*HEADER    MEMBRANE PROTEIN                        24-AUG-18   6HH0              
*TITLE     YEAST V-ATPASE TRANSMEMBRANE HELIX 7 NMR STRUCTURE IN DPC MICELLES    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: V-TYPE PROTON ATPASE SUBUNIT A, VACUOLAR ISOFORM;          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: TRANSMEMBRANE HELIX 7;                                     
*COMPND   5 SYNONYM: V-ATPASE A 1 SUBUNIT,V-ATPASE 95 KDA SUBUNIT,VACUOLAR PH    
*COMPND   6 PROTEIN 1,VACUOLAR PROTON PUMP A SUBUNIT,VACUOLAR PROTON             
*COMPND   7 TRANSLOCATING ATPASE SUBUNIT A 1;                                    
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST;                                      
*SOURCE   4 ORGANISM_TAXID: 4932;                                                
*SOURCE   5 GENE: VPH1, YOR270C;                                                 
*SOURCE   6 EXPRESSION_SYSTEM: SYNTHETIC CONSTRUCT;                              
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 32630                                       
*KEYWDS    ATPASSE, TRANSMEMBRANE HELIX, DPC MICELLE, NMR SPECTROSCOPY, MEMBRANE 
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    K.ZANGGER,W.HOHLWEG,G.WAGNER                                          
*REVDAT   1   12-SEP-18 6HH0    0                                                
# Restraints file 1: noe3.tbl
!assign (resid 10 and name HE) (resid 7 and name HA) 6.000 4.2 0.0 ! 	 TM7_NOESY_NHSQC_2012_02_02zk.1
!assign (resid 10 and name HE) (resid 7 and name HB#) 6.000 4.2 0.0 ! 	 TM7_NOESY_NHSQC_2012_02_02zk.2
assign (resid 10 and name HE) (resid 10 and name HB#) 6.000 4.2 0.0 ! 	 TM7_NOESY_NHSQC_2012_02_02zk.5
assign (resid 10 and name HE) (resid 10 and name HG#) 6.000 4.2 0.0 ! 	 TM7_NOESY_NHSQC_2012_02_02zk.6
assign (resid 10 and name HN) (resid 10 and name HB#) 6.000 4.2 0.0 ! 	 TM7_NOESY_NHSQC_2012_02_02zk.11
assign (resid 10 and name HN) (resid 10 and name HB#) 6.000 4.2 0.0 ! 	 TM7_NOESY_NHSQC_2012_02_02zk.12
assign (resid 10 and name HN) (resid 11 and name HA) 6.000 4.2 0.0 ! 	 TM7_NOESY_NHSQC_2012_02_02zk.15
assign (resid 10 and name HE) (resid 11 and name HD##) 6.000 4.2 0.0 ! 	 TM7_NOESY_NHSQC_2012_02_02zk.8
assign (resid 10 and name HN) (resid 11 and name HD##) 6.000 4.2 0.0 ! 	 TM7_NOESY_NHSQC_2012_02_02zk.9
assign (resid 10 and name HN) (resid 11 and name HN) 6.000 4.2 0.0 ! 	 TM7_NOESY_NHSQC_2012_02_02zk.16
assign (resid 10 and name HE) (resid 12 and name HB#) 6.000 4.2 0.0 ! 	 TM7_NOESY_NHSQC_2012_02_02zk.3
assign (resid 10 and name HE) (resid 12 and name HB#) 6.000 4.2 0.0 ! 	 TM7_NOESY_NHSQC_2012_02_02zk.4
assign (resid 10 and name HN) (resid 12 and name HB#) 6.000 4.2 0.0 ! 	 TM7_NOESY_NHSQC_2012_02_02zk.13
assign (resid 10 and name HN) (resid 12 and name HB#) 6.000 4.2 0.0 ! 	 TM7_NOESY_NHSQC_2012_02_02zk.14
assign (resid 10 and name HE) (resid 12 and name HZ3) 6.000 4.2 0.0 ! 	 TM7_NOESY_NHSQC_2012_02_02zk.0
assign (resid 10 and name HE) (resid 13 and name HB#) 6.000 4.2 0.0 ! 	 TM7_NOESY_NHSQC_2012_02_02zk.7
assign (resid 10 and name HN) (resid 13 and name HB#) 6.000 4.2 0.0 ! 	 TM7_NOESY_NHSQC_2012_02_02zk.10
# Restraints file 2: noe1.tbl
assign (resid 1 and name HA) (resid 1 and name HB#) 3.353 1.553 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.313
assign (resid 2 and name HA) (resid 2 and name HB#) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.98
assign (resid 2 and name HA) (resid 2 and name HB#) 3.280 1.48 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.317
assign (resid 2 and name HB#) (resid 2 and name HA) 4.516 2.716 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.389
assign (resid 2 and name HB#) (resid 2 and name HA) 4.959 2.159 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.390
assign (resid 2 and name HA) (resid 2 and name HE#) 3.656 1.856 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.99
assign (resid 2 and name HE#) (resid 2 and name HB#) 3.723 1.923 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.299
!assign (resid 2 and name HA) (resid 2 and name HG#) 3.431 1.631 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.321
assign (resid 2 and name HG#) (resid 2 and name HB#) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.281
assign (resid 2 and name HB#) (resid 2 and name HG#) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.289
assign (resid 2 and name HE#) (resid 2 and name HG#) 4.576 2.776 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.296
assign (resid 2 and name HA) (resid 2 and name HN) 3.800 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.26
assign (resid 2 and name HB#) (resid 2 and name HN) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.54
assign (resid 2 and name HB#) (resid 2 and name HN) 3.469 1.669 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.55
assign (resid 2 and name HG#) (resid 2 and name HN) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.56
assign (resid 2 and name HB#) (resid 2 and name HZ1) 4.444 2.644 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.288
assign (resid 2 and name HA) (resid 3 and name HN) 4.107 2.307 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.239
assign (resid 2 and name HB#) (resid 3 and name HN) 4.006 2.206 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.365
assign (resid 2 and name HG#) (resid 3 and name HN) 3.718 1.918 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.366
assign (resid 3 and name HA) (resid 3 and name HN) 4.006 2.206 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.240
assign (resid 3 and name HB#) (resid 3 and name HN) 4.273 2.473 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.27
assign (resid 3 and name HB#) (resid 3 and name HN) 4.302 2.502 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.28
assign (resid 4 and name HB#) (resid 2 and name HN) 4.323 2.523 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.213
assign (resid 3 and name HA) (resid 4 and name HN) 4.694 2.894 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.236
assign (resid 3 and name HB#) (resid 4 and name HN) 4.097 2.297 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.368
assign (resid 3 and name HB#) (resid 4 and name HN) 4.324 2.524 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.369
assign (resid 4 and name HA) (resid 4 and name HD#) 4.694 2.894 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.256
assign (resid 4 and name HB#) (resid 4 and name HD#) 4.074 2.274 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.223
assign (resid 4 and name HB#) (resid 4 and name HD#) 4.634 2.834 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.225
assign (resid 4 and name HA) (resid 4 and name HN) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.4
assign (resid 4 and name HB#) (resid 4 and name HN) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.2
assign (resid 4 and name HB#) (resid 4 and name HN) 4.721 2.921 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.3
assign (resid 5 and name HB) (resid 2 and name HN) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.9
assign (resid 5 and name HG#) (resid 2 and name HN) 4.493 2.693 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.174
assign (resid 4 and name HA) (resid 5 and name HN) 4.133 1.833 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.242
assign (resid 4 and name HB#) (resid 5 and name HN) 4.205 2.405 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.212
assign (resid 5 and name HB) (resid 5 and name HA) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.10
assign (resid 5 and name HG#) (resid 5 and name HA) 4.831 2.031 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.393
assign (resid 5 and name HG#) (resid 5 and name HB) 4.254 2.454 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.394
assign (resid 5 and name HA) (resid 5 and name HG2#) 4.120 2.32 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.11
assign (resid 5 and name HB) (resid 5 and name HG2#) 3.927 2.127 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.12
assign (resid 5 and name HA) (resid 5 and name HN) 3.716 1.916 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.8
assign (resid 5 and name HB) (resid 6 and name HN) 3.989 2.189 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.235
assign (resid 5 and name HG#) (resid 6 and name HN) 4.020 2.22 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.173
assign (resid 5 and name HN) (resid 6 and name HN) 3.284 1.484 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.132
assign (resid 6 and name HA) (resid 6 and name HB#) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.7
assign (resid 6 and name HB#) (resid 6 and name HA) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.51
assign (resid 6 and name HA) (resid 6 and name HN) 3.746 1.946 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.6
assign (resid 6 and name HN) (resid 6 and name HA) 3.595 1.795 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.52
assign (resid 6 and name HB#) (resid 6 and name HN) 3.699 1.899 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.5
assign (resid 6 and name HN) (resid 6 and name HB#) 4.437 2.637 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.53
assign (resid 7 and name HB#) (resid 4 and name HA) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.381
assign (resid 4 and name HA) (resid 7 and name HN) 4.764 2.964 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.243
assign (resid 5 and name HG#) (resid 7 and name HN) 4.072 2.272 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.175
assign (resid 7 and name HN) (resid 6 and name HN) 3.401 1.601 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.133
assign (resid 7 and name HA) (resid 7 and name HB#) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.245
assign (resid 7 and name HB#) (resid 7 and name HA) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.371
assign (resid 7 and name HB#) (resid 7 and name HN) 3.366 1.566 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.244
assign (resid 4 and name HB#) (resid 8 and name HD#) 5.614 3.814 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.229
assign (resid 4 and name HB#) (resid 8 and name HD#) 4.856 2.056 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.230
assign (resid 12 and name HB#) (resid 8 and name HE#) 5.271 2.471 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.233
assign (resid 8 and name HB#) (resid 5 and name HA) 3.795 1.995 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.290
assign (resid 5 and name HB) (resid 8 and name HD#) 4.471 2.671 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.270
assign (resid 5 and name HG#) (resid 8 and name HD#) 4.943 2.143 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.194
assign (resid 5 and name HA) (resid 8 and name HE#) 4.919 3.119 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.260
assign (resid 6 and name HB#) (resid 8 and name HD#) 4.736 2.936 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.195
assign (resid 8 and name HA) (resid 8 and name HB#) 4.365 2.565 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.95
assign (resid 8 and name HA) (resid 8 and name HB#) 4.188 2.388 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.96
assign (resid 8 and name HA) (resid 8 and name HD#) 4.608 2.808 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.264
assign (resid 8 and name HB#) (resid 8 and name HD#) 5.229 3.429 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.227
assign (resid 8 and name HB#) (resid 8 and name HD#) 4.755 2.955 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.228
assign (resid 8 and name HA) (resid 8 and name HE#) 5.337 3.537 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.262
assign (resid 8 and name HB#) (resid 8 and name HE#) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.231
assign (resid 8 and name HB#) (resid 8 and name HE#) 5.311 3.511 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.232
assign (resid 8 and name HE#) (resid 8 and name HD#) 4.084 2.284 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.69
assign (resid 8 and name HD#) (resid 8 and name HE#) 3.275 1.475 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.74
assign (resid 8 and name HA) (resid 8 and name HN) 4.137 2.337 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.247
assign (resid 8 and name HB#) (resid 8 and name HN) 3.849 2.049 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.216
assign (resid 8 and name HB#) (resid 8 and name HN) 3.792 1.992 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.217
assign (resid 8 and name HD#) (resid 8 and name HN) 4.291 2.491 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.141
assign (resid 9 and name HA) (resid 8 and name HD#) 5.058 3.258 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.271
assign (resid 9 and name HA) (resid 8 and name HE#) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.261
assign (resid 9 and name HB#) (resid 8 and name HD#) 5.363 3.563 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.203
assign (resid 9 and name HB#) (resid 8 and name HE#) 4.125 2.325 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.204
!assign (resid 9 and name HD##) (resid 8 and name HD#) 4.207 2.407 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.165
!assign (resid 9 and name HD##) (resid 8 and name HE#) 4.628 2.828 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.171
assign (resid 8 and name HB#) (resid 9 and name HN) 3.864 2.064 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.214
assign (resid 8 and name HB#) (resid 9 and name HN) 4.758 2.958 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.215
assign (resid 8 and name HD#) (resid 9 and name HN) 4.018 2.218 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.142
assign (resid 9 and name HD##) (resid 9 and name HA) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.395
assign (resid 9 and name HA) (resid 9 and name HG) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.311
assign (resid 9 and name HA) (resid 9 and name HN) 3.735 1.935 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.254
assign (resid 9 and name HD##) (resid 9 and name HN) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.163
assign (resid 10 and name HB#) (resid 7 and name HA) 4.725 2.925 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.407
assign (resid 8 and name HD#) (resid 10 and name HE) 5.876 4.076 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.336
assign (resid 10 and name HB#) (resid 10 and name HA) 3.288 1.488 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.397
assign (resid 10 and name HB#) (resid 10 and name HA) 3.310 1.51 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.398
assign (resid 10 and name HD#) (resid 10 and name HB#) 3.946 2.146 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.409
assign (resid 10 and name HA) (resid 10 and name HE) 4.594 2.794 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.334
assign (resid 10 and name HB#) (resid 10 and name HE) 5.390 3.59 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.330
assign (resid 10 and name HB#) (resid 10 and name HE) 4.267 2.467 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.331
!assign (resid 10 and name HD#) (resid 10 and name HE) 4.977 2.177 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.38
assign (resid 10 and name HG#) (resid 10 and name HA) 3.529 1.729 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.396
assign (resid 10 and name HG#) (resid 10 and name HE) 4.342 2.542 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.332
assign (resid 10 and name HH11) (resid 10 and name HE) 3.900 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.278
assign (resid 10 and name HA) (resid 10 and name HN) 3.833 2.033 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.343
assign (resid 10 and name HB#) (resid 10 and name HN) 3.985 2.185 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.345
assign (resid 10 and name HD#) (resid 10 and name HN) 4.390 2.59 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.344
!assign (resid 7 and name HA) (resid 11 and name HG) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.315
assign (resid 8 and name HA) (resid 11 and name HB#) 3.456 1.656 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.312
assign (resid 8 and name HA) (resid 11 and name HB#) 3.277 1.477 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.323
assign (resid 11 and name HB#) (resid 8 and name HA) 4.665 2.865 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.405
assign (resid 11 and name HB#) (resid 8 and name HD#) 4.172 2.372 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.196
assign (resid 11 and name HB#) (resid 8 and name HE#) 5.659 3.859 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.199
assign (resid 11 and name HD##) (resid 8 and name HD#) 4.327 2.127 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.167
assign (resid 11 and name HD##) (resid 8 and name HE#) 3.787 2.987 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.169
assign (resid 11 and name HG) (resid 8 and name HD#) 4.824 3.024 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.201
assign (resid 11 and name HD##) (resid 10 and name HE) 4.356 2.556 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.333
assign (resid 10 and name HA) (resid 11 and name HN) 4.429 2.629 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.339
assign (resid 10 and name HB#) (resid 11 and name HN) 3.771 1.971 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.337
assign (resid 10 and name HB#) (resid 11 and name HN) 4.144 2.344 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.338
assign (resid 11 and name HN) (resid 10 and name HN) 3.574 1.774 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.346
assign (resid 11 and name HA) (resid 11 and name HB#) 3.334 1.534 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.306
assign (resid 11 and name HA) (resid 11 and name HB#) 4.554 2.754 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.322
assign (resid 11 and name HB#) (resid 11 and name HA) 3.954 2.154 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.406
assign (resid 11 and name HA) (resid 11 and name HD##) 3.888 2.088 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.325
assign (resid 11 and name HD##) (resid 11 and name HA) 4.729 2.929 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.392
assign (resid 11 and name HD##) (resid 11 and name HB#) 4.158 2.358 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.280
assign (resid 11 and name HA) (resid 11 and name HG) 4.073 2.273 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.305
assign (resid 11 and name HA) (resid 11 and name HN) 4.570 2.77 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.32
assign (resid 11 and name HB#) (resid 11 and name HN) 3.858 2.058 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.62
assign (resid 11 and name HB#) (resid 11 and name HN) 4.389 2.589 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.185
assign (resid 11 and name HD##) (resid 11 and name HN) 4.812 2.012 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.118
assign (resid 11 and name HG) (resid 11 and name HN) 3.766 1.966 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.186
assign (resid 8 and name HB#) (resid 12 and name HA) 3.857 2.057 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.376
assign (resid 8 and name HB#) (resid 12 and name HA) 4.260 2.46 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.377
assign (resid 12 and name HB#) (resid 8 and name HD#) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.348
assign (resid 12 and name HB#) (resid 8 and name HE#) 5.253 3.453 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.347
assign (resid 12 and name HD#) (resid 8 and name HE#) 4.062 2.262 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.279
assign (resid 12 and name HB#) (resid 9 and name HA) 3.741 1.941 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.372
assign (resid 12 and name HB#) (resid 9 and name HA) 4.264 2.464 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.373
assign (resid 9 and name HA) (resid 12 and name HD#) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.272
assign (resid 9 and name HG) (resid 12 and name HD#) 4.590 2.79 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.193
assign (resid 9 and name HA) (resid 12 and name HE3) 5.715 3.915 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.257
assign (resid 9 and name HD##) (resid 12 and name HE3) 3.414 2.614 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.162
assign (resid 9 and name HA) (resid 12 and name HN) 3.019 2.219 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.124
!assign (resid 9 and name HA) (resid 12 and name HZ3) 4.484 2.684 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.275
!assign (resid 9 and name HB#) (resid 12 and name HZ3) 4.637 2.837 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.355
!assign (resid 9 and name HD##) (resid 12 and name HZ3) 4.763 2.963 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.170
assign (resid 12 and name HZ3) (resid 10 and name HE) 3.603 2.803 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.335
assign (resid 12 and name HA) (resid 11 and name HN) 4.304 2.504 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.342
assign (resid 12 and name HB#) (resid 11 and name HN) 4.327 2.527 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.340
assign (resid 12 and name HB#) (resid 11 and name HN) 3.740 1.94 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.341
assign (resid 11 and name HB#) (resid 12 and name HD#) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.202
assign (resid 11 and name HD##) (resid 12 and name HD#) 4.946 3.146 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.353
assign (resid 11 and name HG) (resid 12 and name HD#) 4.178 2.378 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.200
assign (resid 11 and name HB#) (resid 12 and name HE3) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.187
assign (resid 11 and name HD##) (resid 12 and name HE3) 4.430 2.63 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.161
assign (resid 11 and name HA) (resid 12 and name HN) 4.611 2.811 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.125
assign (resid 11 and name HB#) (resid 12 and name HN) 4.158 2.358 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.129
assign (resid 11 and name HB#) (resid 12 and name HN) 4.026 2.226 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.131
assign (resid 11 and name HD##) (resid 12 and name HN) 4.128 2.328 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.101
assign (resid 11 and name HG) (resid 12 and name HN) 3.614 1.814 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.130
assign (resid 11 and name HN) (resid 12 and name HN) 4.020 2.22 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.121
assign (resid 11 and name HD##) (resid 12 and name HZ3) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.168
assign (resid 12 and name HA) (resid 12 and name HB#) 3.756 1.956 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.93
assign (resid 12 and name HA) (resid 12 and name HB#) 4.142 2.342 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.94
assign (resid 12 and name HB#) (resid 12 and name HA) 4.059 2.259 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.374
assign (resid 12 and name HB#) (resid 12 and name HA) 3.978 2.178 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.375
assign (resid 12 and name HA) (resid 12 and name HD#) 4.124 2.324 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.263
assign (resid 12 and name HB#) (resid 12 and name HD#) 4.368 2.568 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.224
assign (resid 12 and name HB#) (resid 12 and name HD#) 4.098 2.298 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.226
assign (resid 12 and name HD#) (resid 12 and name HE#) 3.401 1.601 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.63
assign (resid 12 and name HE#) (resid 12 and name HD#) 3.679 1.879 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.64
assign (resid 12 and name HA) (resid 12 and name HE3) 4.635 2.835 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.258
assign (resid 12 and name HB#) (resid 12 and name HE3) 4.563 2.763 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.218
assign (resid 12 and name HB#) (resid 12 and name HE3) 4.856 3.056 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.219
assign (resid 12 and name HE3) (resid 12 and name HD#) 4.929 2.129 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.135
assign (resid 12 and name HH2) (resid 12 and name HE3) 4.635 2.335 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.67
assign (resid 12 and name HA) (resid 12 and name HN) 4.236 2.436 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.48
assign (resid 12 and name HB#) (resid 12 and name HN) 4.425 2.625 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.127
assign (resid 12 and name HB#) (resid 12 and name HN) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.128
assign (resid 12 and name HD#) (resid 12 and name HN) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.123
assign (resid 12 and name HE3) (resid 12 and name HN) 4.734 2.934 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.122
assign (resid 12 and name HZ2) (resid 12 and name HD#) 4.897 3.097 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.134
assign (resid 12 and name HZ2) (resid 12 and name HE#) 4.344 2.544 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.277
assign (resid 12 and name HH2) (resid 12 and name HZ2) 4.267 2.467 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.68
assign (resid 12 and name HZ2) (resid 12 and name HH2) 3.603 1.803 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.70
!assign (resid 12 and name HA) (resid 12 and name HZ3) 3.844 2.044 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.273
assign (resid 12 and name HB#) (resid 12 and name HZ3) 4.584 2.784 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.363
assign (resid 12 and name HB#) (resid 12 and name HZ3) 4.946 3.146 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.364
assign (resid 12 and name HZ3) (resid 12 and name HE3) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.65
assign (resid 12 and name HE3) (resid 12 and name HZ3) 3.664 1.864 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.72
assign (resid 12 and name HZ3) (resid 12 and name HH2) 4.064 2.264 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.71
assign (resid 12 and name HZ3) (resid 12 and name HH2) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.75
assign (resid 12 and name HH2) (resid 12 and name HZ3) 3.723 1.923 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.76
!assign (resid 12 and name HZ3) (resid 12 and name HZ2) 3.941 2.141 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.66
!assign (resid 12 and name HZ2) (resid 12 and name HZ3) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.73
assign (resid 9 and name HA) (resid 13 and name HN) 4.903 3.103 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.237
assign (resid 9 and name HG) (resid 13 and name HN) 4.753 2.953 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.176
assign (resid 10 and name HA) (resid 13 and name HB#) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.309
assign (resid 13 and name HB#) (resid 10 and name HA) 3.736 1.936 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.399
!assign (resid 10 and name HA) (resid 13 and name HN) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.370
!assign (resid 11 and name HB#) (resid 13 and name HN) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.177
assign (resid 13 and name HA) (resid 12 and name HE3) 4.767 2.967 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.220
assign (resid 13 and name HA) (resid 12 and name HN) 4.569 2.769 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.126
assign (resid 13 and name HA) (resid 12 and name HZ3) 5.209 3.409 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.234
assign (resid 13 and name HB#) (resid 12 and name HD#) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.192
assign (resid 13 and name HB#) (resid 12 and name HE3) 4.347 2.547 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.188
assign (resid 13 and name HB#) (resid 12 and name HH2) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.351
assign (resid 13 and name HB#) (resid 12 and name HN) 4.390 2.59 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.367
assign (resid 13 and name HB#) (resid 12 and name HZ3) 4.780 2.98 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.197
assign (resid 12 and name HA) (resid 13 and name HN) 3.651 1.851 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.238
assign (resid 12 and name HB#) (resid 13 and name HN) 4.309 2.509 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.210
assign (resid 12 and name HB#) (resid 13 and name HN) 4.440 2.64 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.211
!assign (resid 12 and name HD#) (resid 13 and name HN) 4.919 2.119 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.136
assign (resid 12 and name HE3) (resid 13 and name HN) 3.521 1.721 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.138
assign (resid 12 and name HN) (resid 13 and name HN) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.140
assign (resid 13 and name HA) (resid 13 and name HB#) 4.815 3.015 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.47
assign (resid 13 and name HB#) (resid 13 and name HA) 4.238 2.438 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.77
assign (resid 13 and name HA) (resid 13 and name HN) 4.397 2.597 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.46
assign (resid 13 and name HB#) (resid 13 and name HN) 3.360 1.56 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.45
assign (resid 11 and name HA) (resid 14 and name HN) 3.390 1.59 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.246
assign (resid 14 and name HN) (resid 12 and name HN) 4.273 2.473 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.139
assign (resid 14 and name HB#) (resid 13 and name HN) 3.925 2.125 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.178
assign (resid 14 and name HD##) (resid 13 and name HN) 4.296 2.496 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.100
assign (resid 13 and name HA) (resid 14 and name HN) 4.633 2.833 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.241
assign (resid 13 and name HB#) (resid 14 and name HN) 3.321 1.521 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.180
assign (resid 14 and name HD##) (resid 14 and name HN) 4.217 2.417 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.102
assign (resid 11 and name HA) (resid 15 and name HN) 3.908 1.708 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.252
assign (resid 15 and name HB#) (resid 12 and name HD#) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.266
assign (resid 13 and name HA) (resid 15 and name HN) 3.977 2.177 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.249
assign (resid 15 and name HA) (resid 15 and name HN) 3.402 1.602 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.49
assign (resid 15 and name HB#) (resid 15 and name HN) 4.169 2.369 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.50
assign (resid 16 and name HA) (resid 12 and name HD#) 4.452 2.652 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.276
assign (resid 16 and name HD##) (resid 12 and name HD#) 5.238 3.438 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.112
assign (resid 16 and name HD##) (resid 12 and name HD#) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.115
assign (resid 16 and name HD##) (resid 12 and name HE3) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.108
assign (resid 16 and name HD##) (resid 12 and name HE3) 4.825 3.025 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.110
assign (resid 16 and name HD##) (resid 12 and name HH2) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.113
assign (resid 16 and name HD##) (resid 12 and name HH2) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.116
assign (resid 16 and name HD##) (resid 12 and name HZ3) 5.057 3.257 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.114
assign (resid 16 and name HD##) (resid 12 and name HZ3) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.117
assign (resid 13 and name HA) (resid 16 and name HB#) 3.664 1.864 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.304
assign (resid 13 and name HA) (resid 16 and name HB#) 3.542 1.742 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.324
assign (resid 13 and name HA) (resid 16 and name HD##) 4.700 2.9 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.328
assign (resid 13 and name HA) (resid 16 and name HD##) 4.665 2.865 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.329
assign (resid 16 and name HD##) (resid 13 and name HA) 5.829 4.029 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.386
assign (resid 13 and name HA) (resid 16 and name HN) 4.758 2.958 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.250
assign (resid 15 and name HA) (resid 16 and name HN) 4.006 2.206 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.159
assign (resid 15 and name HB#) (resid 16 and name HN) 3.792 1.992 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.253
assign (resid 15 and name HN) (resid 16 and name HN) 4.345 2.545 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.146
assign (resid 16 and name HA) (resid 16 and name HD##) 4.414 2.614 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.326
assign (resid 16 and name HA) (resid 16 and name HD##) 4.904 3.104 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.327
assign (resid 16 and name HD##) (resid 16 and name HA) 4.426 2.626 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.387
assign (resid 16 and name HD##) (resid 16 and name HA) 4.942 3.142 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.388
assign (resid 16 and name HB#) (resid 16 and name HD##) 4.255 2.455 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.39
assign (resid 16 and name HB#) (resid 16 and name HD##) 4.046 2.246 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.40
assign (resid 16 and name HB#) (resid 16 and name HD##) 4.345 2.545 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.41
assign (resid 16 and name HB#) (resid 16 and name HD##) 4.680 2.88 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.42
assign (resid 16 and name HD##) (resid 16 and name HB#) 3.746 1.946 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.88
assign (resid 16 and name HD##) (resid 16 and name HB#) 3.481 1.681 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.89
assign (resid 16 and name HD##) (resid 16 and name HB#) 3.316 1.516 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.90
assign (resid 16 and name HD##) (resid 16 and name HB#) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.91
assign (resid 16 and name HA) (resid 16 and name HN) 3.632 1.832 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.44
assign (resid 16 and name HB#) (resid 16 and name HN) 3.431 1.631 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.184
assign (resid 16 and name HD##) (resid 16 and name HN) 4.733 2.933 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.43
assign (resid 16 and name HD##) (resid 16 and name HN) 5.209 3.409 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.105
assign (resid 16 and name HD##) (resid 16 and name HN) 5.161 3.361 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.107
assign (resid 13 and name HA) (resid 17 and name HN) 4.512 2.712 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.248
assign (resid 16 and name HA) (resid 17 and name HN) 3.857 2.057 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.251
assign (resid 16 and name HD##) (resid 17 and name HN) 4.957 2.157 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.103
assign (resid 16 and name HD##) (resid 17 and name HN) 4.435 2.635 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.106
assign (resid 17 and name HN) (resid 16 and name HN) 3.867 2.067 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.144
assign (resid 17 and name HA) (resid 17 and name HB#) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.310
assign (resid 17 and name HB#) (resid 17 and name HA) 4.086 2.286 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.400
assign (resid 17 and name HA) (resid 17 and name HN) 3.478 1.678 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.31
assign (resid 17 and name HB#) (resid 17 and name HN) 4.899 2.099 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.57
assign (resid 18 and name HB#) (resid 15 and name HA) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.380
assign (resid 15 and name HB#) (resid 18 and name HD#) 4.463 2.663 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.259
assign (resid 18 and name HN) (resid 16 and name HN) 4.035 2.235 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.145
assign (resid 18 and name HA) (resid 17 and name HB#) 4.450 2.65 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.319
assign (resid 17 and name HA) (resid 18 and name HD#) 4.839 2.039 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.265
assign (resid 17 and name HB#) (resid 18 and name HD#) 5.813 4.013 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.190
assign (resid 17 and name HB#) (resid 18 and name HN) 4.155 2.355 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.179
!assign (resid 18 and name HA) (resid 18 and name HB#) 4.841 2.041 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.36
!assign (resid 18 and name HA) (resid 18 and name HB#) 3.402 1.602 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.37
!assign (resid 18 and name HB#) (resid 18 and name HA) 3.968 2.168 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.378
!assign (resid 18 and name HB#) (resid 18 and name HA) 4.237 2.437 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.379
assign (resid 18 and name HA) (resid 18 and name HD#) 4.532 2.732 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.269
assign (resid 18 and name HB#) (resid 18 and name HD#) 4.681 2.881 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.221
assign (resid 18 and name HB#) (resid 18 and name HD#) 3.514 1.714 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.222
!assign (resid 18 and name HD#) (resid 18 and name HE#) 3.532 1.732 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.137
assign (resid 18 and name HA) (resid 18 and name HN) 3.926 2.126 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.33
assign (resid 18 and name HB#) (resid 18 and name HN) 3.433 1.633 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.34
assign (resid 18 and name HB#) (resid 18 and name HN) 3.558 1.758 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.35
assign (resid 18 and name HD#) (resid 18 and name HN) 4.603 2.803 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.143
assign (resid 16 and name HD##) (resid 19 and name HN) 4.850 3.05 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.104
assign (resid 19 and name HA) (resid 18 and name HD#) 4.067 2.267 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.268
!assign (resid 18 and name HA) (resid 19 and name HB#) 3.727 1.927 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.318
assign (resid 19 and name HB#) (resid 18 and name HD#) 4.639 2.839 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.191
assign (resid 18 and name HA) (resid 19 and name HN) 3.905 1.605 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.151
assign (resid 18 and name HB#) (resid 19 and name HN) 4.690 2.89 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.152
assign (resid 18 and name HB#) (resid 19 and name HN) 4.734 2.934 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.153
assign (resid 18 and name HN) (resid 19 and name HN) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.150
!assign (resid 19 and name HA) (resid 19 and name HB#) 3.319 1.519 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.22
assign (resid 19 and name HB#) (resid 19 and name HA) 3.510 1.71 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.408
assign (resid 19 and name HA) (resid 19 and name HN) 3.569 1.769 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.23
assign (resid 19 and name HB#) (resid 19 and name HN) 3.968 2.168 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.24
assign (resid 16 and name HD##) (resid 20 and name HE21) 5.274 3.474 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.109
assign (resid 16 and name HD##) (resid 20 and name HE21) 5.051 3.251 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.111
assign (resid 16 and name HD##) (resid 20 and name HE21) 5.927 4.127 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.352
assign (resid 17 and name HA) (resid 20 and name HB#) 4.571 2.771 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.302
assign (resid 17 and name HA) (resid 20 and name HB#) 3.423 1.623 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.303
assign (resid 20 and name HB#) (resid 17 and name HA) 4.255 2.455 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.401
assign (resid 20 and name HB#) (resid 17 and name HA) 4.286 2.486 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.402
assign (resid 17 and name HA) (resid 20 and name HG#) 4.994 2.194 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.300
assign (resid 17 and name HA) (resid 20 and name HG#) 4.238 2.438 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.301
assign (resid 20 and name HG#) (resid 17 and name HA) 4.402 2.602 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.403
assign (resid 20 and name HG#) (resid 17 and name HA) 4.623 2.823 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.404
assign (resid 20 and name HB#) (resid 18 and name HN) 4.415 2.615 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.360
assign (resid 20 and name HG#) (resid 18 and name HD#) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.349
assign (resid 20 and name HB#) (resid 19 and name HN) 4.630 2.83 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.359
assign (resid 19 and name HA) (resid 20 and name HE21) 5.481 3.681 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.267
assign (resid 19 and name HB#) (resid 20 and name HE21) 4.230 2.43 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.189
assign (resid 19 and name HB#) (resid 20 and name HE21) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.198
assign (resid 19 and name HB#) (resid 20 and name HN) 3.500 1.7 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.182
assign (resid 20 and name HN) (resid 19 and name HN) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.149
assign (resid 20 and name HA) (resid 20 and name HB#) 3.960 2.16 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.20
assign (resid 20 and name HA) (resid 20 and name HB#) 3.739 1.939 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.21
assign (resid 20 and name HB#) (resid 20 and name HA) 5.206 3.406 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.384
assign (resid 20 and name HB#) (resid 20 and name HA) 3.944 2.144 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.385
assign (resid 20 and name HA) (resid 20 and name HE21) 4.262 2.462 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.274
assign (resid 20 and name HB#) (resid 20 and name HE21) 5.560 3.76 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.350
assign (resid 20 and name HB#) (resid 20 and name HE21) 4.522 2.722 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.354
assign (resid 20 and name HA) (resid 20 and name HG#) 4.462 2.662 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.18
assign (resid 20 and name HA) (resid 20 and name HG#) 4.599 2.799 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.19
assign (resid 20 and name HG#) (resid 20 and name HA) 3.953 2.153 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.382
assign (resid 20 and name HG#) (resid 20 and name HA) 4.416 2.616 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.383
!assign (resid 20 and name HB#) (resid 20 and name HG#) 4.836 2.036 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.78
!assign (resid 20 and name HB#) (resid 20 and name HG#) 4.068 2.268 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.79
!assign (resid 20 and name HB#) (resid 20 and name HG#) 3.909 2.109 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.81
assign (resid 20 and name HB#) (resid 20 and name HG#) 3.947 2.147 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.82
assign (resid 20 and name HG#) (resid 20 and name HB#) 3.716 1.916 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.84
assign (resid 20 and name HG#) (resid 20 and name HB#) 3.532 1.732 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.85
assign (resid 20 and name HG#) (resid 20 and name HB#) 3.699 1.899 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.86
assign (resid 20 and name HG#) (resid 20 and name HB#) 3.839 2.039 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.87
assign (resid 20 and name HG#) (resid 20 and name HE21) 6.000 4.2 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.205
assign (resid 20 and name HG#) (resid 20 and name HE21) 5.154 3.354 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.206
assign (resid 20 and name HG#) (resid 20 and name HE21) 4.545 2.745 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.207
assign (resid 20 and name HG#) (resid 20 and name HE21) 4.228 2.428 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.208
assign (resid 20 and name HG#) (resid 20 and name HE21) 5.123 3.323 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.209
assign (resid 20 and name HA) (resid 20 and name HN) 3.516 1.716 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.13
assign (resid 20 and name HB#) (resid 20 and name HN) 3.419 1.619 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.14
assign (resid 20 and name HB#) (resid 20 and name HN) 3.539 1.739 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.15
assign (resid 20 and name HG#) (resid 20 and name HN) 4.539 2.739 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.16
assign (resid 20 and name HG#) (resid 20 and name HN) 3.865 2.065 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.17
assign (resid 21 and name HD##) (resid 18 and name HD#) 4.272 2.472 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.166
assign (resid 21 and name HD##) (resid 19 and name HN) 4.389 2.589 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.154
assign (resid 19 and name HB#) (resid 21 and name HN) 4.011 2.211 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.183
assign (resid 21 and name HD##) (resid 20 and name HE21) 4.737 2.937 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.172
assign (resid 21 and name HG) (resid 20 and name HN) 4.012 2.212 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.164
assign (resid 20 and name HA) (resid 21 and name HN) 3.273 1.473 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.356
assign (resid 20 and name HB#) (resid 21 and name HN) 4.164 2.364 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.119
assign (resid 20 and name HB#) (resid 21 and name HN) 5.927 4.127 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.120
assign (resid 20 and name HG#) (resid 21 and name HN) 4.261 2.461 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.357
assign (resid 20 and name HG#) (resid 21 and name HN) 4.163 2.363 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.358
assign (resid 21 and name HD##) (resid 21 and name HA) 4.386 2.586 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.391
assign (resid 21 and name HA) (resid 21 and name HN) 4.038 2.238 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.255
assign (resid 21 and name HD##) (resid 21 and name HN) 4.287 2.487 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.160
assign (resid 22 and name HA) (resid 22 and name HN) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.30
assign (resid 22 and name HB#) (resid 22 and name HN) 4.715 2.915 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.29
assign (resid 20 and name HA) (resid 23 and name HN) 4.119 2.319 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.157
assign (resid 20 and name HB#) (resid 23 and name HN) 4.400 2.6 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.361
assign (resid 20 and name HG#) (resid 23 and name HN) 4.412 2.612 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.362
assign (resid 21 and name HD##) (resid 23 and name HN) 4.766 2.966 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.155
assign (resid 22 and name HN) (resid 23 and name HN) 3.356 1.556 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.148
assign (resid 23 and name HA) (resid 23 and name HN) 4.613 2.813 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.1
assign (resid 23 and name HB#) (resid 23 and name HN) 4.287 2.487 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.0
assign (resid 24 and name HA) (resid 23 and name HN) 3.318 1.518 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.158
assign (resid 24 and name HB#) (resid 23 and name HN) 4.216 2.416 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.156
assign (resid 24 and name HN) (resid 23 and name HN) 3.894 2.094 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.147
assign (resid 24 and name HA) (resid 24 and name HB#) 3.280 1.48 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.314
assign (resid 24 and name HA) (resid 24 and name HB#) 4.070 2.27 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.316
assign (resid 24 and name HB#) (resid 24 and name HN) 3.241 1.441 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.59
assign (resid 24 and name HG#) (resid 24 and name HN) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.58
assign (resid 25 and name HA) (resid 25 and name HB#) 3.356 1.556 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.307
assign (resid 25 and name HA) (resid 25 and name HB#) 3.295 1.495 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.308
assign (resid 25 and name HA) (resid 25 and name HE#) 3.637 1.837 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.97
assign (resid 25 and name HB#) (resid 25 and name HE#) 3.662 1.862 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.286
assign (resid 25 and name HE#) (resid 25 and name HB#) 3.232 1.432 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.295
assign (resid 25 and name HE#) (resid 25 and name HB#) 3.861 2.061 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.298
!assign (resid 25 and name HA) (resid 25 and name HG#) 3.439 1.639 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.320
assign (resid 25 and name HB#) (resid 25 and name HG#) 3.466 1.666 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.284
assign (resid 25 and name HB#) (resid 25 and name HG#) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.287
assign (resid 25 and name HE#) (resid 25 and name HG#) 4.576 2.776 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.297
assign (resid 25 and name HA) (resid 25 and name HN) 4.298 2.498 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.25
assign (resid 25 and name HB#) (resid 25 and name HN) 3.200 1.4 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.61
assign (resid 25 and name HG#) (resid 25 and name HN) 4.843 2.043 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.60
assign (resid 25 and name HG#) (resid 25 and name HN) 3.615 1.815 1.0 ! 	 TM7_NOESY_newest_2012_02_02zk.181

# Restraints file 3: noe2.tbl
assign (resid 10 and name HA) (resid 7 and name HA) 4.236 2.436 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.42
assign (resid 10 and name HB#) (resid 7 and name HA) 4.113 2.313 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.43
assign (resid 10 and name HD#) (resid 7 and name HA) 4.077 2.277 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.25
assign (resid 10 and name HD#) (resid 7 and name HA) 4.454 2.654 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.31
!assign (resid 10 and name HA) (resid 8 and name HB#) 4.666 2.866 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.41
assign (resid 10 and name HD#) (resid 8 and name HD#) 3.700 1.9 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.24
assign (resid 10 and name HD#) (resid 8 and name HD#) 3.630 1.83 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.30
assign (resid 10 and name HB#) (resid 10 and name HA) 3.481 1.681 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.16
assign (resid 10 and name HB#) (resid 10 and name HA) 3.299 1.499 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.17
assign (resid 10 and name HA) (resid 10 and name HB#) 3.087 1.287 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.38
assign (resid 10 and name HD#) (resid 10 and name HA) 3.872 2.072 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.26
assign (resid 10 and name HD#) (resid 10 and name HA) 3.842 2.042 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.32
assign (resid 10 and name HA) (resid 10 and name HD#) 3.729 1.929 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.37
assign (resid 10 and name HB#) (resid 10 and name HD#) 3.499 1.699 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.18
assign (resid 10 and name HB#) (resid 10 and name HD#) 3.430 1.63 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.19
assign (resid 10 and name HD#) (resid 10 and name HB#) 3.440 1.64 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.27
assign (resid 10 and name HD#) (resid 10 and name HB#) 3.469 1.669 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.33
assign (resid 10 and name HD#) (resid 10 and name HB#) 3.551 1.751 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.34
assign (resid 10 and name HD#) (resid 10 and name HB#) 3.611 1.811 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.35
assign (resid 10 and name HD#) (resid 10 and name HE) 3.317 1.517 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.6
assign (resid 10 and name HD#) (resid 10 and name HE) 3.460 1.66 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.29
assign (resid 10 and name HG#) (resid 10 and name HA) 3.620 1.82 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.12
assign (resid 10 and name HG#) (resid 10 and name HA) 3.469 1.669 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.13
assign (resid 10 and name HA) (resid 10 and name HG#) 2.968 1.168 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.39
assign (resid 10 and name HB#) (resid 10 and name HG#) 3.288 1.488 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.20
assign (resid 10 and name HB#) (resid 10 and name HG#) 3.173 1.373 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.21
assign (resid 10 and name HG#) (resid 10 and name HB#) 3.329 1.529 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.22
assign (resid 10 and name HG#) (resid 10 and name HB#) 3.542 1.742 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.23
assign (resid 10 and name HG#) (resid 10 and name HD#) 2.900 1.1 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.14
assign (resid 10 and name HG#) (resid 10 and name HD#) 3.080 1.28 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.15
assign (resid 10 and name HD#) (resid 10 and name HG#) 2.775 0.975 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.36
assign (resid 10 and name HG#) (resid 10 and name HE) 3.767 1.967 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.9
assign (resid 10 and name HG#) (resid 10 and name HE) 3.721 1.921 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.11
assign (resid 10 and name HA) (resid 10 and name HN) 3.217 1.417 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.0
assign (resid 10 and name HB#) (resid 10 and name HN) 3.503 1.703 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.2
assign (resid 10 and name HB#) (resid 10 and name HN) 3.428 1.628 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.3
assign (resid 10 and name HD#) (resid 10 and name HN) 4.402 2.602 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.1
assign (resid 10 and name HD#) (resid 10 and name HN) 4.417 2.617 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.28
assign (resid 10 and name HG#) (resid 10 and name HN) 4.251 2.451 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.4
assign (resid 10 and name HG#) (resid 10 and name HN) 3.962 2.162 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.10
assign (resid 10 and name HA) (resid 11 and name HN) 3.980 2.18 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.5
assign (resid 10 and name HB#) (resid 11 and name HN) 3.819 2.019 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.7
assign (resid 10 and name HB#) (resid 11 and name HN) 3.937 2.137 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.8
assign (resid 10 and name HA) (resid 13 and name HN) 4.249 2.449 0.0 ! 	 TM7_NOESY_CHSQC_2012_02_02zk.40
# Restraints file 4: noe4.tbl
assign (resid 8 and name HE#) (resid 12 and name HE3) 3.903 1.803 0.0 !
assign (resid 8 and name HE#) (resid 12 and name HZ2) 3.903 1.803 0.0 !
assign (resid 8 and name HE#) (resid 12 and name HD1) 3.903 1.803 0.0 !
assign (resid 10 and name HE) (resid 12 and name HZ3) 3.903 1.803 0.0 !
assign (resid 10 and name HE) (resid 8 and name HD#) 3.903 1.803 0.0 !
!assign (resid 10 and name HD#) (resid 12 and name HH2) 4.603 2.803 0.0 !
assign (resid 10 and name HE) (resid 12 and name HZ3) 4.603 2.803 0.0 !
# Restraints file 5: dihedralTM7.tbl
! H 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   -65.15    30.00  2
assign (resid  4 and name N) (resid  4 and name CA)
       (resid  4 and name C) (resid  5 and name  N) 1.0   -34.88    30.00  2
! S 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   -61.03    50.00  2
assign (resid  7 and name N) (resid  7 and name CA)
       (resid  7 and name C) (resid  8 and name  N) 1.0   -39.62    40.00  2
! Y 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   -63.67    40.00  2
assign (resid  8 and name N) (resid  8 and name CA)
       (resid  8 and name C) (resid  9 and name  N) 1.0   -41.17    30.00  2
! L 9   Phi Psi
assign (resid  8 and name C ) (resid  9 and name N)
       (resid  9 and name CA) (resid  9 and name C) 1.0   -65.94    30.00  2
assign (resid  9 and name N) (resid  9 and name CA)
       (resid  9 and name C) (resid  10 and name  N) 1.0   -39.50    30.00  2
! R 10  Phi Psi
assign (resid  9 and name C ) (resid  10 and name N)
       (resid  10 and name CA) (resid  10 and name C) 1.0   -63.74    30.00  2
assign (resid  10 and name N) (resid  10 and name CA)
       (resid  10 and name C) (resid  11 and name  N) 1.0   -36.76    30.00  2
! L 11  Phi Psi
assign (resid  10 and name C ) (resid  11 and name N)
       (resid  11 and name CA) (resid  11 and name C) 1.0   -67.24    40.00  2
assign (resid  11 and name N) (resid  11 and name CA)
       (resid  11 and name C) (resid  12 and name  N) 1.0   -39.23    40.00  2
! W 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   -62.23    50.00  2
assign (resid  12 and name N) (resid  12 and name CA)
       (resid  12 and name C) (resid  13 and name  N) 1.0   -44.58    50.00  2
! S 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   -64.51    30.00  2
assign (resid  15 and name N) (resid  15 and name CA)
       (resid  15 and name C) (resid  16 and name  N) 1.0   -27.81    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   -63.80    30.00  2
assign (resid  16 and name N) (resid  16 and name CA)
       (resid  16 and name C) (resid  17 and name  N) 1.0   -35.51    30.00  2
! A 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   -62.89    30.00  2
assign (resid  17 and name N) (resid  17 and name CA)
       (resid  17 and name C) (resid  18 and name  N) 1.0   -35.93    30.00  2
# Restraints file 6: hbonds_TM7.tbl
!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: Helix B
assign ( resid 2 and name O   ) ( resid 6 and name hn ) 2.5 0.4 1
assign ( resid 3 and name O   ) ( resid 7 and name hn ) 2.5 0.4 1
assign ( resid 4 and name O   ) ( resid 8 and name hn ) 2.5 0.4 1
assign ( resid 5 and name O   ) ( resid 9 and name hn ) 2.5 0.4 1
assign ( resid 6 and name O   ) ( resid 10 and name hn ) 2.5 0.4 1
assign ( resid 7 and name O   ) ( resid 11 and name hn ) 2.5 0.4 1
assign ( resid 8 and name O   ) ( resid 12 and name hn ) 2.5 0.4 1
assign ( resid 9 and name O   ) ( resid 13 and name hn ) 2.5 0.4 1
assign ( resid 10 and name O   ) ( resid 14 and name hn ) 2.5 0.4 1
assign ( resid 11 and name O   ) ( resid 15 and name hn ) 2.5 0.4 1
assign ( resid 12 and name O   ) ( resid 16 and name hn ) 2.5 0.4 1
assign ( resid 13 and name O   ) ( resid 17 and name hn ) 2.5 0.4 1
assign ( resid 14 and name O   ) ( resid 18 and name hn ) 2.5 0.4 1
assign ( resid 15 and name O   ) ( resid 19 and name hn ) 2.5 0.4 1
assign ( resid 16 and name O   ) ( resid 20 and name hn ) 2.5 0.4 1
assign ( resid 17 and name O   ) ( resid 21 and name hn ) 2.5 0.4 1
assign ( resid 18 and name O   ) ( resid 22 and name hn ) 2.5 0.4 1
assign ( resid 19 and name O   ) ( resid 23 and name hn ) 2.5 0.4 1


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           HT1      LYS   1 -10.764  -6.341  -2.299
    2    H2   LYS   1           HT2      LYS   1 -11.549  -5.010  -3.045
    3    H3   LYS   1           HT3      LYS   1 -11.659  -6.574  -3.742
    4    HA   LYS   1           HA       LYS   1 -12.968  -5.471  -1.385
    5    HB2  LYS   1           HB2      LYS   1 -13.879  -5.712  -3.808
    6    HB3  LYS   1           HB1      LYS   1 -14.018  -7.420  -3.417
    7    HG2  LYS   1           HG2      LYS   1 -15.253  -6.381  -1.281
    8    HG3  LYS   1           HG1      LYS   1 -15.599  -5.121  -2.467
    9    HD2  LYS   1           HD2      LYS   1 -16.602  -6.725  -3.954
   10    HD3  LYS   1           HD1      LYS   1 -16.122  -8.058  -2.903
   11    HE2  LYS   1           HE2      LYS   1 -17.560  -7.142  -1.126
   12    HE3  LYS   1           HE1      LYS   1 -18.069  -5.858  -2.222
   13    HZ1  LYS   1           HZ1      LYS   1 -18.450  -8.746  -2.784
   14    HZ2  LYS   1           HZ2      LYS   1 -19.096  -7.442  -3.646
   15    HZ3  LYS   1           HZ3      LYS   1 -19.631  -7.764  -2.074
   16    H    LYS   2           HN       LYS   2 -11.583  -8.423  -2.693
   17    HA   LYS   2           HA       LYS   2 -11.979  -9.689  -0.064
   18    HB2  LYS   2           HB2      LYS   2 -13.185 -10.507  -2.573
   19    HB3  LYS   2           HB1      LYS   2 -12.058 -11.756  -2.047
   20    HG2  LYS   2           HG2      LYS   2 -13.390 -11.183   0.271
   21    HG3  LYS   2           HG1      LYS   2 -14.650 -10.969  -0.946
   22    HD2  LYS   2           HD2      LYS   2 -14.546 -13.174  -1.630
   23    HD3  LYS   2           HD1      LYS   2 -12.894 -13.386  -1.044
   24    HE2  LYS   2           HE2      LYS   2 -13.649 -13.414   1.236
   25    HE3  LYS   2           HE1      LYS   2 -15.290 -12.999   0.744
   26    HZ1  LYS   2           HZ1      LYS   2 -14.045 -15.436  -0.325
   27    HZ2  LYS   2           HZ2      LYS   2 -15.680 -15.098  -0.052
   28    HZ3  LYS   2           HZ3      LYS   2 -14.661 -15.451   1.251
   29    H    SER   3           HN       SER   3 -10.458 -10.406  -3.226
   30    HA   SER   3           HA       SER   3  -8.116 -11.458  -1.854
   31    HB2  SER   3           HB2      SER   3  -7.375 -12.071  -4.165
   32    HB3  SER   3           HB1      SER   3  -8.937 -12.758  -3.721
   33    HG   SER   3           HG       SER   3  -9.322 -11.912  -5.670
   34    H    HIS   4           HN       HIS   4  -8.830  -8.986  -4.319
   35    HA   HIS   4           HA       HIS   4  -6.259  -7.933  -4.555
   36    HB2  HIS   4           HB2      HIS   4  -8.427  -7.457  -5.923
   37    HB3  HIS   4           HB1      HIS   4  -8.678  -6.169  -4.746
   38    HD1  HIS   4           HD1      HIS   4  -7.408  -4.041  -5.094
   39    HD2  HIS   4           HD2      HIS   4  -5.986  -7.147  -7.459
   40    HE1  HIS   4           HE1      HIS   4  -5.728  -2.991  -6.642
   41    HE2  HIS   4           HE2      HIS   4  -4.804  -4.908  -7.991
   42    H    THR   5           HN       THR   5  -8.503  -7.644  -1.960
   43    HA   THR   5           HA       THR   5  -7.239  -5.243  -0.918
   44    HB   THR   5           HB       THR   5  -9.677  -5.475  -0.729
   45    HG1  THR   5           HG1      THR   5  -8.520  -5.650   1.846
   46   HG21  THR   5          HG21      THR   5  -9.584  -8.008  -0.359
   47   HG22  THR   5          HG22      THR   5 -10.778  -7.072   0.539
   48   HG23  THR   5          HG23      THR   5  -9.297  -7.605   1.334
   49    H    ALA   6           HN       ALA   6  -7.412  -8.690  -0.260
   50    HA   ALA   6           HA       ALA   6  -6.169  -8.738   2.243
   51    HB1  ALA   6           HB1      ALA   6  -5.440 -10.957   0.478
   52    HB2  ALA   6           HB2      ALA   6  -7.171 -10.627   0.545
   53    HB3  ALA   6           HB3      ALA   6  -6.280 -10.969   2.028
   54    H    SER   7           HN       SER   7  -4.590  -9.680  -0.796
   55    HA   SER   7           HA       SER   7  -1.944  -9.302   0.199
   56    HB2  SER   7           HB2      SER   7  -3.195  -9.967  -2.421
   57    HB3  SER   7           HB1      SER   7  -1.557  -9.315  -2.455
   58    HG   SER   7           HG       SER   7  -2.465 -11.610  -1.057
   59    H    TYR   8           HN       TYR   8  -4.161  -6.900  -0.428
   60    HA   TYR   8           HA       TYR   8  -2.349  -5.216  -1.851
   61    HB2  TYR   8           HB2      TYR   8  -4.055  -3.868  -2.159
   62    HB3  TYR   8           HB1      TYR   8  -5.077  -4.961  -1.217
   63    HD1  TYR   8           HD1      TYR   8  -3.759  -4.347   1.536
   64    HD2  TYR   8           HD2      TYR   8  -5.072  -1.869  -1.688
   65    HE1  TYR   8           HE1      TYR   8  -4.022  -2.429   3.077
   66    HE2  TYR   8           HE2      TYR   8  -5.355   0.015  -0.141
   67    HH   TYR   8           HH       TYR   8  -5.667   0.438   2.213
   68    H    LEU   9           HN       LEU   9  -3.022  -5.925   1.509
   69    HA   LEU   9           HA       LEU   9  -1.503  -3.692   2.388
   70    HB2  LEU   9           HB2      LEU   9  -2.899  -5.893   3.678
   71    HB3  LEU   9           HB1      LEU   9  -1.386  -5.492   4.471
   72    HG   LEU   9           HG       LEU   9  -2.730  -3.044   3.936
   73   HD11  LEU   9          HD11      LEU   9  -4.845  -3.268   4.883
   74   HD12  LEU   9          HD12      LEU   9  -4.479  -4.846   5.581
   75   HD13  LEU   9          HD13      LEU   9  -4.718  -4.685   3.841
   76   HD21  LEU   9          HD21      LEU   9  -2.545  -4.392   6.615
   77   HD22  LEU   9          HD22      LEU   9  -2.416  -2.677   6.221
   78   HD23  LEU   9          HD23      LEU   9  -1.109  -3.782   5.791
   79    H    ARG  10           HN       ARG  10  -0.894  -6.371   0.758
   80    HA   ARG  10           HA       ARG  10   1.724  -6.992   1.733
   81    HB2  ARG  10           HB2      ARG  10   0.053  -8.214  -0.443
   82    HB3  ARG  10           HB1      ARG  10   1.602  -8.823   0.104
   83    HG2  ARG  10           HG2      ARG  10  -0.332 -10.060   1.028
   84    HG3  ARG  10           HG1      ARG  10   0.719  -9.367   2.256
   85    HD2  ARG  10           HD2      ARG  10  -1.704  -7.784   1.410
   86    HD3  ARG  10           HD1      ARG  10  -1.919  -9.201   2.432
   87    HE   ARG  10           HE       ARG  10  -0.929  -6.685   3.213
   88   HH11  ARG  10          HH11      ARG  10  -0.544 -10.106   3.794
   89   HH12  ARG  10          HH12      ARG  10   0.069  -9.902   5.400
   90   HH21  ARG  10          HH21      ARG  10  -0.099  -6.414   5.347
   91   HH22  ARG  10          HH22      ARG  10   0.317  -7.810   6.280
   92    H    LEU  11           HN       LEU  11   0.035  -5.534  -0.937
   93    HA   LEU  11           HA       LEU  11   2.458  -4.954  -2.486
   94    HB2  LEU  11           HB2      LEU  11   1.049  -4.963  -4.243
   95    HB3  LEU  11           HB1      LEU  11  -0.186  -5.528  -3.146
   96    HG   LEU  11           HG       LEU  11  -0.067  -2.593  -3.133
   97   HD11  LEU  11          HD11      LEU  11  -0.793  -3.884  -5.754
   98   HD12  LEU  11          HD12      LEU  11   0.752  -3.086  -5.461
   99   HD13  LEU  11          HD13      LEU  11  -0.749  -2.167  -5.355
  100   HD21  LEU  11          HD21      LEU  11  -2.490  -3.096  -3.894
  101   HD22  LEU  11          HD22      LEU  11  -1.979  -3.544  -2.263
  102   HD23  LEU  11          HD23      LEU  11  -2.076  -4.772  -3.529
  103    H    TRP  12           HN       TRP  12  -0.376  -3.294  -1.465
  104    HA   TRP  12           HA       TRP  12   0.310  -0.718  -1.743
  105    HB2  TRP  12           HB2      TRP  12  -1.843  -0.742  -1.336
  106    HB3  TRP  12           HB1      TRP  12  -1.746  -2.262  -0.481
  107    HD1  TRP  12           HD1      TRP  12  -2.729   1.069  -0.060
  108    HE1  TRP  12           HE1      TRP  12  -2.995   1.724   2.439
  109    HE3  TRP  12           HE3      TRP  12  -0.151  -2.750   1.956
  110    HZ2  TRP  12           HZ2      TRP  12  -2.186   0.656   4.948
  111    HZ3  TRP  12           HZ3      TRP  12   0.070  -2.934   4.391
  112    HH2  TRP  12           HH2      TRP  12  -0.914  -1.238   5.868
  113    H    ALA  13           HN       ALA  13   1.594  -2.898   0.546
  114    HA   ALA  13           HA       ALA  13   2.201  -0.978   2.590
  115    HB1  ALA  13           HB1      ALA  13   2.977  -3.836   2.121
  116    HB2  ALA  13           HB2      ALA  13   1.965  -3.161   3.398
  117    HB3  ALA  13           HB3      ALA  13   3.706  -2.881   3.412
  118    H    LEU  14           HN       LEU  14   4.037  -2.661   0.058
  119    HA   LEU  14           HA       LEU  14   6.414  -1.115   0.635
  120    HB2  LEU  14           HB2      LEU  14   7.493  -2.414  -1.039
  121    HB3  LEU  14           HB1      LEU  14   6.480  -3.498  -0.105
  122    HG   LEU  14           HG       LEU  14   4.776  -2.896  -2.111
  123   HD11  LEU  14          HD11      LEU  14   6.063  -2.982  -4.221
  124   HD12  LEU  14          HD12      LEU  14   7.545  -2.761  -3.292
  125   HD13  LEU  14          HD13      LEU  14   6.319  -1.493  -3.312
  126   HD21  LEU  14          HD21      LEU  14   6.914  -5.023  -2.140
  127   HD22  LEU  14          HD22      LEU  14   5.443  -5.038  -3.113
  128   HD23  LEU  14          HD23      LEU  14   5.339  -5.132  -1.355
  129    H    SER  15           HN       SER  15   3.638  -0.753  -1.314
  130    HA   SER  15           HA       SER  15   4.952   1.057  -3.193
  131    HB2  SER  15           HB2      SER  15   3.264  -0.639  -3.969
  132    HB3  SER  15           HB1      SER  15   2.034   0.268  -3.089
  133    HG   SER  15           HG       SER  15   3.478   0.984  -5.386
  134    H    LEU  16           HN       LEU  16   2.156   1.135  -0.978
  135    HA   LEU  16           HA       LEU  16   1.821   3.947  -1.171
  136    HB2  LEU  16           HB2      LEU  16   0.140   2.120  -0.439
  137    HB3  LEU  16           HB1      LEU  16   0.853   2.325   1.150
  138    HG   LEU  16           HG       LEU  16   0.295   4.919   0.407
  139   HD11  LEU  16          HD11      LEU  16  -1.801   3.077  -0.703
  140   HD12  LEU  16          HD12      LEU  16  -0.978   4.417  -1.502
  141   HD13  LEU  16          HD13      LEU  16  -2.156   4.738  -0.230
  142   HD21  LEU  16          HD21      LEU  16  -0.084   4.092   2.605
  143   HD22  LEU  16          HD22      LEU  16  -1.287   2.938   2.031
  144   HD23  LEU  16          HD23      LEU  16  -1.634   4.666   1.991
  145    H    ALA  17           HN       ALA  17   4.167   2.144   0.395
  146    HA   ALA  17           HA       ALA  17   4.495   4.096   2.572
  147    HB1  ALA  17           HB1      ALA  17   4.752   1.649   3.115
  148    HB2  ALA  17           HB2      ALA  17   6.093   2.679   3.601
  149    HB3  ALA  17           HB3      ALA  17   6.251   1.665   2.172
  150    H    HIS  18           HN       HIS  18   6.040   3.098  -0.414
  151    HA   HIS  18           HA       HIS  18   8.502   4.371  -0.078
  152    HB2  HIS  18           HB2      HIS  18   8.749   4.282  -2.473
  153    HB3  HIS  18           HB1      HIS  18   7.968   2.804  -1.929
  154    HD1  HIS  18           HD1      HIS  18   6.520   2.150  -3.826
  155    HD2  HIS  18           HD2      HIS  18   6.197   6.203  -2.968
  156    HE1  HIS  18           HE1      HIS  18   4.719   3.020  -5.349
  157    HE2  HIS  18           HE2      HIS  18   4.501   5.462  -4.771
  158    H    ALA  19           HN       ALA  19   5.383   5.729  -0.506
  159    HA   ALA  19           HA       ALA  19   6.402   8.280  -1.465
  160    HB1  ALA  19           HB1      ALA  19   3.660   8.438  -0.705
  161    HB2  ALA  19           HB2      ALA  19   3.916   6.940  -1.600
  162    HB3  ALA  19           HB3      ALA  19   4.367   8.485  -2.320
  163    H    GLN  20           HN       GLN  20   5.340   6.782   1.500
  164    HA   GLN  20           HA       GLN  20   5.004   9.212   2.968
  165    HB2  GLN  20           HB2      GLN  20   4.899   6.322   3.536
  166    HB3  GLN  20           HB1      GLN  20   5.411   7.322   4.888
  167    HG2  GLN  20           HG2      GLN  20   3.394   8.464   4.973
  168    HG3  GLN  20           HG1      GLN  20   2.957   8.011   3.326
  169   HE21  GLN  20          HE21      GLN  20   2.813   5.548   3.037
  170   HE22  GLN  20          HE22      GLN  20   1.928   4.706   4.260
  171    H    LEU  21           HN       LEU  21   7.522   6.684   3.008
  172    HA   LEU  21           HA       LEU  21   9.236   7.954   4.808
  173    HB2  LEU  21           HB2      LEU  21  11.018   6.528   3.797
  174    HB3  LEU  21           HB1      LEU  21   9.587   5.657   4.314
  175    HG   LEU  21           HG       LEU  21   8.933   6.058   1.740
  176   HD11  LEU  21          HD11      LEU  21  10.899   5.721   0.336
  177   HD12  LEU  21          HD12      LEU  21  11.940   5.848   1.754
  178   HD13  LEU  21          HD13      LEU  21  11.000   7.242   1.223
  179   HD21  LEU  21          HD21      LEU  21  10.698   3.787   1.870
  180   HD22  LEU  21          HD22      LEU  21   8.938   3.836   1.781
  181   HD23  LEU  21          HD23      LEU  21   9.744   3.919   3.347
  182    H    SER  22           HN       SER  22   8.556   8.687   1.523
  183    HA   SER  22           HA       SER  22  11.032  10.129   1.092
  184    HB2  SER  22           HB2      SER  22   9.403   8.882  -0.643
  185    HB3  SER  22           HB1      SER  22   8.731  10.509  -0.749
  186    HG   SER  22           HG       SER  22  10.525  11.211  -1.657
  187    H    SER  23           HN       SER  23   7.658  10.826   1.795
  188    HA   SER  23           HA       SER  23   6.817  12.649   2.947
  189    HB2  SER  23           HB2      SER  23   9.176  14.343   2.152
  190    HB3  SER  23           HB1      SER  23   8.090  14.537   3.527
  191    HG   SER  23           HG       SER  23  10.299  13.608   3.880
  192    H    LYS  24           HN       LYS  24   6.510  11.822   0.243
  193    HA   LYS  24           HA       LYS  24   5.532  12.458  -1.682
  194    HB2  LYS  24           HB2      LYS  24   4.268  13.849   0.310
  195    HB3  LYS  24           HB1      LYS  24   4.738  15.141  -0.785
  196    HG2  LYS  24           HG2      LYS  24   2.603  14.534  -1.486
  197    HG3  LYS  24           HG1      LYS  24   3.679  13.726  -2.628
  198    HD2  LYS  24           HD2      LYS  24   3.410  11.877  -0.601
  199    HD3  LYS  24           HD1      LYS  24   1.802  12.597  -0.704
  200    HE2  LYS  24           HE2      LYS  24   2.544  12.204  -3.348
  201    HE3  LYS  24           HE1      LYS  24   3.140  10.769  -2.514
  202    HZ1  LYS  24           HZ1      LYS  24   0.690  11.007  -1.473
  203    HZ2  LYS  24           HZ2      LYS  24   1.052  10.055  -2.823
  204    HZ3  LYS  24           HZ3      LYS  24   0.420  11.610  -3.031
  205    H    LYS  25           HN       LYS  25   8.154  12.765  -1.840
  206    HA   LYS  25           HA       LYS  25   8.450  15.206  -3.436
  207    HB2  LYS  25           HB2      LYS  25   9.901  14.541  -0.988
  208    HB3  LYS  25           HB1      LYS  25  10.970  14.865  -2.346
  209    HG2  LYS  25           HG2      LYS  25   8.787  16.795  -2.021
  210    HG3  LYS  25           HG1      LYS  25   9.949  16.752  -0.693
  211    HD2  LYS  25           HD2      LYS  25  10.854  18.325  -2.155
  212    HD3  LYS  25           HD1      LYS  25  11.739  16.848  -2.543
  213    HE2  LYS  25           HE2      LYS  25   9.974  16.471  -4.347
  214    HE3  LYS  25           HE1      LYS  25   9.503  18.147  -4.073
  215    HZ1  LYS  25           HZ1      LYS  25  11.411  17.339  -5.795
  216    HZ2  LYS  25           HZ2      LYS  25  12.336  17.772  -4.447
  217    HZ3  LYS  25           HZ3      LYS  25  11.291  18.899  -5.153
  Start of MODEL    2
    1    H1   LYS   1           HT1      LYS   1  -9.662  -6.453  -3.971
    2    H2   LYS   1           HT2      LYS   1 -10.663  -5.620  -5.089
    3    H3   LYS   1           HT3      LYS   1 -10.309  -7.283  -5.323
    4    HA   LYS   1           HA       LYS   1 -11.728  -6.235  -2.976
    5    HB2  LYS   1           HB2      LYS   1 -12.689  -7.076  -5.694
    6    HB3  LYS   1           HB1      LYS   1 -13.714  -7.302  -4.283
    7    HG2  LYS   1           HG2      LYS   1 -13.898  -5.008  -3.900
    8    HG3  LYS   1           HG1      LYS   1 -12.508  -4.635  -4.920
    9    HD2  LYS   1           HD2      LYS   1 -13.947  -4.229  -6.572
   10    HD3  LYS   1           HD1      LYS   1 -14.287  -5.960  -6.605
   11    HE2  LYS   1           HE2      LYS   1 -16.163  -5.717  -5.193
   12    HE3  LYS   1           HE1      LYS   1 -15.708  -4.074  -4.744
   13    HZ1  LYS   1           HZ1      LYS   1 -16.284  -4.702  -7.559
   14    HZ2  LYS   1           HZ2      LYS   1 -16.439  -3.232  -6.737
   15    HZ3  LYS   1           HZ3      LYS   1 -17.567  -4.466  -6.481
   16    H    LYS   2           HN       LYS   2 -12.409  -7.809  -1.589
   17    HA   LYS   2           HA       LYS   2 -12.555  -9.866  -0.559
   18    HB2  LYS   2           HB2      LYS   2 -13.057 -10.400  -3.331
   19    HB3  LYS   2           HB1      LYS   2 -11.965 -11.661  -2.760
   20    HG2  LYS   2           HG2      LYS   2 -14.430 -10.945  -1.212
   21    HG3  LYS   2           HG1      LYS   2 -14.499 -12.044  -2.591
   22    HD2  LYS   2           HD2      LYS   2 -12.370 -13.016  -1.155
   23    HD3  LYS   2           HD1      LYS   2 -13.476 -12.480   0.112
   24    HE2  LYS   2           HE2      LYS   2 -14.042 -14.726  -0.321
   25    HE3  LYS   2           HE1      LYS   2 -15.283 -13.759  -1.116
   26    HZ1  LYS   2           HZ1      LYS   2 -14.488 -14.276  -3.188
   27    HZ2  LYS   2           HZ2      LYS   2 -14.163 -15.718  -2.366
   28    HZ3  LYS   2           HZ3      LYS   2 -12.920 -14.605  -2.644
   29    H    SER   3           HN       SER   3 -10.239 -10.592  -3.181
   30    HA   SER   3           HA       SER   3  -8.297 -11.398  -1.134
   31    HB2  SER   3           HB2      SER   3  -9.101 -12.591  -3.534
   32    HB3  SER   3           HB1      SER   3  -7.488 -11.958  -3.863
   33    HG   SER   3           HG       SER   3  -8.280 -14.012  -2.208
   34    H    HIS   4           HN       HIS   4  -8.446  -9.558  -4.183
   35    HA   HIS   4           HA       HIS   4  -5.857  -8.546  -4.171
   36    HB2  HIS   4           HB2      HIS   4  -7.851  -8.352  -5.908
   37    HB3  HIS   4           HB1      HIS   4  -8.078  -6.793  -5.122
   38    HD1  HIS   4           HD1      HIS   4  -6.746  -4.939  -6.073
   39    HD2  HIS   4           HD2      HIS   4  -5.048  -8.642  -6.892
   40    HE1  HIS   4           HE1      HIS   4  -4.767  -4.460  -7.549
   41    HE2  HIS   4           HE2      HIS   4  -3.696  -6.705  -7.944
   42    H    THR   5           HN       THR   5  -8.485  -7.770  -2.098
   43    HA   THR   5           HA       THR   5  -7.362  -5.197  -1.342
   44    HB   THR   5           HB       THR   5  -9.789  -5.369  -1.520
   45    HG1  THR   5           HG1      THR   5 -10.164  -4.262   0.274
   46   HG21  THR   5          HG21      THR   5 -11.081  -6.652   0.131
   47   HG22  THR   5          HG22      THR   5  -9.589  -7.428   0.662
   48   HG23  THR   5          HG23      THR   5 -10.176  -7.679  -0.982
   49    H    ALA   6           HN       ALA   6  -7.858  -8.426   0.013
   50    HA   ALA   6           HA       ALA   6  -6.969  -7.932   2.617
   51    HB1  ALA   6           HB1      ALA   6  -6.826 -10.431   0.939
   52    HB2  ALA   6           HB2      ALA   6  -8.060  -9.997   2.123
   53    HB3  ALA   6           HB3      ALA   6  -6.422 -10.377   2.655
   54    H    SER   7           HN       SER   7  -5.091  -9.556   0.068
   55    HA   SER   7           HA       SER   7  -2.570  -9.134   1.346
   56    HB2  SER   7           HB2      SER   7  -3.545 -10.634  -0.840
   57    HB3  SER   7           HB1      SER   7  -2.318  -9.552  -1.500
   58    HG   SER   7           HG       SER   7  -0.827 -10.399  -0.112
   59    H    TYR   8           HN       TYR   8  -4.520  -6.806   0.008
   60    HA   TYR   8           HA       TYR   8  -2.453  -5.484  -1.443
   61    HB2  TYR   8           HB2      TYR   8  -4.037  -4.163  -2.200
   62    HB3  TYR   8           HB1      TYR   8  -5.220  -5.012  -1.198
   63    HD1  TYR   8           HD1      TYR   8  -4.996  -2.072  -2.231
   64    HD2  TYR   8           HD2      TYR   8  -4.156  -3.925   1.528
   65    HE1  TYR   8           HE1      TYR   8  -5.344   0.080  -1.107
   66    HE2  TYR   8           HE2      TYR   8  -4.484  -1.737   2.641
   67    HH   TYR   8           HH       TYR   8  -5.912   0.447   2.033
   68    H    LEU   9           HN       LEU   9  -3.576  -5.533   1.875
   69    HA   LEU   9           HA       LEU   9  -2.031  -3.250   2.553
   70    HB2  LEU   9           HB2      LEU   9  -3.603  -5.233   4.048
   71    HB3  LEU   9           HB1      LEU   9  -2.242  -4.554   4.921
   72    HG   LEU   9           HG       LEU   9  -3.446  -2.317   3.821
   73   HD11  LEU   9          HD11      LEU   9  -5.760  -2.454   4.097
   74   HD12  LEU   9          HD12      LEU   9  -5.664  -3.956   5.016
   75   HD13  LEU   9          HD13      LEU   9  -5.353  -3.963   3.280
   76   HD21  LEU   9          HD21      LEU   9  -4.502  -2.550   6.381
   77   HD22  LEU   9          HD22      LEU   9  -2.952  -1.833   5.946
   78   HD23  LEU   9          HD23      LEU   9  -3.033  -3.525   6.434
   79    H    ARG  10           HN       ARG  10  -1.392  -6.201   1.493
   80    HA   ARG  10           HA       ARG  10   1.051  -6.730   2.884
   81    HB2  ARG  10           HB2      ARG  10  -0.416  -8.265   0.759
   82    HB3  ARG  10           HB1      ARG  10   1.015  -8.820   1.602
   83    HG2  ARG  10           HG2      ARG  10  -1.095  -9.796   2.460
   84    HG3  ARG  10           HG1      ARG  10  -0.153  -8.947   3.678
   85    HD2  ARG  10           HD2      ARG  10  -2.358  -7.434   2.276
   86    HD3  ARG  10           HD1      ARG  10  -2.775  -8.637   3.493
   87    HE   ARG  10           HE       ARG  10  -1.755  -6.065   3.951
   88   HH11  ARG  10          HH11      ARG  10  -1.527  -9.345   5.130
   89   HH12  ARG  10          HH12      ARG  10  -1.080  -8.878   6.736
   90   HH21  ARG  10          HH21      ARG  10  -1.150  -5.449   6.084
   91   HH22  ARG  10          HH22      ARG  10  -0.870  -6.670   7.277
   92    H    LEU  11           HN       LEU  11  -0.224  -5.747  -0.204
   93    HA   LEU  11           HA       LEU  11   2.387  -5.550  -1.517
   94    HB2  LEU  11           HB2      LEU  11   1.184  -5.819  -3.403
   95    HB3  LEU  11           HB1      LEU  11  -0.200  -6.120  -2.381
   96    HG   LEU  11           HG       LEU  11   0.113  -3.237  -2.871
   97   HD11  LEU  11          HD11      LEU  11  -0.382  -3.249  -5.219
   98   HD12  LEU  11          HD12      LEU  11  -0.319  -5.011  -5.273
   99   HD13  LEU  11          HD13      LEU  11   1.149  -4.085  -4.955
  100   HD21  LEU  11          HD21      LEU  11  -1.984  -5.355  -3.119
  101   HD22  LEU  11          HD22      LEU  11  -2.239  -3.754  -3.812
  102   HD23  LEU  11          HD23      LEU  11  -1.940  -3.928  -2.080
  103    H    TRP  12           HN       TRP  12  -0.430  -3.613  -1.144
  104    HA   TRP  12           HA       TRP  12   0.420  -1.166  -1.809
  105    HB2  TRP  12           HB2      TRP  12  -1.760  -1.034  -1.627
  106    HB3  TRP  12           HB1      TRP  12  -1.827  -2.375  -0.510
  107    HD1  TRP  12           HD1      TRP  12  -2.651   1.014  -0.800
  108    HE1  TRP  12           HE1      TRP  12  -3.138   2.125   1.495
  109    HE3  TRP  12           HE3      TRP  12  -0.547  -2.481   2.141
  110    HZ2  TRP  12           HZ2      TRP  12  -2.667   1.499   4.229
  111    HZ3  TRP  12           HZ3      TRP  12  -0.599  -2.227   4.579
  112    HH2  TRP  12           HH2      TRP  12  -1.624  -0.250   5.610
  113    H    ALA  13           HN       ALA  13   1.328  -2.912   0.989
  114    HA   ALA  13           HA       ALA  13   1.842  -0.673   2.696
  115    HB1  ALA  13           HB1      ALA  13   2.638  -3.567   2.819
  116    HB2  ALA  13           HB2      ALA  13   1.426  -2.728   3.787
  117    HB3  ALA  13           HB3      ALA  13   3.139  -2.385   4.027
  118    H    LEU  14           HN       LEU  14   3.914  -2.882   0.822
  119    HA   LEU  14           HA       LEU  14   6.228  -1.202   1.287
  120    HB2  LEU  14           HB2      LEU  14   5.779  -3.902   0.587
  121    HB3  LEU  14           HB1      LEU  14   6.665  -3.182  -0.744
  122    HG   LEU  14           HG       LEU  14   8.245  -2.292   1.139
  123   HD11  LEU  14          HD11      LEU  14   7.290  -2.839   3.140
  124   HD12  LEU  14          HD12      LEU  14   8.309  -4.256   2.891
  125   HD13  LEU  14          HD13      LEU  14   6.586  -4.334   2.524
  126   HD21  LEU  14          HD21      LEU  14   9.630  -4.240   0.889
  127   HD22  LEU  14          HD22      LEU  14   8.803  -3.932  -0.638
  128   HD23  LEU  14          HD23      LEU  14   8.239  -5.220   0.425
  129    H    SER  15           HN       SER  15   3.715  -1.320  -0.992
  130    HA   SER  15           HA       SER  15   5.300  -0.093  -3.114
  131    HB2  SER  15           HB2      SER  15   3.313  -1.916  -3.270
  132    HB3  SER  15           HB1      SER  15   2.379  -0.433  -3.466
  133    HG   SER  15           HG       SER  15   3.290  -1.434  -5.432
  134    H    LEU  16           HN       LEU  16   2.330   0.599  -1.271
  135    HA   LEU  16           HA       LEU  16   2.144   3.273  -2.249
  136    HB2  LEU  16           HB2      LEU  16   0.319   1.662  -1.263
  137    HB3  LEU  16           HB1      LEU  16   0.784   2.404   0.257
  138    HG   LEU  16           HG       LEU  16   0.406   4.627  -1.196
  139   HD11  LEU  16          HD11      LEU  16  -1.606   2.684  -2.314
  140   HD12  LEU  16          HD12      LEU  16  -0.212   3.303  -3.199
  141   HD13  LEU  16          HD13      LEU  16  -1.479   4.407  -2.665
  142   HD21  LEU  16          HD21      LEU  16  -0.655   3.814   0.982
  143   HD22  LEU  16          HD22      LEU  16  -1.956   3.189  -0.031
  144   HD23  LEU  16          HD23      LEU  16  -1.597   4.916  -0.022
  145    H    ALA  17           HN       ALA  17   4.198   1.898  -0.017
  146    HA   ALA  17           HA       ALA  17   4.318   4.306   1.668
  147    HB1  ALA  17           HB1      ALA  17   5.724   3.170   3.199
  148    HB2  ALA  17           HB2      ALA  17   6.040   1.853   2.076
  149    HB3  ALA  17           HB3      ALA  17   4.431   2.047   2.790
  150    H    HIS  18           HN       HIS  18   6.154   2.650  -0.803
  151    HA   HIS  18           HA       HIS  18   8.594   4.005  -0.451
  152    HB2  HIS  18           HB2      HIS  18   9.160   3.282  -2.696
  153    HB3  HIS  18           HB1      HIS  18   8.362   1.977  -1.830
  154    HD1  HIS  18           HD1      HIS  18   7.345   0.728  -3.736
  155    HD2  HIS  18           HD2      HIS  18   6.465   4.787  -3.874
  156    HE1  HIS  18           HE1      HIS  18   5.681   0.993  -5.601
  157    HE2  HIS  18           HE2      HIS  18   5.119   3.448  -5.626
  158    H    ALA  19           HN       ALA  19   5.590   5.163  -1.547
  159    HA   ALA  19           HA       ALA  19   6.653   7.248  -3.237
  160    HB1  ALA  19           HB1      ALA  19   4.419   7.901  -3.607
  161    HB2  ALA  19           HB2      ALA  19   3.858   7.100  -2.139
  162    HB3  ALA  19           HB3      ALA  19   4.390   6.139  -3.519
  163    H    GLN  20           HN       GLN  20   5.404   6.947   0.048
  164    HA   GLN  20           HA       GLN  20   5.480   9.746   0.603
  165    HB2  GLN  20           HB2      GLN  20   4.997   7.262   2.160
  166    HB3  GLN  20           HB1      GLN  20   5.482   8.693   3.059
  167    HG2  GLN  20           HG2      GLN  20   3.393   9.402   3.015
  168    HG3  GLN  20           HG1      GLN  20   3.485   9.514   1.257
  169   HE21  GLN  20          HE21      GLN  20   3.286   7.259   0.190
  170   HE22  GLN  20          HE22      GLN  20   1.966   6.298   0.755
  171    H    LEU  21           HN       LEU  21   7.935   7.496   0.233
  172    HA   LEU  21           HA       LEU  21   9.701   8.452   2.280
  173    HB2  LEU  21           HB2      LEU  21  10.215   6.786  -0.183
  174    HB3  LEU  21           HB1      LEU  21  11.419   7.133   1.044
  175    HG   LEU  21           HG       LEU  21   8.891   5.526   1.402
  176   HD11  LEU  21          HD11      LEU  21  10.276   3.650   1.631
  177   HD12  LEU  21          HD12      LEU  21  11.729   4.635   1.801
  178   HD13  LEU  21          HD13      LEU  21  10.920   4.519   0.238
  179   HD21  LEU  21          HD21      LEU  21  10.602   6.894   3.340
  180   HD22  LEU  21          HD22      LEU  21  10.374   5.176   3.669
  181   HD23  LEU  21          HD23      LEU  21   8.974   6.239   3.522
  182    H    SER  22           HN       SER  22   9.417   8.925  -1.224
  183    HA   SER  22           HA       SER  22  11.476  10.999  -1.123
  184    HB2  SER  22           HB2      SER  22  10.503   9.159  -3.141
  185    HB3  SER  22           HB1      SER  22  10.510  10.814  -3.748
  186    HG   SER  22           HG       SER  22  12.520   9.843  -4.099
  187    H    SER  23           HN       SER  23   8.783  11.353   0.056
  188    HA   SER  23           HA       SER  23   7.871  13.619  -1.592
  189    HB2  SER  23           HB2      SER  23   6.396  11.467  -0.248
  190    HB3  SER  23           HB1      SER  23   5.757  13.077   0.080
  191    HG   SER  23           HG       SER  23   4.837  12.839  -1.794
  192    H    LYS  24           HN       LYS  24   9.370  12.770   1.289
  193    HA   LYS  24           HA       LYS  24   9.748  13.809   3.282
  194    HB2  LYS  24           HB2      LYS  24  10.453  16.114   3.087
  195    HB3  LYS  24           HB1      LYS  24  11.001  15.215   1.680
  196    HG2  LYS  24           HG2      LYS  24   9.492  16.258   0.265
  197    HG3  LYS  24           HG1      LYS  24   8.442  16.757   1.592
  198    HD2  LYS  24           HD2      LYS  24  11.130  17.845   1.824
  199    HD3  LYS  24           HD1      LYS  24  10.334  18.323   0.323
  200    HE2  LYS  24           HE2      LYS  24   8.834  19.622   1.384
  201    HE3  LYS  24           HE1      LYS  24   8.649  18.488   2.722
  202    HZ1  LYS  24           HZ1      LYS  24  10.252  19.498   3.918
  203    HZ2  LYS  24           HZ2      LYS  24   9.840  20.838   2.971
  204    HZ3  LYS  24           HZ3      LYS  24  11.188  19.900   2.567
  205    H    LYS  25           HN       LYS  25   7.009  13.242   2.879
  206    HA   LYS  25           HA       LYS  25   4.955  13.701   3.735
  207    HB2  LYS  25           HB2      LYS  25   6.780  14.311   5.696
  208    HB3  LYS  25           HB1      LYS  25   5.833  15.789   5.598
  209    HG2  LYS  25           HG2      LYS  25   3.993  14.830   6.471
  210    HG3  LYS  25           HG1      LYS  25   4.286  13.285   5.670
  211    HD2  LYS  25           HD2      LYS  25   5.538  12.478   7.385
  212    HD3  LYS  25           HD1      LYS  25   6.187  14.066   7.800
  213    HE2  LYS  25           HE2      LYS  25   3.656  14.489   8.486
  214    HE3  LYS  25           HE1      LYS  25   3.684  12.738   8.685
  215    HZ1  LYS  25           HZ1      LYS  25   5.124  12.864  10.420
  216    HZ2  LYS  25           HZ2      LYS  25   4.354  14.356  10.626
  217    HZ3  LYS  25           HZ3      LYS  25   5.866  14.283   9.872
  Start of MODEL    3
    1    H1   LYS   1           HT1      LYS   1 -13.859  -8.199   1.252
    2    H2   LYS   1           HT2      LYS   1 -12.587  -7.630   0.251
    3    H3   LYS   1           HT3      LYS   1 -12.790  -9.314   0.510
    4    HA   LYS   1           HA       LYS   1 -15.054  -9.022  -0.490
    5    HB2  LYS   1           HB2      LYS   1 -13.672  -6.438  -1.211
    6    HB3  LYS   1           HB1      LYS   1 -15.021  -7.074  -2.142
    7    HG2  LYS   1           HG2      LYS   1 -15.339  -6.752   0.798
    8    HG3  LYS   1           HG1      LYS   1 -15.398  -5.321  -0.233
    9    HD2  LYS   1           HD2      LYS   1 -17.429  -5.843  -1.019
   10    HD3  LYS   1           HD1      LYS   1 -16.993  -7.536  -1.260
   11    HE2  LYS   1           HE2      LYS   1 -17.691  -6.314   1.406
   12    HE3  LYS   1           HE1      LYS   1 -18.829  -7.189   0.382
   13    HZ1  LYS   1           HZ1      LYS   1 -16.349  -8.574   0.974
   14    HZ2  LYS   1           HZ2      LYS   1 -17.934  -9.163   0.927
   15    HZ3  LYS   1           HZ3      LYS   1 -17.379  -8.337   2.295
   16    H    LYS   2           HN       LYS   2 -12.337  -7.572  -2.260
   17    HA   LYS   2           HA       LYS   2 -12.331  -9.938  -4.025
   18    HB2  LYS   2           HB2      LYS   2 -12.231  -7.088  -4.525
   19    HB3  LYS   2           HB1      LYS   2 -10.733  -7.811  -5.112
   20    HG2  LYS   2           HG2      LYS   2 -12.065  -9.428  -6.420
   21    HG3  LYS   2           HG1      LYS   2 -13.536  -8.616  -5.879
   22    HD2  LYS   2           HD2      LYS   2 -12.018  -6.536  -6.830
   23    HD3  LYS   2           HD1      LYS   2 -11.616  -7.846  -7.942
   24    HE2  LYS   2           HE2      LYS   2 -14.149  -8.225  -8.095
   25    HE3  LYS   2           HE1      LYS   2 -14.297  -6.631  -7.357
   26    HZ1  LYS   2           HZ1      LYS   2 -14.396  -6.402  -9.717
   27    HZ2  LYS   2           HZ2      LYS   2 -12.969  -7.284  -9.930
   28    HZ3  LYS   2           HZ3      LYS   2 -12.918  -5.760  -9.198
   29    H    SER   3           HN       SER   3  -9.971 -10.001  -5.146
   30    HA   SER   3           HA       SER   3  -8.204 -10.779  -3.010
   31    HB2  SER   3           HB2      SER   3  -8.598 -11.684  -5.568
   32    HB3  SER   3           HB1      SER   3  -7.105 -10.761  -5.741
   33    HG   SER   3           HG       SER   3  -6.894 -13.040  -5.110
   34    H    HIS   4           HN       HIS   4  -8.586  -8.062  -5.115
   35    HA   HIS   4           HA       HIS   4  -5.979  -7.024  -5.066
   36    HB2  HIS   4           HB2      HIS   4  -8.589  -6.167  -5.939
   37    HB3  HIS   4           HB1      HIS   4  -7.752  -4.837  -5.145
   38    HD1  HIS   4           HD1      HIS   4  -7.723  -6.925  -8.207
   39    HD2  HIS   4           HD2      HIS   4  -5.367  -3.996  -6.438
   40    HE1  HIS   4           HE1      HIS   4  -6.124  -6.178  -9.997
   41    HE2  HIS   4           HE2      HIS   4  -4.636  -4.487  -8.870
   42    H    THR   5           HN       THR   5  -8.745  -6.463  -2.900
   43    HA   THR   5           HA       THR   5  -7.359  -4.565  -1.288
   44    HB   THR   5           HB       THR   5  -9.768  -4.508  -1.358
   45    HG1  THR   5           HG1      THR   5  -8.943  -5.418   1.198
   46   HG21  THR   5          HG21      THR   5  -9.673  -7.288  -0.220
   47   HG22  THR   5          HG22      THR   5 -10.373  -6.776  -1.755
   48   HG23  THR   5          HG23      THR   5 -11.112  -6.270  -0.236
   49    H    ALA   6           HN       ALA   6  -7.928  -8.036  -1.075
   50    HA   ALA   6           HA       ALA   6  -7.030  -8.495   1.517
   51    HB1  ALA   6           HB1      ALA   6  -7.881 -10.423   0.730
   52    HB2  ALA   6           HB2      ALA   6  -6.211 -10.740   0.259
   53    HB3  ALA   6           HB3      ALA   6  -7.355 -10.102  -0.923
   54    H    SER   7           HN       SER   7  -5.087  -9.363  -1.320
   55    HA   SER   7           HA       SER   7  -2.605  -9.292   0.063
   56    HB2  SER   7           HB2      SER   7  -2.947  -9.047  -2.928
   57    HB3  SER   7           HB1      SER   7  -1.609  -9.770  -2.035
   58    HG   SER   7           HG       SER   7  -4.108 -10.812  -2.659
   59    H    TYR   8           HN       TYR   8  -4.483  -6.637  -0.660
   60    HA   TYR   8           HA       TYR   8  -2.372  -5.020  -1.673
   61    HB2  TYR   8           HB2      TYR   8  -3.947  -3.541  -2.066
   62    HB3  TYR   8           HB1      TYR   8  -5.135  -4.562  -1.247
   63    HD1  TYR   8           HD1      TYR   8  -4.107  -4.238   1.613
   64    HD2  TYR   8           HD2      TYR   8  -4.656  -1.440  -1.567
   65    HE1  TYR   8           HE1      TYR   8  -4.296  -2.376   3.240
   66    HE2  TYR   8           HE2      TYR   8  -4.874   0.386   0.056
   67    HH   TYR   8           HH       TYR   8  -4.856  -0.225   3.538
   68    H    LEU   9           HN       LEU   9  -3.543  -5.874   1.529
   69    HA   LEU   9           HA       LEU   9  -1.893  -3.914   2.747
   70    HB2  LEU   9           HB2      LEU   9  -3.641  -6.053   3.696
   71    HB3  LEU   9           HB1      LEU   9  -2.223  -5.806   4.697
   72    HG   LEU   9           HG       LEU   9  -3.260  -3.233   4.178
   73   HD11  LEU   9          HD11      LEU   9  -5.335  -4.853   3.700
   74   HD12  LEU   9          HD12      LEU   9  -5.512  -3.285   4.488
   75   HD13  LEU   9          HD13      LEU   9  -5.462  -4.758   5.456
   76   HD21  LEU   9          HD21      LEU   9  -3.169  -3.033   6.456
   77   HD22  LEU   9          HD22      LEU   9  -2.133  -4.444   6.240
   78   HD23  LEU   9          HD23      LEU   9  -3.812  -4.650   6.742
   79    H    ARG  10           HN       ARG  10  -1.391  -6.551   1.008
   80    HA   ARG  10           HA       ARG  10   1.016  -7.515   2.222
   81    HB2  ARG  10           HB2      ARG  10  -0.523  -8.465  -0.178
   82    HB3  ARG  10           HB1      ARG  10   0.861  -9.272   0.528
   83    HG2  ARG  10           HG2      ARG  10  -1.273 -10.310   1.167
   84    HG3  ARG  10           HG1      ARG  10  -0.353  -9.732   2.549
   85    HD2  ARG  10           HD2      ARG  10  -2.445  -7.886   1.426
   86    HD3  ARG  10           HD1      ARG  10  -2.978  -9.319   2.297
   87    HE   ARG  10           HE       ARG  10  -1.762  -6.989   3.386
   88   HH11  ARG  10          HH11      ARG  10  -2.328 -10.400   3.854
   89   HH12  ARG  10          HH12      ARG  10  -2.058 -10.347   5.564
   90   HH21  ARG  10          HH21      ARG  10  -1.379  -6.926   5.658
   91   HH22  ARG  10          HH22      ARG  10  -1.523  -8.380   6.583
   92    H    LEU  11           HN       LEU  11  -0.173  -5.635  -0.425
   93    HA   LEU  11           HA       LEU  11   2.469  -5.340  -1.698
   94    HB2  LEU  11           HB2      LEU  11   1.302  -5.120  -3.614
   95    HB3  LEU  11           HB1      LEU  11  -0.110  -5.600  -2.705
   96    HG   LEU  11           HG       LEU  11   0.284  -2.695  -2.512
   97   HD11  LEU  11          HD11      LEU  11  -0.078  -2.107  -4.778
   98   HD12  LEU  11          HD12      LEU  11  -0.208  -3.794  -5.274
   99   HD13  LEU  11          HD13      LEU  11   1.346  -3.148  -4.747
  100   HD21  LEU  11          HD21      LEU  11  -2.057  -3.044  -3.720
  101   HD22  LEU  11          HD22      LEU  11  -1.823  -3.325  -1.992
  102   HD23  LEU  11          HD23      LEU  11  -1.824  -4.684  -3.116
  103    H    TRP  12           HN       TRP  12  -0.284  -3.422  -0.940
  104    HA   TRP  12           HA       TRP  12   0.646  -0.927  -1.026
  105    HB2  TRP  12           HB2      TRP  12  -1.522  -0.766  -0.759
  106    HB3  TRP  12           HB1      TRP  12  -1.619  -2.330   0.011
  107    HD1  TRP  12           HD1      TRP  12  -2.255   1.084   0.549
  108    HE1  TRP  12           HE1      TRP  12  -2.699   1.621   3.052
  109    HE3  TRP  12           HE3      TRP  12  -0.385  -3.144   2.523
  110    HZ2  TRP  12           HZ2      TRP  12  -2.290   0.309   5.543
  111    HZ3  TRP  12           HZ3      TRP  12  -0.440  -3.499   4.948
  112    HH2  TRP  12           HH2      TRP  12  -1.359  -1.783   6.442
  113    H    ALA  13           HN       ALA  13   1.345  -3.305   1.393
  114    HA   ALA  13           HA       ALA  13   2.100  -1.476   3.463
  115    HB1  ALA  13           HB1      ALA  13   2.138  -4.396   3.075
  116    HB2  ALA  13           HB2      ALA  13   1.652  -3.443   4.477
  117    HB3  ALA  13           HB3      ALA  13   3.361  -3.743   4.166
  118    H    LEU  14           HN       LEU  14   4.074  -3.764   1.556
  119    HA   LEU  14           HA       LEU  14   6.542  -2.659   2.221
  120    HB2  LEU  14           HB2      LEU  14   5.514  -4.439   0.112
  121    HB3  LEU  14           HB1      LEU  14   6.993  -3.593  -0.297
  122    HG   LEU  14           HG       LEU  14   7.363  -4.625   2.307
  123   HD11  LEU  14          HD11      LEU  14   6.070  -6.431   2.408
  124   HD12  LEU  14          HD12      LEU  14   7.110  -7.125   1.165
  125   HD13  LEU  14          HD13      LEU  14   5.618  -6.303   0.708
  126   HD21  LEU  14          HD21      LEU  14   8.588  -6.166   0.168
  127   HD22  LEU  14          HD22      LEU  14   9.333  -5.167   1.416
  128   HD23  LEU  14          HD23      LEU  14   8.746  -4.426  -0.072
  129    H    SER  15           HN       SER  15   4.138  -1.579  -0.029
  130    HA   SER  15           HA       SER  15   5.974   0.330  -1.253
  131    HB2  SER  15           HB2      SER  15   3.445  -0.919  -2.028
  132    HB3  SER  15           HB1      SER  15   3.486   0.813  -2.353
  133    HG   SER  15           HG       SER  15   5.586  -0.924  -3.113
  134    H    LEU  16           HN       LEU  16   4.194   0.251   1.494
  135    HA   LEU  16           HA       LEU  16   2.880   2.778   1.403
  136    HB2  LEU  16           HB2      LEU  16   2.235   0.969   2.953
  137    HB3  LEU  16           HB1      LEU  16   3.760   1.156   3.793
  138    HG   LEU  16           HG       LEU  16   2.116   3.600   3.575
  139   HD11  LEU  16          HD11      LEU  16   0.771   2.833   5.578
  140   HD12  LEU  16          HD12      LEU  16   1.251   1.191   5.151
  141   HD13  LEU  16          HD13      LEU  16   0.306   2.157   4.017
  142   HD21  LEU  16          HD21      LEU  16   4.060   3.836   4.832
  143   HD22  LEU  16          HD22      LEU  16   3.864   2.265   5.611
  144   HD23  LEU  16          HD23      LEU  16   2.807   3.607   6.052
  145    H    ALA  17           HN       ALA  17   6.118   1.763   1.990
  146    HA   ALA  17           HA       ALA  17   6.819   4.342   3.231
  147    HB1  ALA  17           HB1      ALA  17   8.798   2.113   2.730
  148    HB2  ALA  17           HB2      ALA  17   7.795   2.206   4.187
  149    HB3  ALA  17           HB3      ALA  17   8.938   3.491   3.817
  150    H    HIS  18           HN       HIS  18   7.557   2.453   0.322
  151    HA   HIS  18           HA       HIS  18   9.434   4.268  -0.742
  152    HB2  HIS  18           HB2      HIS  18   9.493   2.919  -2.599
  153    HB3  HIS  18           HB1      HIS  18   8.823   1.800  -1.421
  154    HD1  HIS  18           HD1      HIS  18   5.867   2.958  -1.593
  155    HD2  HIS  18           HD2      HIS  18   8.249   1.813  -4.797
  156    HE1  HIS  18           HE1      HIS  18   4.270   2.417  -3.457
  157    HE2  HIS  18           HE2      HIS  18   5.730   1.622  -5.349
  158    H    ALA  19           HN       ALA  19   6.088   4.606  -0.356
  159    HA   ALA  19           HA       ALA  19   5.749   6.370  -2.641
  160    HB1  ALA  19           HB1      ALA  19   4.010   4.708  -1.505
  161    HB2  ALA  19           HB2      ALA  19   3.507   6.186  -2.324
  162    HB3  ALA  19           HB3      ALA  19   3.645   6.155  -0.566
  163    H    GLN  20           HN       GLN  20   6.271   6.556   0.803
  164    HA   GLN  20           HA       GLN  20   5.543   9.303   1.085
  165    HB2  GLN  20           HB2      GLN  20   6.581   7.175   2.784
  166    HB3  GLN  20           HB1      GLN  20   7.303   8.735   3.154
  167    HG2  GLN  20           HG2      GLN  20   5.309   9.655   3.822
  168    HG3  GLN  20           HG1      GLN  20   4.347   8.532   2.862
  169   HE21  GLN  20          HE21      GLN  20   4.861   6.140   3.579
  170   HE22  GLN  20          HE22      GLN  20   4.714   5.871   5.279
  171    H    LEU  21           HN       LEU  21   8.671   7.614   0.922
  172    HA   LEU  21           HA       LEU  21  10.284   9.906   1.016
  173    HB2  LEU  21           HB2      LEU  21  12.030   8.440  -0.006
  174    HB3  LEU  21           HB1      LEU  21  11.278   7.791   1.438
  175    HG   LEU  21           HG       LEU  21   9.716   6.648  -0.444
  176   HD11  LEU  21          HD11      LEU  21  11.102   7.695  -2.238
  177   HD12  LEU  21          HD12      LEU  21  11.000   5.936  -2.320
  178   HD13  LEU  21          HD13      LEU  21  12.456   6.706  -1.688
  179   HD21  LEU  21          HD21      LEU  21  10.497   5.108   1.002
  180   HD22  LEU  21          HD22      LEU  21  12.098   5.843   1.083
  181   HD23  LEU  21          HD23      LEU  21  11.676   4.796  -0.272
  182    H    SER  22           HN       SER  22   8.296   8.708  -1.486
  183    HA   SER  22           HA       SER  22   9.777   9.792  -3.682
  184    HB2  SER  22           HB2      SER  22   7.022   8.637  -3.360
  185    HB3  SER  22           HB1      SER  22   7.485   9.443  -4.859
  186    HG   SER  22           HG       SER  22   7.871   7.148  -4.842
  187    H    SER  23           HN       SER  23   7.482  11.036  -1.411
  188    HA   SER  23           HA       SER  23   7.849  13.698  -2.376
  189    HB2  SER  23           HB2      SER  23   5.564  12.188  -3.341
  190    HB3  SER  23           HB1      SER  23   5.057  13.625  -2.453
  191    HG   SER  23           HG       SER  23   5.713  14.797  -4.059
  192    H    LYS  24           HN       LYS  24   8.579  13.739  -0.152
  193    HA   LYS  24           HA       LYS  24   6.589  13.448   1.936
  194    HB2  LYS  24           HB2      LYS  24   9.479  13.561   1.782
  195    HB3  LYS  24           HB1      LYS  24   8.874  14.642   3.030
  196    HG2  LYS  24           HG2      LYS  24   7.418  12.383   3.492
  197    HG3  LYS  24           HG1      LYS  24   8.961  11.723   2.946
  198    HD2  LYS  24           HD2      LYS  24   9.554  13.831   4.730
  199    HD3  LYS  24           HD1      LYS  24   8.281  12.868   5.482
  200    HE2  LYS  24           HE2      LYS  24   9.597  10.862   5.248
  201    HE3  LYS  24           HE1      LYS  24  10.831  11.734   4.341
  202    HZ1  LYS  24           HZ1      LYS  24  10.241  12.847   6.941
  203    HZ2  LYS  24           HZ2      LYS  24  11.733  12.550   6.204
  204    HZ3  LYS  24           HZ3      LYS  24  10.913  11.295   6.986
  205    H    LYS  25           HN       LYS  25   6.229  15.199   3.517
  206    HA   LYS  25           HA       LYS  25   6.722  17.910   2.652
  207    HB2  LYS  25           HB2      LYS  25   4.470  16.765   1.637
  208    HB3  LYS  25           HB1      LYS  25   3.847  17.460   3.127
  209    HG2  LYS  25           HG2      LYS  25   5.425  19.462   1.997
  210    HG3  LYS  25           HG1      LYS  25   4.539  18.748   0.648
  211    HD2  LYS  25           HD2      LYS  25   3.037  19.348   3.142
  212    HD3  LYS  25           HD1      LYS  25   3.518  20.704   2.120
  213    HE2  LYS  25           HE2      LYS  25   2.248  19.954   0.318
  214    HE3  LYS  25           HE1      LYS  25   2.158  18.308   0.945
  215    HZ1  LYS  25           HZ1      LYS  25   0.498  18.857   2.403
  216    HZ2  LYS  25           HZ2      LYS  25   0.122  19.891   1.119
  217    HZ3  LYS  25           HZ3      LYS  25   0.929  20.491   2.478
  Start of MODEL    4
    1    H1   LYS   1           HT1      LYS   1 -11.431  -4.463  -1.359
    2    H2   LYS   1           HT2      LYS   1 -11.433  -3.099  -2.400
    3    H3   LYS   1           HT3      LYS   1 -10.422  -4.442  -2.745
    4    HA   LYS   1           HA       LYS   1 -13.328  -4.190  -2.970
    5    HB2  LYS   1           HB2      LYS   1 -11.098  -5.149  -4.777
    6    HB3  LYS   1           HB1      LYS   1 -12.803  -5.154  -5.208
    7    HG2  LYS   1           HG2      LYS   1 -12.859  -2.928  -5.577
    8    HG3  LYS   1           HG1      LYS   1 -11.697  -2.575  -4.297
    9    HD2  LYS   1           HD2      LYS   1  -9.915  -3.539  -5.780
   10    HD3  LYS   1           HD1      LYS   1 -11.120  -3.613  -7.067
   11    HE2  LYS   1           HE2      LYS   1 -11.230  -1.325  -7.282
   12    HE3  LYS   1           HE1      LYS   1 -10.702  -1.039  -5.625
   13    HZ1  LYS   1           HZ1      LYS   1  -9.144  -1.281  -8.021
   14    HZ2  LYS   1           HZ2      LYS   1  -8.565  -2.262  -6.770
   15    HZ3  LYS   1           HZ3      LYS   1  -8.732  -0.596  -6.529
   16    H    LYS   2           HN       LYS   2 -10.845  -6.699  -3.467
   17    HA   LYS   2           HA       LYS   2 -12.119  -8.543  -1.683
   18    HB2  LYS   2           HB2      LYS   2 -13.032  -8.473  -4.423
   19    HB3  LYS   2           HB1      LYS   2 -12.151  -9.981  -4.176
   20    HG2  LYS   2           HG2      LYS   2 -13.590 -10.581  -2.344
   21    HG3  LYS   2           HG1      LYS   2 -14.398  -9.014  -2.413
   22    HD2  LYS   2           HD2      LYS   2 -15.845 -10.498  -3.522
   23    HD3  LYS   2           HD1      LYS   2 -15.017  -9.618  -4.808
   24    HE2  LYS   2           HE2      LYS   2 -13.435 -11.876  -4.199
   25    HE3  LYS   2           HE1      LYS   2 -15.104 -12.433  -4.316
   26    HZ1  LYS   2           HZ1      LYS   2 -14.450 -12.550  -6.485
   27    HZ2  LYS   2           HZ2      LYS   2 -13.397 -11.230  -6.374
   28    HZ3  LYS   2           HZ3      LYS   2 -15.067 -10.974  -6.463
   29    H    SER   3           HN       SER   3 -10.189  -8.651  -4.694
   30    HA   SER   3           HA       SER   3  -8.277 -10.425  -3.387
   31    HB2  SER   3           HB2      SER   3  -8.926  -9.703  -6.199
   32    HB3  SER   3           HB1      SER   3  -7.257 -10.155  -5.854
   33    HG   SER   3           HG       SER   3  -8.292 -12.033  -6.309
   34    H    HIS   4           HN       HIS   4  -8.438  -7.227  -4.874
   35    HA   HIS   4           HA       HIS   4  -5.697  -6.593  -4.676
   36    HB2  HIS   4           HB2      HIS   4  -8.088  -5.300  -5.528
   37    HB3  HIS   4           HB1      HIS   4  -7.269  -4.220  -4.406
   38    HD1  HIS   4           HD1      HIS   4  -4.352  -4.734  -5.156
   39    HD2  HIS   4           HD2      HIS   4  -7.400  -4.257  -7.940
   40    HE1  HIS   4           HE1      HIS   4  -3.217  -4.006  -7.278
   41    HE2  HIS   4           HE2      HIS   4  -5.089  -3.640  -8.924
   42    H    THR   5           HN       THR   5  -8.435  -5.706  -2.563
   43    HA   THR   5           HA       THR   5  -7.045  -4.279  -0.649
   44    HB   THR   5           HB       THR   5  -9.442  -4.298  -0.629
   45    HG1  THR   5           HG1      THR   5  -8.645  -5.663   1.717
   46   HG21  THR   5          HG21      THR   5 -10.752  -6.228   0.085
   47   HG22  THR   5          HG22      THR   5  -9.291  -7.215   0.090
   48   HG23  THR   5          HG23      THR   5  -9.895  -6.540  -1.423
   49    H    ALA   6           HN       ALA   6  -7.619  -7.781  -0.771
   50    HA   ALA   6           HA       ALA   6  -6.542  -8.502   1.672
   51    HB1  ALA   6           HB1      ALA   6  -7.482  -9.841  -0.560
   52    HB2  ALA   6           HB2      ALA   6  -6.933 -10.570   0.948
   53    HB3  ALA   6           HB3      ALA   6  -5.814 -10.390  -0.402
   54    H    SER   7           HN       SER   7  -4.760  -9.018  -1.351
   55    HA   SER   7           HA       SER   7  -2.205  -9.094  -0.110
   56    HB2  SER   7           HB2      SER   7  -2.731  -8.482  -3.022
   57    HB3  SER   7           HB1      SER   7  -1.324  -9.270  -2.309
   58    HG   SER   7           HG       SER   7  -2.712 -11.016  -1.741
   59    H    TYR   8           HN       TYR   8  -4.134  -6.394  -0.379
   60    HA   TYR   8           HA       TYR   8  -2.093  -4.641  -1.305
   61    HB2  TYR   8           HB2      TYR   8  -3.689  -3.141  -1.434
   62    HB3  TYR   8           HB1      TYR   8  -4.832  -4.279  -0.711
   63    HD1  TYR   8           HD1      TYR   8  -4.432  -1.138  -0.639
   64    HD2  TYR   8           HD2      TYR   8  -3.661  -4.301   2.130
   65    HE1  TYR   8           HE1      TYR   8  -4.606   0.459   1.213
   66    HE2  TYR   8           HE2      TYR   8  -3.814  -2.668   3.982
   67    HH   TYR   8           HH       TYR   8  -4.980   0.554   3.537
   68    H    LEU   9           HN       LEU   9  -3.047  -5.914   1.826
   69    HA   LEU   9           HA       LEU   9  -1.351  -4.068   3.166
   70    HB2  LEU   9           HB2      LEU   9  -2.999  -6.344   3.986
   71    HB3  LEU   9           HB1      LEU   9  -1.530  -6.143   4.921
   72    HG   LEU   9           HG       LEU   9  -2.684  -3.572   4.708
   73   HD11  LEU   9          HD11      LEU   9  -4.834  -4.319   4.209
   74   HD12  LEU   9          HD12      LEU   9  -4.859  -4.186   5.968
   75   HD13  LEU   9          HD13      LEU   9  -4.674  -5.765   5.206
   76   HD21  LEU   9          HD21      LEU   9  -2.432  -3.568   6.981
   77   HD22  LEU   9          HD22      LEU   9  -1.368  -4.913   6.568
   78   HD23  LEU   9          HD23      LEU   9  -2.997  -5.228   7.164
   79    H    ARG  10           HN       ARG  10  -0.960  -6.469   1.103
   80    HA   ARG  10           HA       ARG  10   1.532  -7.535   2.022
   81    HB2  ARG  10           HB2      ARG  10  -0.161  -8.226  -0.366
   82    HB3  ARG  10           HB1      ARG  10   1.271  -9.089   0.153
   83    HG2  ARG  10           HG2      ARG  10  -0.809 -10.227   0.803
   84    HG3  ARG  10           HG1      ARG  10   0.193  -9.795   2.182
   85    HD2  ARG  10           HD2      ARG  10  -1.974  -7.861   1.417
   86    HD3  ARG  10           HD1      ARG  10  -2.450  -9.394   2.133
   87    HE   ARG  10           HE       ARG  10  -1.197  -7.200   3.436
   88   HH11  ARG  10          HH11      ARG  10  -1.637 -10.667   3.482
   89   HH12  ARG  10          HH12      ARG  10  -1.264 -10.827   5.165
   90   HH21  ARG  10          HH21      ARG  10  -0.679  -7.428   5.680
   91   HH22  ARG  10          HH22      ARG  10  -0.726  -8.996   6.406
   92    H    LEU  11           HN       LEU  11   0.137  -5.372  -0.287
   93    HA   LEU  11           HA       LEU  11   2.673  -4.877  -1.703
   94    HB2  LEU  11           HB2      LEU  11   1.370  -4.454  -3.489
   95    HB3  LEU  11           HB1      LEU  11   0.021  -5.043  -2.550
   96    HG   LEU  11           HG       LEU  11   0.445  -2.179  -2.041
   97   HD11  LEU  11          HD11      LEU  11  -0.280  -1.438  -4.275
   98   HD12  LEU  11          HD12      LEU  11  -0.005  -3.069  -4.889
   99   HD13  LEU  11          HD13      LEU  11   1.348  -2.116  -4.278
  100   HD21  LEU  11          HD21      LEU  11  -1.739  -4.047  -2.820
  101   HD22  LEU  11          HD22      LEU  11  -1.968  -2.313  -3.047
  102   HD23  LEU  11          HD23      LEU  11  -1.614  -2.954  -1.439
  103    H    TRP  12           HN       TRP  12  -0.040  -3.102  -0.539
  104    HA   TRP  12           HA       TRP  12   0.925  -0.608  -0.372
  105    HB2  TRP  12           HB2      TRP  12  -1.231  -0.429  -0.022
  106    HB3  TRP  12           HB1      TRP  12  -1.353  -2.086   0.519
  107    HD1  TRP  12           HD1      TRP  12  -2.031   1.167   1.539
  108    HE1  TRP  12           HE1      TRP  12  -2.330   1.390   4.107
  109    HE3  TRP  12           HE3      TRP  12   0.078  -3.190   2.878
  110    HZ2  TRP  12           HZ2      TRP  12  -1.734  -0.188   6.397
  111    HZ3  TRP  12           HZ3      TRP  12   0.179  -3.835   5.242
  112    HH2  TRP  12           HH2      TRP  12  -0.697  -2.341   6.983
  113    H    ALA  13           HN       ALA  13   1.826  -3.261   1.593
  114    HA   ALA  13           HA       ALA  13   2.579  -1.734   3.912
  115    HB1  ALA  13           HB1      ALA  13   3.028  -4.589   3.090
  116    HB2  ALA  13           HB2      ALA  13   1.954  -3.969   4.345
  117    HB3  ALA  13           HB3      ALA  13   3.702  -3.906   4.571
  118    H    LEU  14           HN       LEU  14   4.455  -3.630   1.533
  119    HA   LEU  14           HA       LEU  14   6.956  -2.601   2.314
  120    HB2  LEU  14           HB2      LEU  14   5.924  -4.010  -0.109
  121    HB3  LEU  14           HB1      LEU  14   7.525  -3.298  -0.162
  122    HG   LEU  14           HG       LEU  14   6.610  -5.374   1.832
  123   HD11  LEU  14          HD11      LEU  14   7.537  -6.997   0.543
  124   HD12  LEU  14          HD12      LEU  14   8.712  -5.904  -0.189
  125   HD13  LEU  14          HD13      LEU  14   7.036  -5.892  -0.737
  126   HD21  LEU  14          HD21      LEU  14   9.444  -5.118   1.580
  127   HD22  LEU  14          HD22      LEU  14   8.432  -4.902   3.008
  128   HD23  LEU  14          HD23      LEU  14   8.750  -3.536   1.939
  129    H    SER  15           HN       SER  15   4.486  -1.393   0.201
  130    HA   SER  15           HA       SER  15   6.220   0.702  -0.855
  131    HB2  SER  15           HB2      SER  15   3.294   0.343  -1.480
  132    HB3  SER  15           HB1      SER  15   4.535   1.131  -2.453
  133    HG   SER  15           HG       SER  15   4.069  -1.611  -2.039
  134    H    LEU  16           HN       LEU  16   4.584   0.313   1.929
  135    HA   LEU  16           HA       LEU  16   3.120   2.760   2.074
  136    HB2  LEU  16           HB2      LEU  16   3.413   0.446   3.654
  137    HB3  LEU  16           HB1      LEU  16   3.919   1.787   4.661
  138    HG   LEU  16           HG       LEU  16   1.302   1.836   3.181
  139   HD11  LEU  16          HD11      LEU  16   0.316   1.126   5.399
  140   HD12  LEU  16          HD12      LEU  16   1.937   0.590   5.840
  141   HD13  LEU  16          HD13      LEU  16   1.114  -0.135   4.459
  142   HD21  LEU  16          HD21      LEU  16   2.682   3.737   4.658
  143   HD22  LEU  16          HD22      LEU  16   1.465   3.117   5.774
  144   HD23  LEU  16          HD23      LEU  16   0.975   3.781   4.215
  145    H    ALA  17           HN       ALA  17   6.375   1.756   2.869
  146    HA   ALA  17           HA       ALA  17   6.955   4.415   3.990
  147    HB1  ALA  17           HB1      ALA  17   7.828   2.379   5.204
  148    HB2  ALA  17           HB2      ALA  17   9.013   3.627   4.834
  149    HB3  ALA  17           HB3      ALA  17   8.961   2.162   3.860
  150    H    HIS  18           HN       HIS  18   7.071   2.878   1.029
  151    HA   HIS  18           HA       HIS  18   9.380   4.367   0.049
  152    HB2  HIS  18           HB2      HIS  18   8.082   1.943  -0.673
  153    HB3  HIS  18           HB1      HIS  18   7.970   3.035  -2.051
  154    HD1  HIS  18           HD1      HIS  18   9.939   3.049  -3.536
  155    HD2  HIS  18           HD2      HIS  18  10.893   1.757   0.296
  156    HE1  HIS  18           HE1      HIS  18  12.367   2.392  -3.635
  157    HE2  HIS  18           HE2      HIS  18  12.945   1.692  -1.283
  158    H    ALA  19           HN       ALA  19   5.927   4.039  -0.761
  159    HA   ALA  19           HA       ALA  19   5.670   5.893  -2.733
  160    HB1  ALA  19           HB1      ALA  19   3.579   5.846  -0.612
  161    HB2  ALA  19           HB2      ALA  19   3.909   4.381  -1.536
  162    HB3  ALA  19           HB3      ALA  19   3.405   5.852  -2.367
  163    H    GLN  20           HN       GLN  20   5.745   6.546   0.745
  164    HA   GLN  20           HA       GLN  20   5.111   9.254   0.687
  165    HB2  GLN  20           HB2      GLN  20   6.285   9.412   2.838
  166    HB3  GLN  20           HB1      GLN  20   5.256   7.990   2.761
  167    HG2  GLN  20           HG2      GLN  20   7.394   6.749   2.045
  168    HG3  GLN  20           HG1      GLN  20   8.238   8.161   2.683
  169   HE21  GLN  20          HE21      GLN  20   5.372   6.374   3.751
  170   HE22  GLN  20          HE22      GLN  20   5.957   6.045   5.344
  171    H    LEU  21           HN       LEU  21   8.200   7.633   0.168
  172    HA   LEU  21           HA       LEU  21   9.761  10.003   0.074
  173    HB2  LEU  21           HB2      LEU  21  10.256   7.234  -1.013
  174    HB3  LEU  21           HB1      LEU  21  11.446   8.520  -1.056
  175    HG   LEU  21           HG       LEU  21  10.231   7.661   1.549
  176   HD11  LEU  21          HD11      LEU  21  12.072   6.098   1.856
  177   HD12  LEU  21          HD12      LEU  21  12.630   6.414   0.213
  178   HD13  LEU  21          HD13      LEU  21  11.072   5.631   0.480
  179   HD21  LEU  21          HD21      LEU  21  13.045   8.434   1.378
  180   HD22  LEU  21          HD22      LEU  21  11.780   8.982   2.478
  181   HD23  LEU  21          HD23      LEU  21  11.925   9.699   0.873
  182    H    SER  22           HN       SER  22   7.753   8.351  -2.203
  183    HA   SER  22           HA       SER  22   8.672  10.161  -4.339
  184    HB2  SER  22           HB2      SER  22   8.005   7.302  -4.326
  185    HB3  SER  22           HB1      SER  22   7.227   8.205  -5.626
  186    HG   SER  22           HG       SER  22   9.997   8.365  -5.053
  187    H    SER  23           HN       SER  23   6.709  10.740  -2.236
  188    HA   SER  23           HA       SER  23   4.574  11.656  -3.969
  189    HB2  SER  23           HB2      SER  23   3.787   9.429  -3.222
  190    HB3  SER  23           HB1      SER  23   3.950   9.952  -1.545
  191    HG   SER  23           HG       SER  23   2.193  10.977  -3.518
  192    H    LYS  24           HN       LYS  24   5.058  11.264  -0.456
  193    HA   LYS  24           HA       LYS  24   5.668  13.992  -0.002
  194    HB2  LYS  24           HB2      LYS  24   3.596  14.638   1.177
  195    HB3  LYS  24           HB1      LYS  24   3.330  14.357  -0.538
  196    HG2  LYS  24           HG2      LYS  24   2.165  12.388  -0.169
  197    HG3  LYS  24           HG1      LYS  24   2.839  12.178   1.449
  198    HD2  LYS  24           HD2      LYS  24   1.232  13.421   2.396
  199    HD3  LYS  24           HD1      LYS  24   1.328  14.657   1.140
  200    HE2  LYS  24           HE2      LYS  24  -0.454  13.839   0.075
  201    HE3  LYS  24           HE1      LYS  24   0.168  12.191   0.149
  202    HZ1  LYS  24           HZ1      LYS  24  -1.792  13.478   1.802
  203    HZ2  LYS  24           HZ2      LYS  24  -0.598  12.690   2.704
  204    HZ3  LYS  24           HZ3      LYS  24  -1.499  11.829   1.559
  205    H    LYS  25           HN       LYS  25   6.120  14.440   2.196
  206    HA   LYS  25           HA       LYS  25   6.858  12.112   3.704
  207    HB2  LYS  25           HB2      LYS  25   7.753  14.744   3.555
  208    HB3  LYS  25           HB1      LYS  25   7.041  14.626   5.158
  209    HG2  LYS  25           HG2      LYS  25   8.482  12.360   5.133
  210    HG3  LYS  25           HG1      LYS  25   9.464  13.361   4.062
  211    HD2  LYS  25           HD2      LYS  25   8.497  14.442   6.680
  212    HD3  LYS  25           HD1      LYS  25   9.919  13.400   6.617
  213    HE2  LYS  25           HE2      LYS  25   9.950  15.517   4.611
  214    HE3  LYS  25           HE1      LYS  25   9.898  16.128   6.264
  215    HZ1  LYS  25           HZ1      LYS  25  11.915  15.189   6.770
  216    HZ2  LYS  25           HZ2      LYS  25  12.162  15.610   5.151
  217    HZ3  LYS  25           HZ3      LYS  25  11.812  14.008   5.563
  Start of MODEL    5
    1    H1   LYS   1           HT1      LYS   1 -14.963  -6.368  -1.110
    2    H2   LYS   1           HT2      LYS   1 -14.862  -6.763   0.557
    3    H3   LYS   1           HT3      LYS   1 -15.117  -7.999  -0.606
    4    HA   LYS   1           HA       LYS   1 -12.741  -6.287  -0.650
    5    HB2  LYS   1           HB2      LYS   1 -11.596  -8.027   0.647
    6    HB3  LYS   1           HB1      LYS   1 -12.905  -7.304   1.573
    7    HG2  LYS   1           HG2      LYS   1 -13.367  -9.456   2.040
    8    HG3  LYS   1           HG1      LYS   1 -14.222  -9.374   0.498
    9    HD2  LYS   1           HD2      LYS   1 -11.964 -10.088  -0.532
   10    HD3  LYS   1           HD1      LYS   1 -11.543 -10.574   1.112
   11    HE2  LYS   1           HE2      LYS   1 -12.422 -12.482  -0.049
   12    HE3  LYS   1           HE1      LYS   1 -13.594 -11.973   1.165
   13    HZ1  LYS   1           HZ1      LYS   1 -14.209 -10.617  -1.183
   14    HZ2  LYS   1           HZ2      LYS   1 -15.095 -11.850  -0.439
   15    HZ3  LYS   1           HZ3      LYS   1 -13.943 -12.230  -1.618
   16    H    LYS   2           HN       LYS   2 -10.911  -7.688  -1.536
   17    HA   LYS   2           HA       LYS   2 -11.653  -9.882  -3.249
   18    HB2  LYS   2           HB2      LYS   2 -11.718  -7.176  -4.289
   19    HB3  LYS   2           HB1      LYS   2 -10.397  -8.049  -5.063
   20    HG2  LYS   2           HG2      LYS   2 -11.848  -9.020  -6.418
   21    HG3  LYS   2           HG1      LYS   2 -12.637  -9.778  -5.035
   22    HD2  LYS   2           HD2      LYS   2 -14.431  -8.495  -5.321
   23    HD3  LYS   2           HD1      LYS   2 -13.444  -7.040  -5.175
   24    HE2  LYS   2           HE2      LYS   2 -13.092  -6.906  -7.482
   25    HE3  LYS   2           HE1      LYS   2 -13.566  -8.584  -7.742
   26    HZ1  LYS   2           HZ1      LYS   2 -15.719  -8.038  -7.857
   27    HZ2  LYS   2           HZ2      LYS   2 -15.163  -6.469  -8.157
   28    HZ3  LYS   2           HZ3      LYS   2 -15.626  -6.916  -6.593
   29    H    SER   3           HN       SER   3  -9.497  -9.820  -4.993
   30    HA   SER   3           HA       SER   3  -7.373 -10.622  -3.256
   31    HB2  SER   3           HB2      SER   3  -7.887 -10.636  -6.181
   32    HB3  SER   3           HB1      SER   3  -6.196 -10.633  -5.681
   33    HG   SER   3           HG       SER   3  -7.269 -12.750  -5.925
   34    H    HIS   4           HN       HIS   4  -8.153  -7.763  -5.075
   35    HA   HIS   4           HA       HIS   4  -5.514  -6.604  -4.853
   36    HB2  HIS   4           HB2      HIS   4  -7.968  -6.042  -6.285
   37    HB3  HIS   4           HB1      HIS   4  -7.332  -4.583  -5.532
   38    HD1  HIS   4           HD1      HIS   4  -6.007  -7.420  -7.701
   39    HD2  HIS   4           HD2      HIS   4  -5.464  -3.352  -7.049
   40    HE1  HIS   4           HE1      HIS   4  -4.308  -6.687  -9.404
   41    HE2  HIS   4           HE2      HIS   4  -4.049  -4.207  -9.038
   42    H    THR   5           HN       THR   5  -8.270  -6.812  -2.845
   43    HA   THR   5           HA       THR   5  -7.609  -4.359  -1.396
   44    HB   THR   5           HB       THR   5  -9.701  -4.453  -0.420
   45    HG1  THR   5           HG1      THR   5 -10.700  -6.274   0.201
   46   HG21  THR   5          HG21      THR   5  -9.944  -5.856  -3.047
   47   HG22  THR   5          HG22      THR   5 -10.465  -4.235  -2.583
   48   HG23  THR   5          HG23      THR   5 -11.357  -5.645  -2.015
   49    H    ALA   6           HN       ALA   6  -8.114  -7.810  -0.639
   50    HA   ALA   6           HA       ALA   6  -7.137  -7.735   1.973
   51    HB1  ALA   6           HB1      ALA   6  -6.598 -10.179   0.395
   52    HB2  ALA   6           HB2      ALA   6  -8.276  -9.645   0.488
   53    HB3  ALA   6           HB3      ALA   6  -7.378  -9.990   1.966
   54    H    SER   7           HN       SER   7  -5.421  -8.918  -0.915
   55    HA   SER   7           HA       SER   7  -2.855  -8.987   0.326
   56    HB2  SER   7           HB2      SER   7  -3.392 -10.373  -1.625
   57    HB3  SER   7           HB1      SER   7  -3.603  -8.926  -2.611
   58    HG   SER   7           HG       SER   7  -1.547  -9.569  -2.983
   59    H    TYR   8           HN       TYR   8  -4.639  -6.260  -0.357
   60    HA   TYR   8           HA       TYR   8  -2.503  -4.785  -1.524
   61    HB2  TYR   8           HB2      TYR   8  -3.985  -3.196  -1.855
   62    HB3  TYR   8           HB1      TYR   8  -5.208  -4.166  -1.024
   63    HD1  TYR   8           HD1      TYR   8  -4.056  -3.900   1.827
   64    HD2  TYR   8           HD2      TYR   8  -4.630  -1.070  -1.327
   65    HE1  TYR   8           HE1      TYR   8  -4.127  -2.038   3.459
   66    HE2  TYR   8           HE2      TYR   8  -4.726   0.755   0.309
   67    HH   TYR   8           HH       TYR   8  -5.305   0.422   3.409
   68    H    LEU   9           HN       LEU   9  -3.533  -5.554   1.733
   69    HA   LEU   9           HA       LEU   9  -1.764  -3.636   2.852
   70    HB2  LEU   9           HB2      LEU   9  -3.578  -5.652   3.904
   71    HB3  LEU   9           HB1      LEU   9  -2.095  -5.522   4.829
   72    HG   LEU   9           HG       LEU   9  -3.012  -2.875   4.339
   73   HD11  LEU   9          HD11      LEU   9  -5.138  -4.550   5.668
   74   HD12  LEU   9          HD12      LEU   9  -5.213  -4.087   3.967
   75   HD13  LEU   9          HD13      LEU   9  -5.205  -2.845   5.220
   76   HD21  LEU   9          HD21      LEU   9  -2.925  -2.697   6.696
   77   HD22  LEU   9          HD22      LEU   9  -1.660  -3.843   6.252
   78   HD23  LEU   9          HD23      LEU   9  -3.185  -4.427   6.918
   79    H    ARG  10           HN       ARG  10  -1.446  -6.308   1.124
   80    HA   ARG  10           HA       ARG  10   0.967  -7.360   2.251
   81    HB2  ARG  10           HB2      ARG  10  -0.700  -8.248  -0.088
   82    HB3  ARG  10           HB1      ARG  10   0.689  -9.105   0.549
   83    HG2  ARG  10           HG2      ARG  10  -1.476 -10.057   1.272
   84    HG3  ARG  10           HG1      ARG  10  -0.440  -9.567   2.605
   85    HD2  ARG  10           HD2      ARG  10  -2.512  -7.601   1.643
   86    HD3  ARG  10           HD1      ARG  10  -3.033  -9.005   2.570
   87    HE   ARG  10           HE       ARG  10  -1.727  -6.711   3.553
   88   HH11  ARG  10          HH11      ARG  10  -1.977 -10.166   3.996
   89   HH12  ARG  10          HH12      ARG  10  -1.504 -10.123   5.661
   90   HH21  ARG  10          HH21      ARG  10  -1.080  -6.660   5.769
   91   HH22  ARG  10          HH22      ARG  10  -0.999  -8.138   6.664
   92    H    LEU  11           HN       LEU  11  -0.261  -5.485  -0.386
   93    HA   LEU  11           HA       LEU  11   2.328  -5.283  -1.767
   94    HB2  LEU  11           HB2      LEU  11   1.067  -5.037  -3.617
   95    HB3  LEU  11           HB1      LEU  11  -0.323  -5.414  -2.629
   96    HG   LEU  11           HG       LEU  11   0.260  -2.540  -2.499
   97   HD11  LEU  11          HD11      LEU  11   1.192  -2.764  -4.689
   98   HD12  LEU  11          HD12      LEU  11  -0.438  -2.108  -4.850
   99   HD13  LEU  11          HD13      LEU  11  -0.131  -3.808  -5.208
  100   HD21  LEU  11          HD21      LEU  11  -1.840  -3.235  -1.823
  101   HD22  LEU  11          HD22      LEU  11  -2.032  -4.341  -3.186
  102   HD23  LEU  11          HD23      LEU  11  -2.130  -2.599  -3.445
  103    H    TRP  12           HN       TRP  12  -0.294  -3.238  -0.891
  104    HA   TRP  12           HA       TRP  12   0.755  -0.790  -1.034
  105    HB2  TRP  12           HB2      TRP  12  -1.393  -0.510  -0.713
  106    HB3  TRP  12           HB1      TRP  12  -1.555  -2.064   0.067
  107    HD1  TRP  12           HD1      TRP  12  -2.044   1.365   0.596
  108    HE1  TRP  12           HE1      TRP  12  -2.393   1.946   3.102
  109    HE3  TRP  12           HE3      TRP  12  -0.260  -2.900   2.570
  110    HZ2  TRP  12           HZ2      TRP  12  -1.960   0.653   5.596
  111    HZ3  TRP  12           HZ3      TRP  12  -0.259  -3.223   4.999
  112    HH2  TRP  12           HH2      TRP  12  -1.077  -1.459   6.497
  113    H    ALA  13           HN       ALA  13   1.408  -3.179   1.379
  114    HA   ALA  13           HA       ALA  13   2.287  -1.402   3.434
  115    HB1  ALA  13           HB1      ALA  13   2.698  -4.345   2.974
  116    HB2  ALA  13           HB2      ALA  13   1.610  -3.568   4.123
  117    HB3  ALA  13           HB3      ALA  13   3.355  -3.488   4.368
  118    H    LEU  14           HN       LEU  14   4.127  -3.660   1.374
  119    HA   LEU  14           HA       LEU  14   6.651  -2.603   1.955
  120    HB2  LEU  14           HB2      LEU  14   5.507  -4.283  -0.214
  121    HB3  LEU  14           HB1      LEU  14   7.074  -3.553  -0.508
  122    HG   LEU  14           HG       LEU  14   7.351  -5.804   0.339
  123   HD11  LEU  14          HD11      LEU  14   8.288  -4.750   2.773
  124   HD12  LEU  14          HD12      LEU  14   8.429  -3.462   1.578
  125   HD13  LEU  14          HD13      LEU  14   9.195  -5.023   1.286
  126   HD21  LEU  14          HD21      LEU  14   5.379  -6.235   1.537
  127   HD22  LEU  14          HD22      LEU  14   5.602  -4.828   2.578
  128   HD23  LEU  14          HD23      LEU  14   6.658  -6.230   2.752
  129    H    SER  15           HN       SER  15   4.129  -1.428  -0.082
  130    HA   SER  15           HA       SER  15   5.920   0.390  -1.480
  131    HB2  SER  15           HB2      SER  15   2.948  -0.078  -1.797
  132    HB3  SER  15           HB1      SER  15   3.912   1.011  -2.794
  133    HG   SER  15           HG       SER  15   3.823  -0.895  -3.888
  134    H    LEU  16           HN       LEU  16   4.061   0.365   1.333
  135    HA   LEU  16           HA       LEU  16   3.129   3.044   1.344
  136    HB2  LEU  16           HB2      LEU  16   2.307   1.199   2.832
  137    HB3  LEU  16           HB1      LEU  16   3.803   1.332   3.734
  138    HG   LEU  16           HG       LEU  16   3.141   3.799   4.084
  139   HD11  LEU  16          HD11      LEU  16   1.150   3.240   2.352
  140   HD12  LEU  16          HD12      LEU  16   1.080   4.527   3.555
  141   HD13  LEU  16          HD13      LEU  16   0.327   2.968   3.888
  142   HD21  LEU  16          HD21      LEU  16   2.804   1.534   5.576
  143   HD22  LEU  16          HD22      LEU  16   1.177   2.214   5.558
  144   HD23  LEU  16          HD23      LEU  16   2.529   3.181   6.145
  145    H    ALA  17           HN       ALA  17   6.240   1.771   1.533
  146    HA   ALA  17           HA       ALA  17   7.256   4.000   3.152
  147    HB1  ALA  17           HB1      ALA  17   8.156   1.670   3.576
  148    HB2  ALA  17           HB2      ALA  17   9.354   2.934   3.327
  149    HB3  ALA  17           HB3      ALA  17   8.998   1.806   2.024
  150    H    HIS  18           HN       HIS  18   8.280   2.512   0.067
  151    HA   HIS  18           HA       HIS  18   9.874   4.584  -0.798
  152    HB2  HIS  18           HB2      HIS  18   9.645   3.725  -3.029
  153    HB3  HIS  18           HB1      HIS  18   9.648   2.365  -1.913
  154    HD1  HIS  18           HD1      HIS  18   8.180   0.664  -2.921
  155    HD2  HIS  18           HD2      HIS  18   6.531   4.463  -3.199
  156    HE1  HIS  18           HE1      HIS  18   5.925   0.342  -3.986
  157    HE2  HIS  18           HE2      HIS  18   4.901   2.642  -4.037
  158    H    ALA  19           HN       ALA  19   6.416   4.476  -0.645
  159    HA   ALA  19           HA       ALA  19   5.892   6.557  -2.511
  160    HB1  ALA  19           HB1      ALA  19   4.148   5.722  -0.202
  161    HB2  ALA  19           HB2      ALA  19   4.233   4.850  -1.733
  162    HB3  ALA  19           HB3      ALA  19   3.652   6.515  -1.697
  163    H    GLN  20           HN       GLN  20   6.411   6.461   0.979
  164    HA   GLN  20           HA       GLN  20   5.883   9.266   1.319
  165    HB2  GLN  20           HB2      GLN  20   6.442   6.972   3.028
  166    HB3  GLN  20           HB1      GLN  20   7.267   8.428   3.569
  167    HG2  GLN  20           HG2      GLN  20   5.268   9.589   3.878
  168    HG3  GLN  20           HG1      GLN  20   4.350   8.446   2.901
  169   HE21  GLN  20          HE21      GLN  20   4.507   6.123   3.803
  170   HE22  GLN  20          HE22      GLN  20   4.230   5.972   5.501
  171    H    LEU  21           HN       LEU  21   8.636   7.327   0.543
  172    HA   LEU  21           HA       LEU  21  10.496   9.476   1.204
  173    HB2  LEU  21           HB2      LEU  21  11.172   6.827  -0.054
  174    HB3  LEU  21           HB1      LEU  21  12.247   7.921   0.795
  175    HG   LEU  21           HG       LEU  21   9.980   6.860   2.370
  176   HD11  LEU  21          HD11      LEU  21  10.449   4.816   1.340
  177   HD12  LEU  21          HD12      LEU  21  11.397   4.782   2.826
  178   HD13  LEU  21          HD13      LEU  21  12.182   5.136   1.287
  179   HD21  LEU  21          HD21      LEU  21  12.204   6.491   3.830
  180   HD22  LEU  21          HD22      LEU  21  11.330   8.021   3.759
  181   HD23  LEU  21          HD23      LEU  21  12.759   7.775   2.755
  182    H    SER  22           HN       SER  22   8.452   9.441  -1.084
  183    HA   SER  22           HA       SER  22  10.189  10.678  -3.011
  184    HB2  SER  22           HB2      SER  22   8.533   8.368  -4.013
  185    HB3  SER  22           HB1      SER  22   9.810   9.245  -4.855
  186    HG   SER  22           HG       SER  22  11.314   8.311  -3.465
  187    H    SER  23           HN       SER  23   7.843  11.314  -1.306
  188    HA   SER  23           HA       SER  23   6.122  12.375  -3.445
  189    HB2  SER  23           HB2      SER  23   5.304  10.876  -0.977
  190    HB3  SER  23           HB1      SER  23   4.232  12.103  -1.650
  191    HG   SER  23           HG       SER  23   5.262   9.833  -3.007
  192    H    LYS  24           HN       LYS  24   5.828  12.698   0.071
  193    HA   LYS  24           HA       LYS  24   7.099  15.225   0.236
  194    HB2  LYS  24           HB2      LYS  24   4.310  15.185  -0.592
  195    HB3  LYS  24           HB1      LYS  24   4.543  16.104   0.889
  196    HG2  LYS  24           HG2      LYS  24   6.414  17.311  -0.339
  197    HG3  LYS  24           HG1      LYS  24   5.771  16.573  -1.807
  198    HD2  LYS  24           HD2      LYS  24   3.502  17.550  -0.959
  199    HD3  LYS  24           HD1      LYS  24   4.538  18.619  -0.012
  200    HE2  LYS  24           HE2      LYS  24   4.349  19.881  -1.898
  201    HE3  LYS  24           HE1      LYS  24   5.745  18.906  -2.354
  202    HZ1  LYS  24           HZ1      LYS  24   4.570  17.782  -3.895
  203    HZ2  LYS  24           HZ2      LYS  24   3.598  19.166  -3.880
  204    HZ3  LYS  24           HZ3      LYS  24   3.135  17.798  -3.000
  205    H    LYS  25           HN       LYS  25   4.181  13.741   1.655
  206    HA   LYS  25           HA       LYS  25   5.523  13.046   4.078
  207    HB2  LYS  25           HB2      LYS  25   4.982  15.646   4.082
  208    HB3  LYS  25           HB1      LYS  25   3.388  15.074   4.553
  209    HG2  LYS  25           HG2      LYS  25   4.513  15.523   6.558
  210    HG3  LYS  25           HG1      LYS  25   4.552  13.768   6.385
  211    HD2  LYS  25           HD2      LYS  25   6.782  13.745   6.351
  212    HD3  LYS  25           HD1      LYS  25   6.838  15.001   5.113
  213    HE2  LYS  25           HE2      LYS  25   7.867  16.122   6.805
  214    HE3  LYS  25           HE1      LYS  25   6.194  16.535   7.177
  215    HZ1  LYS  25           HZ1      LYS  25   7.564  15.751   9.100
  216    HZ2  LYS  25           HZ2      LYS  25   7.592  14.218   8.386
  217    HZ3  LYS  25           HZ3      LYS  25   6.120  14.901   8.863
  Start of MODEL    6
    1    H1   LYS   1           HT1      LYS   1 -13.942  -6.706  -5.552
    2    H2   LYS   1           HT2      LYS   1 -14.561  -7.243  -4.044
    3    H3   LYS   1           HT3      LYS   1 -14.464  -8.329  -5.369
    4    HA   LYS   1           HA       LYS   1 -12.156  -8.351  -5.317
    5    HB2  LYS   1           HB2      LYS   1 -12.593  -5.811  -4.031
    6    HB3  LYS   1           HB1      LYS   1 -11.515  -6.791  -3.047
    7    HG2  LYS   1           HG2      LYS   1 -10.136  -5.536  -4.479
    8    HG3  LYS   1           HG1      LYS   1 -10.153  -7.174  -5.136
    9    HD2  LYS   1           HD2      LYS   1 -10.415  -5.749  -6.995
   10    HD3  LYS   1           HD1      LYS   1 -12.029  -6.380  -6.658
   11    HE2  LYS   1           HE2      LYS   1 -12.488  -4.148  -6.932
   12    HE3  LYS   1           HE1      LYS   1 -12.232  -4.222  -5.189
   13    HZ1  LYS   1           HZ1      LYS   1 -10.209  -3.395  -7.201
   14    HZ2  LYS   1           HZ2      LYS   1  -9.958  -3.472  -5.531
   15    HZ3  LYS   1           HZ3      LYS   1 -11.059  -2.358  -6.169
   16    H    LYS   2           HN       LYS   2 -10.965  -9.696  -3.917
   17    HA   LYS   2           HA       LYS   2 -12.097 -10.359  -1.319
   18    HB2  LYS   2           HB2      LYS   2 -12.619 -11.958  -3.678
   19    HB3  LYS   2           HB1      LYS   2 -11.601 -12.888  -2.578
   20    HG2  LYS   2           HG2      LYS   2 -13.805 -11.535  -1.228
   21    HG3  LYS   2           HG1      LYS   2 -14.335 -12.677  -2.464
   22    HD2  LYS   2           HD2      LYS   2 -14.137 -14.159  -0.765
   23    HD3  LYS   2           HD1      LYS   2 -12.443 -14.157  -1.258
   24    HE2  LYS   2           HE2      LYS   2 -13.095 -12.011   0.604
   25    HE3  LYS   2           HE1      LYS   2 -13.399 -13.616   1.268
   26    HZ1  LYS   2           HZ1      LYS   2 -11.123 -14.230   0.674
   27    HZ2  LYS   2           HZ2      LYS   2 -11.153 -12.917   1.740
   28    HZ3  LYS   2           HZ3      LYS   2 -10.841 -12.665   0.097
   29    H    SER   3           HN       SER   3  -9.843 -11.897  -3.637
   30    HA   SER   3           HA       SER   3  -7.891 -12.275  -1.543
   31    HB2  SER   3           HB2      SER   3  -8.358 -13.891  -3.480
   32    HB3  SER   3           HB1      SER   3  -7.443 -12.768  -4.486
   33    HG   SER   3           HG       SER   3  -5.843 -13.974  -3.783
   34    H    HIS   4           HN       HIS   4  -8.127 -10.391  -4.542
   35    HA   HIS   4           HA       HIS   4  -5.618  -9.199  -4.518
   36    HB2  HIS   4           HB2      HIS   4  -8.268  -8.504  -5.678
   37    HB3  HIS   4           HB1      HIS   4  -7.053  -7.231  -5.624
   38    HD1  HIS   4           HD1      HIS   4  -8.011 -10.290  -7.438
   39    HD2  HIS   4           HD2      HIS   4  -4.702  -7.791  -7.172
   40    HE1  HIS   4           HE1      HIS   4  -6.568 -10.873  -9.413
   41    HE2  HIS   4           HE2      HIS   4  -4.523  -9.421  -9.172
   42    H    THR   5           HN       THR   5  -8.472  -8.457  -2.647
   43    HA   THR   5           HA       THR   5  -7.473  -5.921  -1.717
   44    HB   THR   5           HB       THR   5  -9.854  -6.170  -1.903
   45    HG1  THR   5           HG1      THR   5  -9.239  -6.285   0.858
   46   HG21  THR   5          HG21      THR   5 -11.061  -7.723  -0.319
   47   HG22  THR   5          HG22      THR   5  -9.520  -8.558  -0.121
   48   HG23  THR   5          HG23      THR   5 -10.277  -8.469  -1.711
   49    H    ALA   6           HN       ALA   6  -7.653  -9.218  -0.518
   50    HA   ALA   6           HA       ALA   6  -6.976  -8.817   2.146
   51    HB1  ALA   6           HB1      ALA   6  -7.690 -10.971   1.472
   52    HB2  ALA   6           HB2      ALA   6  -6.018 -11.150   2.007
   53    HB3  ALA   6           HB3      ALA   6  -6.393 -11.107   0.285
   54    H    SER   7           HN       SER   7  -4.648 -10.135  -0.182
   55    HA   SER   7           HA       SER   7  -2.356  -9.356   1.293
   56    HB2  SER   7           HB2      SER   7  -2.845 -10.394  -1.479
   57    HB3  SER   7           HB1      SER   7  -1.248  -9.781  -1.049
   58    HG   SER   7           HG       SER   7  -1.326 -11.975  -0.607
   59    H    TYR   8           HN       TYR   8  -4.444  -7.265  -0.254
   60    HA   TYR   8           HA       TYR   8  -2.426  -5.688  -1.486
   61    HB2  TYR   8           HB2      TYR   8  -4.084  -4.570  -2.388
   62    HB3  TYR   8           HB1      TYR   8  -5.245  -5.530  -1.463
   63    HD1  TYR   8           HD1      TYR   8  -5.112  -2.544  -2.519
   64    HD2  TYR   8           HD2      TYR   8  -4.638  -4.372   1.318
   65    HE1  TYR   8           HE1      TYR   8  -5.757  -0.433  -1.450
   66    HE2  TYR   8           HE2      TYR   8  -5.272  -2.222   2.378
   67    HH   TYR   8           HH       TYR   8  -6.500  -0.206   1.875
   68    H    LEU   9           HN       LEU   9  -3.835  -5.868   1.723
   69    HA   LEU   9           HA       LEU   9  -2.591  -3.440   2.501
   70    HB2  LEU   9           HB2      LEU   9  -4.191  -5.475   3.831
   71    HB3  LEU   9           HB1      LEU   9  -2.917  -4.827   4.848
   72    HG   LEU   9           HG       LEU   9  -4.173  -2.620   3.566
   73   HD11  LEU   9          HD11      LEU   9  -6.462  -2.845   4.362
   74   HD12  LEU   9          HD12      LEU   9  -6.128  -4.480   4.933
   75   HD13  LEU   9          HD13      LEU   9  -6.087  -4.123   3.206
   76   HD21  LEU   9          HD21      LEU   9  -3.009  -2.942   5.863
   77   HD22  LEU   9          HD22      LEU   9  -4.611  -3.417   6.427
   78   HD23  LEU   9          HD23      LEU   9  -4.358  -1.814   5.737
   79    H    ARG  10           HN       ARG  10  -1.589  -6.325   1.564
   80    HA   ARG  10           HA       ARG  10   0.769  -6.602   3.168
   81    HB2  ARG  10           HB2      ARG  10  -0.368  -8.330   0.987
   82    HB3  ARG  10           HB1      ARG  10   1.020  -8.726   1.978
   83    HG2  ARG  10           HG2      ARG  10  -1.050  -9.871   2.685
   84    HG3  ARG  10           HG1      ARG  10  -0.332  -8.878   3.945
   85    HD2  ARG  10           HD2      ARG  10  -2.507  -7.641   2.269
   86    HD3  ARG  10           HD1      ARG  10  -2.944  -8.864   3.459
   87    HE   ARG  10           HE       ARG  10  -2.213  -6.200   3.970
   88   HH11  ARG  10          HH11      ARG  10  -1.911  -9.438   5.237
   89   HH12  ARG  10          HH12      ARG  10  -1.666  -8.923   6.872
   90   HH21  ARG  10          HH21      ARG  10  -1.873  -5.515   6.150
   91   HH22  ARG  10          HH22      ARG  10  -1.650  -6.701   7.389
   92    H    LEU  11           HN       LEU  11  -0.344  -5.600   0.054
   93    HA   LEU  11           HA       LEU  11   2.368  -5.263  -1.052
   94    HB2  LEU  11           HB2      LEU  11   1.406  -5.702  -3.041
   95    HB3  LEU  11           HB1      LEU  11  -0.041  -6.125  -2.159
   96    HG   LEU  11           HG       LEU  11   0.023  -3.237  -2.705
   97   HD11  LEU  11          HD11      LEU  11   0.133  -5.122  -5.060
   98   HD12  LEU  11          HD12      LEU  11   1.341  -3.907  -4.644
   99   HD13  LEU  11          HD13      LEU  11  -0.284  -3.410  -5.115
  100   HD21  LEU  11          HD21      LEU  11  -2.007  -4.194  -2.085
  101   HD22  LEU  11          HD22      LEU  11  -1.814  -5.560  -3.189
  102   HD23  LEU  11          HD23      LEU  11  -2.156  -3.951  -3.828
  103    H    TRP  12           HN       TRP  12  -0.660  -3.633  -1.046
  104    HA   TRP  12           HA       TRP  12   0.004  -1.126  -1.694
  105    HB2  TRP  12           HB2      TRP  12  -2.187  -1.198  -1.737
  106    HB3  TRP  12           HB1      TRP  12  -2.239  -2.535  -0.613
  107    HD1  TRP  12           HD1      TRP  12  -3.341   0.760  -1.031
  108    HE1  TRP  12           HE1      TRP  12  -4.164   1.831   1.184
  109    HE3  TRP  12           HE3      TRP  12  -1.231  -2.503   2.149
  110    HZ2  TRP  12           HZ2      TRP  12  -3.919   1.260   3.962
  111    HZ3  TRP  12           HZ3      TRP  12  -1.551  -2.248   4.566
  112    HH2  TRP  12           HH2      TRP  12  -2.858  -0.375   5.463
  113    H    ALA  13           HN       ALA  13   0.645  -2.739   1.279
  114    HA   ALA  13           HA       ALA  13   0.860  -0.391   2.914
  115    HB1  ALA  13           HB1      ALA  13   2.170  -2.152   4.374
  116    HB2  ALA  13           HB2      ALA  13   1.405  -3.292   3.266
  117    HB3  ALA  13           HB3      ALA  13   0.412  -2.205   4.238
  118    H    LEU  14           HN       LEU  14   3.235  -2.723   1.658
  119    HA   LEU  14           HA       LEU  14   5.507  -1.234   2.368
  120    HB2  LEU  14           HB2      LEU  14   5.068  -3.711   1.329
  121    HB3  LEU  14           HB1      LEU  14   5.705  -2.874  -0.074
  122    HG   LEU  14           HG       LEU  14   7.472  -4.037   1.140
  123   HD11  LEU  14          HD11      LEU  14   7.625  -1.585   0.101
  124   HD12  LEU  14          HD12      LEU  14   9.004  -2.399   0.841
  125   HD13  LEU  14          HD13      LEU  14   8.081  -1.212   1.763
  126   HD21  LEU  14          HD21      LEU  14   7.535  -2.247   3.436
  127   HD22  LEU  14          HD22      LEU  14   7.714  -3.999   3.359
  128   HD23  LEU  14          HD23      LEU  14   6.105  -3.279   3.406
  129    H    SER  15           HN       SER  15   3.280  -0.944  -0.262
  130    HA   SER  15           HA       SER  15   5.059   0.823  -1.757
  131    HB2  SER  15           HB2      SER  15   2.240   0.008  -2.481
  132    HB3  SER  15           HB1      SER  15   3.470   0.692  -3.544
  133    HG   SER  15           HG       SER  15   3.071  -1.718  -3.504
  134    H    LEU  16           HN       LEU  16   2.723   1.065   0.667
  135    HA   LEU  16           HA       LEU  16   1.376   3.421  -0.096
  136    HB2  LEU  16           HB2      LEU  16   1.230   1.658   2.016
  137    HB3  LEU  16           HB1      LEU  16   1.817   3.121   2.781
  138    HG   LEU  16           HG       LEU  16  -0.120   4.346   1.764
  139   HD11  LEU  16          HD11      LEU  16  -0.475   2.591  -0.023
  140   HD12  LEU  16          HD12      LEU  16  -1.924   3.184   0.789
  141   HD13  LEU  16          HD13      LEU  16  -1.250   1.614   1.225
  142   HD21  LEU  16          HD21      LEU  16  -0.143   3.603   4.089
  143   HD22  LEU  16          HD22      LEU  16  -0.790   2.040   3.588
  144   HD23  LEU  16          HD23      LEU  16  -1.751   3.503   3.371
  145    H    ALA  17           HN       ALA  17   4.461   2.843   1.438
  146    HA   ALA  17           HA       ALA  17   4.831   5.730   1.915
  147    HB1  ALA  17           HB1      ALA  17   6.865   3.621   2.654
  148    HB2  ALA  17           HB2      ALA  17   5.524   4.082   3.715
  149    HB3  ALA  17           HB3      ALA  17   6.726   5.275   3.241
  150    H    HIS  18           HN       HIS  18   5.498   3.479  -0.502
  151    HA   HIS  18           HA       HIS  18   8.018   4.289  -1.398
  152    HB2  HIS  18           HB2      HIS  18   7.642   2.962  -3.223
  153    HB3  HIS  18           HB1      HIS  18   6.397   2.336  -2.152
  154    HD1  HIS  18           HD1      HIS  18   4.311   4.652  -2.661
  155    HD2  HIS  18           HD2      HIS  18   6.333   2.511  -5.588
  156    HE1  HIS  18           HE1      HIS  18   2.896   4.844  -4.729
  157    HE2  HIS  18           HE2      HIS  18   4.094   3.467  -6.463
  158    H    ALA  19           HN       ALA  19   5.050   5.997  -1.458
  159    HA   ALA  19           HA       ALA  19   5.998   7.785  -3.580
  160    HB1  ALA  19           HB1      ALA  19   3.402   6.907  -2.713
  161    HB2  ALA  19           HB2      ALA  19   3.860   7.777  -4.176
  162    HB3  ALA  19           HB3      ALA  19   3.493   8.668  -2.699
  163    H    GLN  20           HN       GLN  20   5.182   7.712  -0.163
  164    HA   GLN  20           HA       GLN  20   5.450  10.532   0.229
  165    HB2  GLN  20           HB2      GLN  20   5.145   8.150   2.004
  166    HB3  GLN  20           HB1      GLN  20   5.704   9.660   2.710
  167    HG2  GLN  20           HG2      GLN  20   3.700  10.668   2.491
  168    HG3  GLN  20           HG1      GLN  20   3.319   9.832   0.986
  169   HE21  GLN  20          HE21      GLN  20   3.069   7.369   1.344
  170   HE22  GLN  20          HE22      GLN  20   2.052   6.922   2.667
  171    H    LEU  21           HN       LEU  21   7.660   7.917  -0.008
  172    HA   LEU  21           HA       LEU  21   9.759   9.023   1.567
  173    HB2  LEU  21           HB2      LEU  21   9.640   6.876  -0.532
  174    HB3  LEU  21           HB1      LEU  21  11.165   7.382   0.170
  175    HG   LEU  21           HG       LEU  21   8.882   6.443   1.886
  176   HD11  LEU  21          HD11      LEU  21   9.446   4.719   0.180
  177   HD12  LEU  21          HD12      LEU  21   9.760   4.221   1.843
  178   HD13  LEU  21          HD13      LEU  21  11.097   4.714   0.802
  179   HD21  LEU  21          HD21      LEU  21  11.165   5.726   3.121
  180   HD22  LEU  21          HD22      LEU  21  10.356   7.272   3.376
  181   HD23  LEU  21          HD23      LEU  21  11.715   7.162   2.257
  182    H    SER  22           HN       SER  22   8.924   9.109  -1.859
  183    HA   SER  22           HA       SER  22  11.268  10.433  -2.724
  184    HB2  SER  22           HB2      SER  22   8.734   9.597  -3.883
  185    HB3  SER  22           HB1      SER  22   9.256  11.160  -4.512
  186    HG   SER  22           HG       SER  22  10.097   9.370  -5.702
  187    H    SER  23           HN       SER  23   8.376  11.528  -1.179
  188    HA   SER  23           HA       SER  23   9.311  14.306  -1.467
  189    HB2  SER  23           HB2      SER  23   7.104  13.589  -2.683
  190    HB3  SER  23           HB1      SER  23   6.405  13.680  -1.066
  191    HG   SER  23           HG       SER  23   7.263  15.694  -2.741
  192    H    LYS  24           HN       LYS  24   9.786  12.238   0.622
  193    HA   LYS  24           HA       LYS  24   8.253  12.819   2.919
  194    HB2  LYS  24           HB2      LYS  24  10.150  10.965   2.296
  195    HB3  LYS  24           HB1      LYS  24  11.059  12.030   3.359
  196    HG2  LYS  24           HG2      LYS  24   9.431  11.725   5.117
  197    HG3  LYS  24           HG1      LYS  24   8.428  10.741   4.050
  198    HD2  LYS  24           HD2      LYS  24  10.602   9.302   3.825
  199    HD3  LYS  24           HD1      LYS  24  11.038  10.085   5.345
  200    HE2  LYS  24           HE2      LYS  24   9.884   7.886   5.606
  201    HE3  LYS  24           HE1      LYS  24   9.093   9.229   6.430
  202    HZ1  LYS  24           HZ1      LYS  24   8.205   8.680   3.715
  203    HZ2  LYS  24           HZ2      LYS  24   7.309   9.123   5.080
  204    HZ3  LYS  24           HZ3      LYS  24   7.802   7.518   4.878
  205    H    LYS  25           HN       LYS  25   8.709  14.118   4.713
  206    HA   LYS  25           HA       LYS  25   9.339  16.027   5.772
  207    HB2  LYS  25           HB2      LYS  25  11.790  14.869   4.685
  208    HB3  LYS  25           HB1      LYS  25  11.908  16.606   4.931
  209    HG2  LYS  25           HG2      LYS  25  12.056  16.380   7.136
  210    HG3  LYS  25           HG1      LYS  25  10.685  15.271   7.193
  211    HD2  LYS  25           HD2      LYS  25  13.415  14.407   6.274
  212    HD3  LYS  25           HD1      LYS  25  12.934  14.366   7.972
  213    HE2  LYS  25           HE2      LYS  25  10.911  13.017   7.171
  214    HE3  LYS  25           HE1      LYS  25  11.798  12.822   5.660
  215    HZ1  LYS  25           HZ1      LYS  25  13.501  11.651   6.742
  216    HZ2  LYS  25           HZ2      LYS  25  12.068  11.005   7.365
  217    HZ3  LYS  25           HZ3      LYS  25  12.968  12.104   8.283
  Start of MODEL    7
    1    H1   LYS   1           HT1      LYS   1 -15.162  -4.999  -1.777
    2    H2   LYS   1           HT2      LYS   1 -15.949  -6.154  -2.773
    3    H3   LYS   1           HT3      LYS   1 -14.326  -5.702  -3.098
    4    HA   LYS   1           HA       LYS   1 -13.791  -6.549  -0.830
    5    HB2  LYS   1           HB2      LYS   1 -16.562  -7.671  -1.267
    6    HB3  LYS   1           HB1      LYS   1 -15.430  -8.320  -0.089
    7    HG2  LYS   1           HG2      LYS   1 -15.386  -6.157   1.055
    8    HG3  LYS   1           HG1      LYS   1 -16.538  -5.520  -0.121
    9    HD2  LYS   1           HD2      LYS   1 -17.050  -7.875   1.694
   10    HD3  LYS   1           HD1      LYS   1 -17.598  -6.226   2.004
   11    HE2  LYS   1           HE2      LYS   1 -18.520  -6.608  -0.514
   12    HE3  LYS   1           HE1      LYS   1 -18.626  -8.247   0.128
   13    HZ1  LYS   1           HZ1      LYS   1 -19.668  -6.036   1.749
   14    HZ2  LYS   1           HZ2      LYS   1 -20.186  -7.643   1.662
   15    HZ3  LYS   1           HZ3      LYS   1 -20.581  -6.561   0.424
   16    H    LYS   2           HN       LYS   2 -12.128  -7.536  -1.820
   17    HA   LYS   2           HA       LYS   2 -12.584 -10.158  -2.966
   18    HB2  LYS   2           HB2      LYS   2 -12.258  -7.867  -4.679
   19    HB3  LYS   2           HB1      LYS   2 -10.786  -8.830  -4.796
   20    HG2  LYS   2           HG2      LYS   2 -13.107 -10.531  -4.909
   21    HG3  LYS   2           HG1      LYS   2 -13.215  -9.248  -6.115
   22    HD2  LYS   2           HD2      LYS   2 -11.635 -10.189  -7.379
   23    HD3  LYS   2           HD1      LYS   2 -10.552 -10.386  -6.000
   24    HE2  LYS   2           HE2      LYS   2 -10.903 -12.575  -6.602
   25    HE3  LYS   2           HE1      LYS   2 -12.166 -12.351  -5.392
   26    HZ1  LYS   2           HZ1      LYS   2 -13.755 -11.963  -7.162
   27    HZ2  LYS   2           HZ2      LYS   2 -13.000 -13.462  -7.375
   28    HZ3  LYS   2           HZ3      LYS   2 -12.546 -12.144  -8.332
   29    H    SER   3           HN       SER   3 -10.079 -10.596  -4.048
   30    HA   SER   3           HA       SER   3  -8.490 -10.805  -1.657
   31    HB2  SER   3           HB2      SER   3  -6.835 -11.846  -3.397
   32    HB3  SER   3           HB1      SER   3  -8.309 -12.717  -2.975
   33    HG   SER   3           HG       SER   3  -7.775 -11.185  -5.291
   34    H    HIS   4           HN       HIS   4  -8.595  -8.766  -4.462
   35    HA   HIS   4           HA       HIS   4  -5.989  -7.793  -4.551
   36    HB2  HIS   4           HB2      HIS   4  -8.507  -7.150  -5.720
   37    HB3  HIS   4           HB1      HIS   4  -7.788  -5.654  -5.134
   38    HD1  HIS   4           HD1      HIS   4  -7.356  -4.832  -7.542
   39    HD2  HIS   4           HD2      HIS   4  -5.425  -8.387  -6.592
   40    HE1  HIS   4           HE1      HIS   4  -5.682  -5.199  -9.381
   41    HE2  HIS   4           HE2      HIS   4  -4.463  -7.308  -8.738
   42    H    THR   5           HN       THR   5  -8.437  -7.243  -2.180
   43    HA   THR   5           HA       THR   5  -7.124  -4.834  -1.193
   44    HB   THR   5           HB       THR   5  -9.489  -4.660  -1.162
   45    HG1  THR   5           HG1      THR   5  -9.539  -3.925   0.794
   46   HG21  THR   5          HG21      THR   5 -10.374  -6.789  -1.331
   47   HG22  THR   5          HG22      THR   5 -10.818  -6.295   0.303
   48   HG23  THR   5          HG23      THR   5  -9.458  -7.389   0.050
   49    H    ALA   6           HN       ALA   6  -7.674  -8.190  -0.292
   50    HA   ALA   6           HA       ALA   6  -6.719  -8.108   2.334
   51    HB1  ALA   6           HB1      ALA   6  -5.954 -10.579   1.135
   52    HB2  ALA   6           HB2      ALA   6  -7.521 -10.097   0.488
   53    HB3  ALA   6           HB3      ALA   6  -7.297 -10.250   2.230
   54    H    SER   7           HN       SER   7  -4.910  -9.531  -0.367
   55    HA   SER   7           HA       SER   7  -2.369  -9.277   0.887
   56    HB2  SER   7           HB2      SER   7  -3.291  -9.930  -1.904
   57    HB3  SER   7           HB1      SER   7  -1.577  -9.716  -1.545
   58    HG   SER   7           HG       SER   7  -1.615 -11.458  -0.243
   59    H    TYR   8           HN       TYR   8  -4.232  -6.749  -0.226
   60    HA   TYR   8           HA       TYR   8  -2.099  -5.407  -1.571
   61    HB2  TYR   8           HB2      TYR   8  -3.616  -3.955  -2.220
   62    HB3  TYR   8           HB1      TYR   8  -4.842  -4.825  -1.290
   63    HD1  TYR   8           HD1      TYR   8  -4.397  -1.802  -2.074
   64    HD2  TYR   8           HD2      TYR   8  -3.807  -4.044   1.516
   65    HE1  TYR   8           HE1      TYR   8  -4.644   0.256  -0.764
   66    HE2  TYR   8           HE2      TYR   8  -4.032  -1.953   2.820
   67    HH   TYR   8           HH       TYR   8  -4.081   0.320   2.700
   68    H    LEU   9           HN       LEU   9  -3.230  -5.676   1.731
   69    HA   LEU   9           HA       LEU   9  -1.588  -3.523   2.576
   70    HB2  LEU   9           HB2      LEU   9  -3.342  -5.438   3.890
   71    HB3  LEU   9           HB1      LEU   9  -1.904  -5.072   4.824
   72    HG   LEU   9           HG       LEU   9  -2.920  -2.597   3.881
   73   HD11  LEU   9          HD11      LEU   9  -5.155  -2.543   4.388
   74   HD12  LEU   9          HD12      LEU   9  -5.061  -3.925   5.479
   75   HD13  LEU   9          HD13      LEU   9  -5.028  -4.176   3.734
   76   HD21  LEU   9          HD21      LEU   9  -3.021  -2.064   6.204
   77   HD22  LEU   9          HD22      LEU   9  -1.628  -3.120   5.968
   78   HD23  LEU   9          HD23      LEU   9  -3.118  -3.766   6.657
   79    H    ARG  10           HN       ARG  10  -1.083  -6.400   1.297
   80    HA   ARG  10           HA       ARG  10   1.322  -7.159   2.650
   81    HB2  ARG  10           HB2      ARG  10  -0.208  -8.445   0.409
   82    HB3  ARG  10           HB1      ARG  10   1.186  -9.138   1.210
   83    HG2  ARG  10           HG2      ARG  10  -0.956 -10.080   1.993
   84    HG3  ARG  10           HG1      ARG  10  -0.009  -9.340   3.276
   85    HD2  ARG  10           HD2      ARG  10  -2.121  -7.654   1.946
   86    HD3  ARG  10           HD1      ARG  10  -2.625  -8.935   3.042
   87    HE   ARG  10           HE       ARG  10  -1.463  -6.456   3.736
   88   HH11  ARG  10          HH11      ARG  10  -1.657  -9.810   4.689
   89   HH12  ARG  10          HH12      ARG  10  -1.297  -9.497   6.353
   90   HH21  ARG  10          HH21      ARG  10  -0.968  -6.046   5.951
   91   HH22  ARG  10          HH22      ARG  10  -0.913  -7.366   7.068
   92    H    LEU  11           HN       LEU  11   0.110  -5.880  -0.350
   93    HA   LEU  11           HA       LEU  11   2.732  -5.706  -1.644
   94    HB2  LEU  11           HB2      LEU  11   1.521  -5.796  -3.540
   95    HB3  LEU  11           HB1      LEU  11   0.120  -6.090  -2.541
   96    HG   LEU  11           HG       LEU  11   0.572  -3.203  -2.836
   97   HD11  LEU  11          HD11      LEU  11   0.014  -3.086  -5.208
   98   HD12  LEU  11          HD12      LEU  11   0.184  -4.836  -5.345
   99   HD13  LEU  11          HD13      LEU  11   1.587  -3.842  -4.956
  100   HD21  LEU  11          HD21      LEU  11  -1.520  -3.833  -2.116
  101   HD22  LEU  11          HD22      LEU  11  -1.615  -5.201  -3.229
  102   HD23  LEU  11          HD23      LEU  11  -1.792  -3.556  -3.839
  103    H    TRP  12           HN       TRP  12   0.002  -3.673  -1.140
  104    HA   TRP  12           HA       TRP  12   0.984  -1.228  -1.617
  105    HB2  TRP  12           HB2      TRP  12  -1.189  -0.996  -1.448
  106    HB3  TRP  12           HB1      TRP  12  -1.341  -2.414  -0.441
  107    HD1  TRP  12           HD1      TRP  12  -2.002   1.023  -0.471
  108    HE1  TRP  12           HE1      TRP  12  -2.459   1.976   1.901
  109    HE3  TRP  12           HE3      TRP  12  -0.097  -2.784   2.203
  110    HZ2  TRP  12           HZ2      TRP  12  -2.053   1.114   4.583
  111    HZ3  TRP  12           HZ3      TRP  12  -0.166  -2.722   4.654
  112    HH2  TRP  12           HH2      TRP  12  -1.110  -0.786   5.830
  113    H    ALA  13           HN       ALA  13   1.786  -3.219   1.046
  114    HA   ALA  13           HA       ALA  13   2.378  -1.129   2.914
  115    HB1  ALA  13           HB1      ALA  13   2.622  -4.064   2.845
  116    HB2  ALA  13           HB2      ALA  13   2.053  -3.003   4.133
  117    HB3  ALA  13           HB3      ALA  13   3.783  -3.215   3.864
  118    H    LEU  14           HN       LEU  14   4.352  -3.287   0.884
  119    HA   LEU  14           HA       LEU  14   6.755  -1.798   1.505
  120    HB2  LEU  14           HB2      LEU  14   6.135  -4.376   0.495
  121    HB3  LEU  14           HB1      LEU  14   7.117  -3.567  -0.711
  122    HG   LEU  14           HG       LEU  14   8.536  -4.852   0.758
  123   HD11  LEU  14          HD11      LEU  14   9.862  -3.122   0.192
  124   HD12  LEU  14          HD12      LEU  14   9.702  -2.709   1.899
  125   HD13  LEU  14          HD13      LEU  14   8.684  -1.912   0.700
  126   HD21  LEU  14          HD21      LEU  14   7.248  -3.266   2.973
  127   HD22  LEU  14          HD22      LEU  14   8.693  -4.259   3.169
  128   HD23  LEU  14          HD23      LEU  14   7.162  -5.008   2.715
  129    H    SER  15           HN       SER  15   4.267  -1.583  -0.818
  130    HA   SER  15           HA       SER  15   5.950  -0.212  -2.767
  131    HB2  SER  15           HB2      SER  15   2.990  -0.570  -3.076
  132    HB3  SER  15           HB1      SER  15   4.240  -0.506  -4.318
  133    HG   SER  15           HG       SER  15   3.185  -2.648  -3.394
  134    H    LEU  16           HN       LEU  16   2.990   0.423  -0.894
  135    HA   LEU  16           HA       LEU  16   2.890   3.173  -1.639
  136    HB2  LEU  16           HB2      LEU  16   1.008   1.561  -0.791
  137    HB3  LEU  16           HB1      LEU  16   1.513   2.123   0.792
  138    HG   LEU  16           HG       LEU  16   1.161   4.494  -0.142
  139   HD11  LEU  16          HD11      LEU  16  -0.865   4.154  -1.887
  140   HD12  LEU  16          HD12      LEU  16   0.188   2.819  -2.355
  141   HD13  LEU  16          HD13      LEU  16   0.804   4.471  -2.362
  142   HD21  LEU  16          HD21      LEU  16  -0.410   2.843   1.313
  143   HD22  LEU  16          HD22      LEU  16  -1.476   3.194  -0.048
  144   HD23  LEU  16          HD23      LEU  16  -0.822   4.513   0.923
  145    H    ALA  17           HN       ALA  17   4.970   1.601   0.400
  146    HA   ALA  17           HA       ALA  17   5.116   3.811   2.330
  147    HB1  ALA  17           HB1      ALA  17   6.598   2.547   3.674
  148    HB2  ALA  17           HB2      ALA  17   6.910   1.378   2.397
  149    HB3  ALA  17           HB3      ALA  17   5.323   1.438   3.181
  150    H    HIS  18           HN       HIS  18   7.115   2.276  -0.155
  151    HA   HIS  18           HA       HIS  18   9.372   3.927   0.215
  152    HB2  HIS  18           HB2      HIS  18  10.089   3.158  -1.992
  153    HB3  HIS  18           HB1      HIS  18   9.477   1.818  -1.033
  154    HD1  HIS  18           HD1      HIS  18   7.759   4.257  -3.423
  155    HD2  HIS  18           HD2      HIS  18   8.139   0.189  -2.680
  156    HE1  HIS  18           HE1      HIS  18   6.310   3.125  -5.136
  157    HE2  HIS  18           HE2      HIS  18   6.599   0.660  -4.703
  158    H    ALA  19           HN       ALA  19   6.306   4.543  -1.192
  159    HA   ALA  19           HA       ALA  19   7.123   6.630  -2.968
  160    HB1  ALA  19           HB1      ALA  19   4.533   5.544  -2.005
  161    HB2  ALA  19           HB2      ALA  19   5.115   5.793  -3.651
  162    HB3  ALA  19           HB3      ALA  19   4.548   7.166  -2.699
  163    H    GLN  20           HN       GLN  20   5.978   6.480   0.357
  164    HA   GLN  20           HA       GLN  20   5.654   9.289   0.673
  165    HB2  GLN  20           HB2      GLN  20   5.843   6.980   2.585
  166    HB3  GLN  20           HB1      GLN  20   5.789   8.638   3.170
  167    HG2  GLN  20           HG2      GLN  20   3.632   8.985   2.327
  168    HG3  GLN  20           HG1      GLN  20   3.715   7.556   1.297
  169   HE21  GLN  20          HE21      GLN  20   4.475   5.583   2.870
  170   HE22  GLN  20          HE22      GLN  20   3.373   5.341   4.179
  171    H    LEU  21           HN       LEU  21   8.414   7.388   0.388
  172    HA   LEU  21           HA       LEU  21  10.074   8.970   2.148
  173    HB2  LEU  21           HB2      LEU  21  10.563   6.667   0.293
  174    HB3  LEU  21           HB1      LEU  21  11.909   7.584   0.944
  175    HG   LEU  21           HG       LEU  21   9.879   6.502   2.844
  176   HD11  LEU  21          HD11      LEU  21  12.120   4.700   2.336
  177   HD12  LEU  21          HD12      LEU  21  10.973   4.804   1.001
  178   HD13  LEU  21          HD13      LEU  21  10.414   4.345   2.610
  179   HD21  LEU  21          HD21      LEU  21  11.509   6.782   4.398
  180   HD22  LEU  21          HD22      LEU  21  12.057   7.986   3.231
  181   HD23  LEU  21          HD23      LEU  21  12.807   6.391   3.270
  182    H    SER  22           HN       SER  22   9.063   9.031  -1.137
  183    HA   SER  22           HA       SER  22  11.284  10.596  -2.095
  184    HB2  SER  22           HB2      SER  22   9.844   9.016  -3.500
  185    HB3  SER  22           HB1      SER  22   8.610  10.275  -3.458
  186    HG   SER  22           HG       SER  22  10.177  10.252  -5.288
  187    H    SER  23           HN       SER  23   8.132  11.183  -0.741
  188    HA   SER  23           HA       SER  23   8.707  13.907  -0.223
  189    HB2  SER  23           HB2      SER  23   8.233  14.288  -2.550
  190    HB3  SER  23           HB1      SER  23   6.766  13.313  -2.465
  191    HG   SER  23           HG       SER  23   5.999  15.314  -2.250
  192    H    LYS  24           HN       LYS  24   7.963  13.804   1.807
  193    HA   LYS  24           HA       LYS  24   5.639  12.312   2.541
  194    HB2  LYS  24           HB2      LYS  24   7.812  13.592   3.880
  195    HB3  LYS  24           HB1      LYS  24   6.312  14.185   4.578
  196    HG2  LYS  24           HG2      LYS  24   5.742  12.155   5.436
  197    HG3  LYS  24           HG1      LYS  24   6.586  11.259   4.171
  198    HD2  LYS  24           HD2      LYS  24   8.614  11.400   5.235
  199    HD3  LYS  24           HD1      LYS  24   8.194  12.898   6.067
  200    HE2  LYS  24           HE2      LYS  24   6.485  10.697   6.867
  201    HE3  LYS  24           HE1      LYS  24   8.190  10.340   7.144
  202    HZ1  LYS  24           HZ1      LYS  24   6.864  12.829   8.064
  203    HZ2  LYS  24           HZ2      LYS  24   8.411  12.281   8.472
  204    HZ3  LYS  24           HZ3      LYS  24   7.046  11.452   9.030
  205    H    LYS  25           HN       LYS  25   6.336  15.800   2.851
  206    HA   LYS  25           HA       LYS  25   3.632  16.408   1.945
  207    HB2  LYS  25           HB2      LYS  25   4.713  17.357   4.606
  208    HB3  LYS  25           HB1      LYS  25   3.208  17.891   3.871
  209    HG2  LYS  25           HG2      LYS  25   3.780  15.028   4.592
  210    HG3  LYS  25           HG1      LYS  25   2.964  16.169   5.663
  211    HD2  LYS  25           HD2      LYS  25   1.280  16.535   3.845
  212    HD3  LYS  25           HD1      LYS  25   2.042  15.214   2.956
  213    HE2  LYS  25           HE2      LYS  25   1.488  13.646   4.664
  214    HE3  LYS  25           HE1      LYS  25   0.963  14.930   5.753
  215    HZ1  LYS  25           HZ1      LYS  25  -0.646  15.380   3.704
  216    HZ2  LYS  25           HZ2      LYS  25  -1.045  14.321   4.961
  217    HZ3  LYS  25           HZ3      LYS  25  -0.433  13.712   3.507
  Start of MODEL    8
    1    H1   LYS   1           HT1      LYS   1 -13.136  -4.168  -4.548
    2    H2   LYS   1           HT2      LYS   1 -13.154  -2.556  -3.959
    3    H3   LYS   1           HT3      LYS   1 -14.270  -3.708  -3.348
    4    HA   LYS   1           HA       LYS   1 -11.357  -3.986  -3.102
    5    HB2  LYS   1           HB2      LYS   1 -13.383  -2.620  -1.334
    6    HB3  LYS   1           HB1      LYS   1 -11.856  -3.225  -0.705
    7    HG2  LYS   1           HG2      LYS   1 -10.640  -1.592  -1.696
    8    HG3  LYS   1           HG1      LYS   1 -11.720  -1.476  -3.086
    9    HD2  LYS   1           HD2      LYS   1 -12.709  -0.610  -0.410
   10    HD3  LYS   1           HD1      LYS   1 -11.608   0.447  -1.296
   11    HE2  LYS   1           HE2      LYS   1 -13.979  -0.700  -2.697
   12    HE3  LYS   1           HE1      LYS   1 -14.206   0.658  -1.595
   13    HZ1  LYS   1           HZ1      LYS   1 -12.889   2.035  -2.900
   14    HZ2  LYS   1           HZ2      LYS   1 -13.775   1.160  -4.044
   15    HZ3  LYS   1           HZ3      LYS   1 -12.165   0.749  -3.729
   16    H    LYS   2           HN       LYS   2 -11.154  -6.141  -3.011
   17    HA   LYS   2           HA       LYS   2 -12.487  -7.560  -0.863
   18    HB2  LYS   2           HB2      LYS   2 -13.507  -7.709  -3.547
   19    HB3  LYS   2           HB1      LYS   2 -12.747  -9.259  -3.188
   20    HG2  LYS   2           HG2      LYS   2 -14.166  -9.636  -1.338
   21    HG3  LYS   2           HG1      LYS   2 -14.740  -7.967  -1.342
   22    HD2  LYS   2           HD2      LYS   2 -15.370  -8.785  -3.870
   23    HD3  LYS   2           HD1      LYS   2 -15.609 -10.266  -2.941
   24    HE2  LYS   2           HE2      LYS   2 -16.847  -8.551  -1.315
   25    HE3  LYS   2           HE1      LYS   2 -17.074  -7.691  -2.837
   26    HZ1  LYS   2           HZ1      LYS   2 -18.931  -9.105  -2.539
   27    HZ2  LYS   2           HZ2      LYS   2 -17.962 -10.441  -2.169
   28    HZ3  LYS   2           HZ3      LYS   2 -17.980  -9.821  -3.743
   29    H    SER   3           HN       SER   3 -10.890  -8.621  -3.875
   30    HA   SER   3           HA       SER   3  -9.083 -10.283  -2.343
   31    HB2  SER   3           HB2      SER   3  -9.704  -9.938  -5.255
   32    HB3  SER   3           HB1      SER   3  -8.209 -10.741  -4.777
   33    HG   SER   3           HG       SER   3 -10.485 -11.601  -3.462
   34    H    HIS   4           HN       HIS   4  -8.834  -7.490  -4.522
   35    HA   HIS   4           HA       HIS   4  -6.031  -7.279  -4.477
   36    HB2  HIS   4           HB2      HIS   4  -8.072  -5.969  -5.775
   37    HB3  HIS   4           HB1      HIS   4  -7.453  -4.723  -4.695
   38    HD1  HIS   4           HD1      HIS   4  -6.646  -6.608  -7.773
   39    HD2  HIS   4           HD2      HIS   4  -4.735  -3.989  -5.174
   40    HE1  HIS   4           HE1      HIS   4  -4.557  -5.878  -8.970
   41    HE2  HIS   4           HE2      HIS   4  -3.361  -4.385  -7.330
   42    H    THR   5           HN       THR   5  -8.517  -5.781  -2.429
   43    HA   THR   5           HA       THR   5  -6.813  -4.116  -0.960
   44    HB   THR   5           HB       THR   5  -9.266  -3.918  -0.928
   45    HG1  THR   5           HG1      THR   5  -9.433  -3.519   1.303
   46   HG21  THR   5          HG21      THR   5  -9.238  -6.640  -0.254
   47   HG22  THR   5          HG22      THR   5 -10.632  -5.574  -0.419
   48   HG23  THR   5          HG23      THR   5  -9.859  -5.778   1.153
   49    H    ALA   6           HN       ALA   6  -7.557  -7.518  -0.633
   50    HA   ALA   6           HA       ALA   6  -6.618  -7.977   1.951
   51    HB1  ALA   6           HB1      ALA   6  -6.502  -9.803  -0.445
   52    HB2  ALA   6           HB2      ALA   6  -7.845  -9.650   0.688
   53    HB3  ALA   6           HB3      ALA   6  -6.299 -10.302   1.234
   54    H    SER   7           HN       SER   7  -4.818  -8.947  -0.949
   55    HA   SER   7           HA       SER   7  -2.293  -8.989   0.368
   56    HB2  SER   7           HB2      SER   7  -2.750 -10.377  -1.595
   57    HB3  SER   7           HB1      SER   7  -2.962  -8.936  -2.589
   58    HG   SER   7           HG       SER   7  -0.832  -8.529  -2.485
   59    H    TYR   8           HN       TYR   8  -4.070  -6.265  -0.355
   60    HA   TYR   8           HA       TYR   8  -1.918  -4.770  -1.461
   61    HB2  TYR   8           HB2      TYR   8  -3.426  -3.222  -1.835
   62    HB3  TYR   8           HB1      TYR   8  -4.640  -4.176  -0.975
   63    HD1  TYR   8           HD1      TYR   8  -4.043  -1.087  -1.359
   64    HD2  TYR   8           HD2      TYR   8  -3.511  -3.844   1.864
   65    HE1  TYR   8           HE1      TYR   8  -4.143   0.777   0.230
   66    HE2  TYR   8           HE2      TYR   8  -3.585  -1.937   3.454
   67    HH   TYR   8           HH       TYR   8  -3.802   1.402   2.370
   68    H    LEU   9           HN       LEU   9  -3.020  -5.511   1.792
   69    HA   LEU   9           HA       LEU   9  -1.249  -3.604   2.920
   70    HB2  LEU   9           HB2      LEU   9  -3.006  -5.703   3.975
   71    HB3  LEU   9           HB1      LEU   9  -1.569  -5.395   4.932
   72    HG   LEU   9           HG       LEU   9  -2.559  -2.850   4.385
   73   HD11  LEU   9          HD11      LEU   9  -4.822  -4.736   5.074
   74   HD12  LEU   9          HD12      LEU   9  -4.655  -3.790   3.595
   75   HD13  LEU   9          HD13      LEU   9  -4.903  -2.976   5.139
   76   HD21  LEU   9          HD21      LEU   9  -1.886  -4.451   6.601
   77   HD22  LEU   9          HD22      LEU   9  -3.503  -3.827   6.925
   78   HD23  LEU   9          HD23      LEU   9  -2.182  -2.714   6.575
   79    H    ARG  10           HN       ARG  10  -0.925  -6.285   1.204
   80    HA   ARG  10           HA       ARG  10   1.485  -7.330   2.344
   81    HB2  ARG  10           HB2      ARG  10  -0.182  -8.263   0.024
   82    HB3  ARG  10           HB1      ARG  10   1.195  -9.111   0.698
   83    HG2  ARG  10           HG2      ARG  10  -0.961 -10.041   1.440
   84    HG3  ARG  10           HG1      ARG  10   0.044  -9.481   2.770
   85    HD2  ARG  10           HD2      ARG  10  -2.010  -7.562   1.702
   86    HD3  ARG  10           HD1      ARG  10  -2.568  -8.952   2.623
   87    HE   ARG  10           HE       ARG  10  -1.200  -6.661   3.615
   88   HH11  ARG  10          HH11      ARG  10  -1.896 -10.034   4.171
   89   HH12  ARG  10          HH12      ARG  10  -1.564  -9.962   5.869
   90   HH21  ARG  10          HH21      ARG  10  -0.732  -6.574   5.875
   91   HH22  ARG  10          HH22      ARG  10  -0.907  -8.004   6.832
   92    H    LEU  11           HN       LEU  11   0.278  -5.435  -0.288
   93    HA   LEU  11           HA       LEU  11   2.881  -5.275  -1.664
   94    HB2  LEU  11           HB2      LEU  11   1.659  -5.014  -3.539
   95    HB3  LEU  11           HB1      LEU  11   0.262  -5.431  -2.580
   96    HG   LEU  11           HG       LEU  11   0.777  -2.543  -2.423
   97   HD11  LEU  11          HD11      LEU  11  -0.005  -3.475  -5.153
   98   HD12  LEU  11          HD12      LEU  11   1.698  -3.254  -4.751
   99   HD13  LEU  11          HD13      LEU  11   0.578  -1.898  -4.621
  100   HD21  LEU  11          HD21      LEU  11  -1.435  -4.441  -2.987
  101   HD22  LEU  11          HD22      LEU  11  -1.610  -2.770  -3.524
  102   HD23  LEU  11          HD23      LEU  11  -1.328  -3.124  -1.815
  103    H    TRP  12           HN       TRP  12   0.246  -3.226  -0.824
  104    HA   TRP  12           HA       TRP  12   1.302  -0.776  -0.966
  105    HB2  TRP  12           HB2      TRP  12  -0.852  -0.500  -0.658
  106    HB3  TRP  12           HB1      TRP  12  -1.015  -2.049   0.132
  107    HD1  TRP  12           HD1      TRP  12  -1.486   1.389   0.648
  108    HE1  TRP  12           HE1      TRP  12  -1.827   1.982   3.152
  109    HE3  TRP  12           HE3      TRP  12   0.269  -2.881   2.627
  110    HZ2  TRP  12           HZ2      TRP  12  -1.393   0.693   5.648
  111    HZ3  TRP  12           HZ3      TRP  12   0.281  -3.193   5.059
  112    HH2  TRP  12           HH2      TRP  12  -0.519  -1.420   6.552
  113    H    ALA  13           HN       ALA  13   1.955  -3.171   1.432
  114    HA   ALA  13           HA       ALA  13   2.816  -1.385   3.498
  115    HB1  ALA  13           HB1      ALA  13   3.905  -3.583   4.354
  116    HB2  ALA  13           HB2      ALA  13   2.950  -4.338   3.078
  117    HB3  ALA  13           HB3      ALA  13   2.149  -3.424   4.355
  118    H    LEU  14           HN       LEU  14   4.665  -3.745   1.546
  119    HA   LEU  14           HA       LEU  14   7.178  -2.685   2.179
  120    HB2  LEU  14           HB2      LEU  14   8.049  -3.973   0.359
  121    HB3  LEU  14           HB1      LEU  14   6.789  -4.905   1.144
  122    HG   LEU  14           HG       LEU  14   5.426  -3.594  -0.871
  123   HD11  LEU  14          HD11      LEU  14   7.308  -2.790  -2.017
  124   HD12  LEU  14          HD12      LEU  14   6.824  -4.244  -2.891
  125   HD13  LEU  14          HD13      LEU  14   8.197  -4.295  -1.785
  126   HD21  LEU  14          HD21      LEU  14   4.734  -5.697  -1.019
  127   HD22  LEU  14          HD22      LEU  14   6.142  -6.260  -0.120
  128   HD23  LEU  14          HD23      LEU  14   6.221  -6.103  -1.874
  129    H    SER  15           HN       SER  15   4.733  -1.564   0.032
  130    HA   SER  15           HA       SER  15   6.567   0.214  -1.377
  131    HB2  SER  15           HB2      SER  15   3.592  -0.224  -1.733
  132    HB3  SER  15           HB1      SER  15   4.599   0.809  -2.748
  133    HG   SER  15           HG       SER  15   4.436  -1.966  -2.629
  134    H    LEU  16           HN       LEU  16   4.657   0.223   1.393
  135    HA   LEU  16           HA       LEU  16   3.738   2.908   1.380
  136    HB2  LEU  16           HB2      LEU  16   3.396   0.689   3.003
  137    HB3  LEU  16           HB1      LEU  16   4.289   1.801   4.020
  138    HG   LEU  16           HG       LEU  16   1.734   2.540   2.600
  139   HD11  LEU  16          HD11      LEU  16   0.563   2.159   4.640
  140   HD12  LEU  16          HD12      LEU  16   2.058   1.780   5.495
  141   HD13  LEU  16          HD13      LEU  16   1.450   0.685   4.253
  142   HD21  LEU  16          HD21      LEU  16   2.561   4.571   3.128
  143   HD22  LEU  16          HD22      LEU  16   3.650   3.928   4.357
  144   HD23  LEU  16          HD23      LEU  16   1.944   4.173   4.732
  145    H    ALA  17           HN       ALA  17   6.827   1.597   1.653
  146    HA   ALA  17           HA       ALA  17   7.824   3.798   3.320
  147    HB1  ALA  17           HB1      ALA  17   9.582   1.610   2.217
  148    HB2  ALA  17           HB2      ALA  17   8.677   1.440   3.729
  149    HB3  ALA  17           HB3      ALA  17   9.889   2.703   3.563
  150    H    HIS  18           HN       HIS  18   8.981   2.307   0.293
  151    HA   HIS  18           HA       HIS  18  10.526   4.482  -0.509
  152    HB2  HIS  18           HB2      HIS  18  10.653   3.439  -2.653
  153    HB3  HIS  18           HB1      HIS  18  10.581   2.152  -1.454
  154    HD1  HIS  18           HD1      HIS  18   8.287   3.943  -3.886
  155    HD2  HIS  18           HD2      HIS  18   8.616   0.339  -1.857
  156    HE1  HIS  18           HE1      HIS  18   6.461   2.483  -4.816
  157    HE2  HIS  18           HE2      HIS  18   6.786   0.255  -3.687
  158    H    ALA  19           HN       ALA  19   7.105   4.109  -0.557
  159    HA   ALA  19           HA       ALA  19   6.552   5.941  -2.675
  160    HB1  ALA  19           HB1      ALA  19   4.230   5.932  -1.598
  161    HB2  ALA  19           HB2      ALA  19   4.886   4.711  -0.507
  162    HB3  ALA  19           HB3      ALA  19   4.843   4.409  -2.244
  163    H    GLN  20           HN       GLN  20   7.084   6.248   0.767
  164    HA   GLN  20           HA       GLN  20   5.978   8.832   1.089
  165    HB2  GLN  20           HB2      GLN  20   7.906   7.165   2.659
  166    HB3  GLN  20           HB1      GLN  20   7.659   8.850   3.093
  167    HG2  GLN  20           HG2      GLN  20   5.412   8.504   3.636
  168    HG3  GLN  20           HG1      GLN  20   5.359   6.956   2.795
  169   HE21  GLN  20          HE21      GLN  20   7.456   5.610   3.728
  170   HE22  GLN  20          HE22      GLN  20   7.340   5.371   5.435
  171    H    LEU  21           HN       LEU  21   8.925   7.740  -0.315
  172    HA   LEU  21           HA       LEU  21  10.417  10.139   0.087
  173    HB2  LEU  21           HB2      LEU  21  10.777   7.857  -1.850
  174    HB3  LEU  21           HB1      LEU  21  11.913   9.181  -1.678
  175    HG   LEU  21           HG       LEU  21  11.182   7.217   0.495
  176   HD11  LEU  21          HD11      LEU  21  12.547   5.901  -0.721
  177   HD12  LEU  21          HD12      LEU  21  13.810   6.861   0.050
  178   HD13  LEU  21          HD13      LEU  21  13.271   7.259  -1.581
  179   HD21  LEU  21          HD21      LEU  21  13.344   8.317   1.461
  180   HD22  LEU  21          HD22      LEU  21  11.779   9.104   1.669
  181   HD23  LEU  21          HD23      LEU  21  12.889   9.663   0.417
  182    H    SER  22           HN       SER  22   7.942   9.217  -2.098
  183    HA   SER  22           HA       SER  22   8.670  10.978  -4.231
  184    HB2  SER  22           HB2      SER  22   5.867  10.002  -3.754
  185    HB3  SER  22           HB1      SER  22   6.692  10.297  -5.284
  186    HG   SER  22           HG       SER  22   6.595   8.040  -3.785
  187    H    SER  23           HN       SER  23   6.370  11.126  -1.541
  188    HA   SER  23           HA       SER  23   6.487  14.026  -1.607
  189    HB2  SER  23           HB2      SER  23   3.905  12.494  -1.985
  190    HB3  SER  23           HB1      SER  23   3.976  14.199  -1.541
  191    HG   SER  23           HG       SER  23   3.793  14.103  -3.746
  192    H    LYS  24           HN       LYS  24   4.234  11.685  -0.162
  193    HA   LYS  24           HA       LYS  24   5.447  11.649   2.381
  194    HB2  LYS  24           HB2      LYS  24   3.857  13.958   1.842
  195    HB3  LYS  24           HB1      LYS  24   3.017  12.978   3.036
  196    HG2  LYS  24           HG2      LYS  24   4.533  13.394   4.641
  197    HG3  LYS  24           HG1      LYS  24   5.893  13.353   3.517
  198    HD2  LYS  24           HD2      LYS  24   5.399  15.588   2.762
  199    HD3  LYS  24           HD1      LYS  24   3.923  15.628   3.729
  200    HE2  LYS  24           HE2      LYS  24   5.445  16.822   5.021
  201    HE3  LYS  24           HE1      LYS  24   5.477  15.210   5.736
  202    HZ1  LYS  24           HZ1      LYS  24   7.602  14.930   5.168
  203    HZ2  LYS  24           HZ2      LYS  24   7.648  16.604   4.931
  204    HZ3  LYS  24           HZ3      LYS  24   7.390  15.572   3.616
  205    H    LYS  25           HN       LYS  25   1.989  11.988   1.662
  206    HA   LYS  25           HA       LYS  25   1.629   9.186   2.497
  207    HB2  LYS  25           HB2      LYS  25   0.500  11.228   3.699
  208    HB3  LYS  25           HB1      LYS  25  -0.624  11.154   2.348
  209    HG2  LYS  25           HG2      LYS  25  -0.001   8.782   4.085
  210    HG3  LYS  25           HG1      LYS  25  -1.307   9.918   4.431
  211    HD2  LYS  25           HD2      LYS  25  -1.682   9.287   1.765
  212    HD3  LYS  25           HD1      LYS  25  -1.179   7.756   2.487
  213    HE2  LYS  25           HE2      LYS  25  -3.578   7.924   2.588
  214    HE3  LYS  25           HE1      LYS  25  -2.922   8.050   4.219
  215    HZ1  LYS  25           HZ1      LYS  25  -4.487   9.925   2.758
  216    HZ2  LYS  25           HZ2      LYS  25  -3.049  10.633   3.297
  217    HZ3  LYS  25           HZ3      LYS  25  -4.100   9.905   4.405
  Start of MODEL    9
    1    H1   LYS   1           HT1      LYS   1 -14.466  -5.015  -1.337
    2    H2   LYS   1           HT2      LYS   1 -15.018  -4.902   0.285
    3    H3   LYS   1           HT3      LYS   1 -15.938  -5.766  -0.879
    4    HA   LYS   1           HA       LYS   1 -13.385  -6.473   0.368
    5    HB2  LYS   1           HB2      LYS   1 -16.159  -7.601   0.161
    6    HB3  LYS   1           HB1      LYS   1 -14.802  -8.661   0.516
    7    HG2  LYS   1           HG2      LYS   1 -14.313  -7.495   2.530
    8    HG3  LYS   1           HG1      LYS   1 -15.451  -6.207   2.128
    9    HD2  LYS   1           HD2      LYS   1 -16.880  -7.355   3.427
   10    HD3  LYS   1           HD1      LYS   1 -17.056  -8.405   2.020
   11    HE2  LYS   1           HE2      LYS   1 -15.166  -9.780   2.926
   12    HE3  LYS   1           HE1      LYS   1 -15.246  -8.808   4.395
   13    HZ1  LYS   1           HZ1      LYS   1 -17.159 -10.782   3.368
   14    HZ2  LYS   1           HZ2      LYS   1 -17.740  -9.504   4.311
   15    HZ3  LYS   1           HZ3      LYS   1 -16.582 -10.562   4.944
   16    H    LYS   2           HN       LYS   2 -11.859  -7.152  -0.981
   17    HA   LYS   2           HA       LYS   2 -12.508  -9.056  -3.069
   18    HB2  LYS   2           HB2      LYS   2 -12.183  -6.266  -3.703
   19    HB3  LYS   2           HB1      LYS   2 -10.770  -7.119  -4.322
   20    HG2  LYS   2           HG2      LYS   2 -12.451  -8.758  -5.356
   21    HG3  LYS   2           HG1      LYS   2 -13.658  -7.513  -5.026
   22    HD2  LYS   2           HD2      LYS   2 -11.388  -6.289  -6.249
   23    HD3  LYS   2           HD1      LYS   2 -11.863  -7.689  -7.212
   24    HE2  LYS   2           HE2      LYS   2 -14.118  -6.059  -6.318
   25    HE3  LYS   2           HE1      LYS   2 -12.987  -5.190  -7.355
   26    HZ1  LYS   2           HZ1      LYS   2 -14.612  -6.198  -8.734
   27    HZ2  LYS   2           HZ2      LYS   2 -14.431  -7.704  -7.985
   28    HZ3  LYS   2           HZ3      LYS   2 -13.183  -7.080  -8.941
   29    H    SER   3           HN       SER   3 -10.253  -9.407  -4.359
   30    HA   SER   3           HA       SER   3  -8.474 -10.435  -2.381
   31    HB2  SER   3           HB2      SER   3  -8.908 -11.517  -4.603
   32    HB3  SER   3           HB1      SER   3  -7.994 -10.213  -5.360
   33    HG   SER   3           HG       SER   3  -6.321 -11.406  -4.953
   34    H    HIS   4           HN       HIS   4  -8.409  -7.686  -4.587
   35    HA   HIS   4           HA       HIS   4  -5.782  -6.884  -4.389
   36    HB2  HIS   4           HB2      HIS   4  -7.385  -5.778  -5.859
   37    HB3  HIS   4           HB1      HIS   4  -8.252  -5.135  -4.468
   38    HD1  HIS   4           HD1      HIS   4  -5.520  -4.385  -6.768
   39    HD2  HIS   4           HD2      HIS   4  -6.697  -3.172  -2.972
   40    HE1  HIS   4           HE1      HIS   4  -4.251  -2.261  -6.317
   41    HE2  HIS   4           HE2      HIS   4  -4.900  -1.604  -3.974
   42    H    THR   5           HN       THR   5  -8.415  -5.531  -2.390
   43    HA   THR   5           HA       THR   5  -6.980  -4.068  -0.609
   44    HB   THR   5           HB       THR   5  -9.336  -3.986  -0.460
   45    HG1  THR   5           HG1      THR   5  -9.686  -4.374   1.738
   46   HG21  THR   5          HG21      THR   5  -9.330  -6.903   0.271
   47   HG22  THR   5          HG22      THR   5  -9.897  -6.212  -1.249
   48   HG23  THR   5          HG23      THR   5 -10.737  -5.841   0.257
   49    H    ALA   6           HN       ALA   6  -7.582  -7.556  -0.395
   50    HA   ALA   6           HA       ALA   6  -6.390  -8.015   2.090
   51    HB1  ALA   6           HB1      ALA   6  -6.001 -10.355   1.153
   52    HB2  ALA   6           HB2      ALA   6  -6.758  -9.762  -0.325
   53    HB3  ALA   6           HB3      ALA   6  -7.664  -9.770   1.188
   54    H    SER   7           HN       SER   7  -4.916  -8.949  -0.999
   55    HA   SER   7           HA       SER   7  -2.260  -9.032   0.029
   56    HB2  SER   7           HB2      SER   7  -3.271 -10.222  -2.046
   57    HB3  SER   7           HB1      SER   7  -2.920  -8.715  -2.893
   58    HG   SER   7           HG       SER   7  -0.974 -10.100  -1.376
   59    H    TYR   8           HN       TYR   8  -4.086  -6.289  -0.407
   60    HA   TYR   8           HA       TYR   8  -2.032  -4.777  -1.692
   61    HB2  TYR   8           HB2      TYR   8  -3.525  -3.178  -1.893
   62    HB3  TYR   8           HB1      TYR   8  -4.705  -4.185  -1.045
   63    HD1  TYR   8           HD1      TYR   8  -3.390  -4.007   1.753
   64    HD2  TYR   8           HD2      TYR   8  -4.199  -1.084  -1.256
   65    HE1  TYR   8           HE1      TYR   8  -3.396  -2.211   3.452
   66    HE2  TYR   8           HE2      TYR   8  -4.232   0.680   0.447
   67    HH   TYR   8           HH       TYR   8  -3.363   0.034   3.792
   68    H    LEU   9           HN       LEU   9  -2.847  -5.652   1.597
   69    HA   LEU   9           HA       LEU   9  -1.039  -3.737   2.656
   70    HB2  LEU   9           HB2      LEU   9  -2.765  -5.796   3.761
   71    HB3  LEU   9           HB1      LEU   9  -1.222  -5.699   4.588
   72    HG   LEU   9           HG       LEU   9  -2.193  -3.037   4.240
   73   HD11  LEU   9          HD11      LEU   9  -4.160  -4.719   5.772
   74   HD12  LEU   9          HD12      LEU   9  -4.395  -4.352   4.064
   75   HD13  LEU   9          HD13      LEU   9  -4.307  -3.043   5.242
   76   HD21  LEU   9          HD21      LEU   9  -2.181  -4.576   6.819
   77   HD22  LEU   9          HD22      LEU   9  -1.796  -2.880   6.532
   78   HD23  LEU   9          HD23      LEU   9  -0.676  -4.139   6.011
   79    H    ARG  10           HN       ARG  10  -0.796  -6.342   0.825
   80    HA   ARG  10           HA       ARG  10   1.689  -7.410   1.759
   81    HB2  ARG  10           HB2      ARG  10  -0.103  -8.197  -0.520
   82    HB3  ARG  10           HB1      ARG  10   1.331  -9.067  -0.014
   83    HG2  ARG  10           HG2      ARG  10  -0.790 -10.072   0.787
   84    HG3  ARG  10           HG1      ARG  10   0.339  -9.662   2.071
   85    HD2  ARG  10           HD2      ARG  10  -1.817  -7.670   1.362
   86    HD3  ARG  10           HD1      ARG  10  -2.233  -9.110   2.286
   87    HE   ARG  10           HE       ARG  10  -0.920  -6.824   3.242
   88   HH11  ARG  10          HH11      ARG  10  -0.905 -10.304   3.533
   89   HH12  ARG  10          HH12      ARG  10  -0.236 -10.301   5.130
   90   HH21  ARG  10          HH21      ARG  10  -0.017  -6.824   5.360
   91   HH22  ARG  10          HH22      ARG  10   0.263  -8.330   6.165
   92    H    LEU  11           HN       LEU  11   0.263  -5.558  -0.823
   93    HA   LEU  11           HA       LEU  11   2.761  -5.203  -2.311
   94    HB2  LEU  11           HB2      LEU  11   1.374  -4.897  -4.060
   95    HB3  LEU  11           HB1      LEU  11   0.060  -5.338  -2.998
   96    HG   LEU  11           HG       LEU  11   0.616  -2.462  -2.792
   97   HD11  LEU  11          HD11      LEU  11   1.390  -2.836  -5.125
   98   HD12  LEU  11          HD12      LEU  11  -0.049  -1.823  -5.001
   99   HD13  LEU  11          HD13      LEU  11  -0.197  -3.507  -5.503
  100   HD21  LEU  11          HD21      LEU  11  -1.847  -2.554  -3.599
  101   HD22  LEU  11          HD22      LEU  11  -1.425  -3.162  -1.995
  102   HD23  LEU  11          HD23      LEU  11  -1.686  -4.290  -3.327
  103    H    TRP  12           HN       TRP  12   0.180  -3.239  -1.165
  104    HA   TRP  12           HA       TRP  12   1.245  -0.772  -1.249
  105    HB2  TRP  12           HB2      TRP  12  -0.906  -0.515  -0.884
  106    HB3  TRP  12           HB1      TRP  12  -1.050  -2.087  -0.137
  107    HD1  TRP  12           HD1      TRP  12  -1.582   1.305   0.514
  108    HE1  TRP  12           HE1      TRP  12  -1.782   1.825   3.048
  109    HE3  TRP  12           HE3      TRP  12   0.422  -2.955   2.273
  110    HZ2  TRP  12           HZ2      TRP  12  -1.158   0.491   5.483
  111    HZ3  TRP  12           HZ3      TRP  12   0.586  -3.332   4.688
  112    HH2  TRP  12           HH2      TRP  12  -0.172  -1.619   6.276
  113    H    ALA  13           HN       ALA  13   2.181  -3.272   0.861
  114    HA   ALA  13           HA       ALA  13   3.001  -1.551   3.029
  115    HB1  ALA  13           HB1      ALA  13   2.988  -4.474   2.530
  116    HB2  ALA  13           HB2      ALA  13   2.420  -3.562   3.929
  117    HB3  ALA  13           HB3      ALA  13   4.147  -3.839   3.699
  118    H    LEU  14           HN       LEU  14   4.472  -3.201   0.294
  119    HA   LEU  14           HA       LEU  14   7.137  -2.394   1.142
  120    HB2  LEU  14           HB2      LEU  14   6.074  -4.047  -1.123
  121    HB3  LEU  14           HB1      LEU  14   7.739  -3.498  -1.111
  122    HG   LEU  14           HG       LEU  14   6.617  -5.020   1.219
  123   HD11  LEU  14          HD11      LEU  14   8.138  -6.521  -0.808
  124   HD12  LEU  14          HD12      LEU  14   6.481  -6.101  -1.239
  125   HD13  LEU  14          HD13      LEU  14   6.802  -7.033   0.224
  126   HD21  LEU  14          HD21      LEU  14   8.969  -5.647   1.506
  127   HD22  LEU  14          HD22      LEU  14   8.752  -3.897   1.522
  128   HD23  LEU  14          HD23      LEU  14   9.392  -4.693   0.084
  129    H    SER  15           HN       SER  15   4.899  -1.685  -1.529
  130    HA   SER  15           HA       SER  15   6.724   0.268  -2.644
  131    HB2  SER  15           HB2      SER  15   5.020  -1.345  -3.871
  132    HB3  SER  15           HB1      SER  15   3.916   0.007  -3.617
  133    HG   SER  15           HG       SER  15   5.711   1.303  -4.574
  134    H    LEU  16           HN       LEU  16   3.511   0.332  -1.092
  135    HA   LEU  16           HA       LEU  16   3.247   3.156  -1.310
  136    HB2  LEU  16           HB2      LEU  16   1.569   1.077  -0.647
  137    HB3  LEU  16           HB1      LEU  16   1.747   1.936   0.871
  138    HG   LEU  16           HG       LEU  16   1.241   3.762  -1.329
  139   HD11  LEU  16          HD11      LEU  16  -0.172   2.428  -2.469
  140   HD12  LEU  16          HD12      LEU  16  -1.293   2.881  -1.186
  141   HD13  LEU  16          HD13      LEU  16  -0.430   1.347  -1.101
  142   HD21  LEU  16          HD21      LEU  16   1.027   4.426   0.970
  143   HD22  LEU  16          HD22      LEU  16  -0.145   3.144   1.276
  144   HD23  LEU  16          HD23      LEU  16  -0.564   4.487   0.212
  145    H    ALA  17           HN       ALA  17   5.299   1.370   0.586
  146    HA   ALA  17           HA       ALA  17   5.186   3.249   2.845
  147    HB1  ALA  17           HB1      ALA  17   5.462   0.767   3.320
  148    HB2  ALA  17           HB2      ALA  17   6.615   1.845   4.097
  149    HB3  ALA  17           HB3      ALA  17   7.108   0.920   2.684
  150    H    HIS  18           HN       HIS  18   7.775   1.889   0.807
  151    HA   HIS  18           HA       HIS  18   9.693   3.818   1.424
  152    HB2  HIS  18           HB2      HIS  18  10.995   2.861  -0.244
  153    HB3  HIS  18           HB1      HIS  18   9.881   1.552   0.135
  154    HD1  HIS  18           HD1      HIS  18   8.346   0.754  -1.702
  155    HD2  HIS  18           HD2      HIS  18  10.482   4.162  -2.739
  156    HE1  HIS  18           HE1      HIS  18   7.957   1.067  -4.168
  157    HE2  HIS  18           HE2      HIS  18   9.150   3.210  -4.741
  158    H    ALA  19           HN       ALA  19   7.043   3.886  -0.846
  159    HA   ALA  19           HA       ALA  19   7.980   6.191  -2.278
  160    HB1  ALA  19           HB1      ALA  19   6.560   4.562  -3.384
  161    HB2  ALA  19           HB2      ALA  19   5.776   6.142  -3.359
  162    HB3  ALA  19           HB3      ALA  19   5.263   4.885  -2.234
  163    H    GLN  20           HN       GLN  20   5.981   5.620   0.522
  164    HA   GLN  20           HA       GLN  20   4.718   8.161   0.569
  165    HB2  GLN  20           HB2      GLN  20   4.964   5.855   2.389
  166    HB3  GLN  20           HB1      GLN  20   4.694   7.404   3.177
  167    HG2  GLN  20           HG2      GLN  20   2.979   6.608   0.875
  168    HG3  GLN  20           HG1      GLN  20   2.682   5.913   2.469
  169   HE21  GLN  20          HE21      GLN  20   2.879   8.908   0.652
  170   HE22  GLN  20          HE22      GLN  20   1.883   9.838   1.713
  171    H    LEU  21           HN       LEU  21   7.885   7.129   1.355
  172    HA   LEU  21           HA       LEU  21   8.413   9.355   3.138
  173    HB2  LEU  21           HB2      LEU  21  10.464   7.496   1.964
  174    HB3  LEU  21           HB1      LEU  21  10.568   8.429   3.444
  175    HG   LEU  21           HG       LEU  21   8.796   6.029   2.983
  176   HD11  LEU  21          HD11      LEU  21  10.319   4.756   4.067
  177   HD12  LEU  21          HD12      LEU  21  10.881   6.090   5.076
  178   HD13  LEU  21          HD13      LEU  21  11.433   5.953   3.406
  179   HD21  LEU  21          HD21      LEU  21   9.240   7.347   5.628
  180   HD22  LEU  21          HD22      LEU  21   7.927   6.292   5.107
  181   HD23  LEU  21          HD23      LEU  21   8.001   7.957   4.531
  182    H    SER  22           HN       SER  22   8.697   8.564  -0.213
  183    HA   SER  22           HA       SER  22  10.540  10.744  -0.763
  184    HB2  SER  22           HB2      SER  22  10.547   8.471  -1.960
  185    HB3  SER  22           HB1      SER  22   9.125   9.057  -2.823
  186    HG   SER  22           HG       SER  22  11.625  10.398  -2.736
  187    H    SER  23           HN       SER  23   7.133  10.096  -0.805
  188    HA   SER  23           HA       SER  23   6.678  12.763  -1.977
  189    HB2  SER  23           HB2      SER  23   4.543  10.697  -2.192
  190    HB3  SER  23           HB1      SER  23   4.962  12.003  -3.300
  191    HG   SER  23           HG       SER  23   6.032  10.574  -4.385
  192    H    LYS  24           HN       LYS  24   7.075  12.573   0.693
  193    HA   LYS  24           HA       LYS  24   4.771  12.071   2.236
  194    HB2  LYS  24           HB2      LYS  24   7.370  13.442   2.661
  195    HB3  LYS  24           HB1      LYS  24   6.070  13.847   3.774
  196    HG2  LYS  24           HG2      LYS  24   5.825  11.255   3.974
  197    HG3  LYS  24           HG1      LYS  24   7.485  11.257   3.373
  198    HD2  LYS  24           HD2      LYS  24   6.764  13.071   5.626
  199    HD3  LYS  24           HD1      LYS  24   6.979  11.350   5.952
  200    HE2  LYS  24           HE2      LYS  24   9.143  11.897   6.198
  201    HE3  LYS  24           HE1      LYS  24   9.167  11.872   4.435
  202    HZ1  LYS  24           HZ1      LYS  24   8.488  14.323   4.655
  203    HZ2  LYS  24           HZ2      LYS  24  10.099  13.906   4.957
  204    HZ3  LYS  24           HZ3      LYS  24   9.045  14.195   6.247
  205    H    LYS  25           HN       LYS  25   6.119  15.095   0.943
  206    HA   LYS  25           HA       LYS  25   3.830  16.616   1.836
  207    HB2  LYS  25           HB2      LYS  25   6.283  17.424   1.645
  208    HB3  LYS  25           HB1      LYS  25   5.931  17.617  -0.067
  209    HG2  LYS  25           HG2      LYS  25   5.457  19.714   0.678
  210    HG3  LYS  25           HG1      LYS  25   3.867  18.967   0.849
  211    HD2  LYS  25           HD2      LYS  25   4.000  19.826   2.936
  212    HD3  LYS  25           HD1      LYS  25   4.926  18.356   3.246
  213    HE2  LYS  25           HE2      LYS  25   6.181  20.158   4.145
  214    HE3  LYS  25           HE1      LYS  25   6.993  19.662   2.661
  215    HZ1  LYS  25           HZ1      LYS  25   5.078  21.660   2.089
  216    HZ2  LYS  25           HZ2      LYS  25   6.752  21.695   1.851
  217    HZ3  LYS  25           HZ3      LYS  25   6.099  22.197   3.327
  Start of MODEL   10
    1    H1   LYS   1           HT1      LYS   1 -11.649  -4.560  -1.619
    2    H2   LYS   1           HT2      LYS   1 -11.622  -3.604  -3.044
    3    H3   LYS   1           HT3      LYS   1 -10.736  -5.073  -2.976
    4    HA   LYS   1           HA       LYS   1 -13.640  -4.674  -3.073
    5    HB2  LYS   1           HB2      LYS   1 -11.504  -5.428  -4.893
    6    HB3  LYS   1           HB1      LYS   1 -12.756  -6.659  -4.832
    7    HG2  LYS   1           HG2      LYS   1 -14.146  -4.260  -5.012
    8    HG3  LYS   1           HG1      LYS   1 -12.773  -4.068  -6.103
    9    HD2  LYS   1           HD2      LYS   1 -13.829  -6.681  -6.472
   10    HD3  LYS   1           HD1      LYS   1 -15.174  -5.541  -6.506
   11    HE2  LYS   1           HE2      LYS   1 -14.284  -5.861  -8.739
   12    HE3  LYS   1           HE1      LYS   1 -13.987  -4.211  -8.193
   13    HZ1  LYS   1           HZ1      LYS   1 -12.097  -6.358  -8.732
   14    HZ2  LYS   1           HZ2      LYS   1 -11.741  -5.363  -7.412
   15    HZ3  LYS   1           HZ3      LYS   1 -11.931  -4.688  -8.951
   16    H    LYS   2           HN       LYS   2 -11.522  -7.501  -3.388
   17    HA   LYS   2           HA       LYS   2 -12.637  -8.711  -0.992
   18    HB2  LYS   2           HB2      LYS   2 -13.753  -9.255  -3.592
   19    HB3  LYS   2           HB1      LYS   2 -12.893 -10.702  -3.065
   20    HG2  LYS   2           HG2      LYS   2 -15.010  -9.258  -1.475
   21    HG3  LYS   2           HG1      LYS   2 -15.254 -10.728  -2.420
   22    HD2  LYS   2           HD2      LYS   2 -13.298 -11.653  -0.962
   23    HD3  LYS   2           HD1      LYS   2 -13.740 -10.337   0.129
   24    HE2  LYS   2           HE2      LYS   2 -15.851 -12.171  -0.924
   25    HE3  LYS   2           HE1      LYS   2 -14.824 -12.695   0.410
   26    HZ1  LYS   2           HZ1      LYS   2 -16.915 -11.633   1.129
   27    HZ2  LYS   2           HZ2      LYS   2 -16.414 -10.187   0.410
   28    HZ3  LYS   2           HZ3      LYS   2 -15.540 -10.833   1.706
   29    H    SER   3           HN       SER   3 -10.936  -9.693  -3.983
   30    HA   SER   3           HA       SER   3  -9.030 -11.216  -2.391
   31    HB2  SER   3           HB2      SER   3  -9.825 -12.362  -4.331
   32    HB3  SER   3           HB1      SER   3  -9.499 -10.972  -5.366
   33    HG   SER   3           HG       SER   3  -7.732 -12.850  -4.286
   34    H    HIS   4           HN       HIS   4  -8.879  -8.730  -4.945
   35    HA   HIS   4           HA       HIS   4  -6.168  -8.214  -4.875
   36    HB2  HIS   4           HB2      HIS   4  -8.428  -7.067  -6.086
   37    HB3  HIS   4           HB1      HIS   4  -7.632  -5.747  -5.234
   38    HD1  HIS   4           HD1      HIS   4  -6.809  -8.445  -7.772
   39    HD2  HIS   4           HD2      HIS   4  -5.483  -4.706  -6.539
   40    HE1  HIS   4           HE1      HIS   4  -5.011  -7.798  -9.406
   41    HE2  HIS   4           HE2      HIS   4  -4.158  -5.575  -8.584
   42    H    THR   5           HN       THR   5  -8.701  -6.962  -2.758
   43    HA   THR   5           HA       THR   5  -7.087  -5.039  -1.451
   44    HB   THR   5           HB       THR   5  -9.511  -4.901  -1.362
   45    HG1  THR   5           HG1      THR   5  -8.538  -5.459   1.238
   46   HG21  THR   5          HG21      THR   5  -9.341  -7.653  -0.529
   47   HG22  THR   5          HG22      THR   5 -10.728  -6.730  -1.106
   48   HG23  THR   5          HG23      THR   5 -10.291  -6.691   0.602
   49    H    ALA   6           HN       ALA   6  -7.541  -8.463  -1.027
   50    HA   ALA   6           HA       ALA   6  -6.603  -8.749   1.596
   51    HB1  ALA   6           HB1      ALA   6  -7.718 -10.555   0.406
   52    HB2  ALA   6           HB2      ALA   6  -6.136 -11.079   0.984
   53    HB3  ALA   6           HB3      ALA   6  -6.363 -10.671  -0.717
   54    H    SER   7           HN       SER   7  -4.749  -9.656  -1.298
   55    HA   SER   7           HA       SER   7  -2.222  -9.536   0.010
   56    HB2  SER   7           HB2      SER   7  -2.730 -10.920  -2.011
   57    HB3  SER   7           HB1      SER   7  -2.783  -9.438  -2.965
   58    HG   SER   7           HG       SER   7  -0.609  -9.070  -2.376
   59    H    TYR   8           HN       TYR   8  -4.159  -6.925  -0.713
   60    HA   TYR   8           HA       TYR   8  -2.074  -5.313  -1.805
   61    HB2  TYR   8           HB2      TYR   8  -3.635  -3.815  -2.196
   62    HB3  TYR   8           HB1      TYR   8  -4.831  -4.871  -1.434
   63    HD1  TYR   8           HD1      TYR   8  -3.835  -4.558   1.472
   64    HD2  TYR   8           HD2      TYR   8  -4.451  -1.745  -1.687
   65    HE1  TYR   8           HE1      TYR   8  -4.106  -2.721   3.111
   66    HE2  TYR   8           HE2      TYR   8  -4.744   0.054  -0.046
   67    HH   TYR   8           HH       TYR   8  -5.440  -0.349   3.024
   68    H    LEU   9           HN       LEU   9  -3.176  -6.165   1.408
   69    HA   LEU   9           HA       LEU   9  -1.598  -4.127   2.595
   70    HB2  LEU   9           HB2      LEU   9  -3.290  -6.281   3.577
   71    HB3  LEU   9           HB1      LEU   9  -1.857  -6.039   4.557
   72    HG   LEU   9           HG       LEU   9  -2.966  -3.472   4.022
   73   HD11  LEU   9          HD11      LEU   9  -5.184  -3.593   4.695
   74   HD12  LEU   9          HD12      LEU   9  -4.997  -5.202   5.393
   75   HD13  LEU   9          HD13      LEU   9  -5.030  -5.000   3.641
   76   HD21  LEU   9          HD21      LEU   9  -3.132  -4.985   6.619
   77   HD22  LEU   9          HD22      LEU   9  -2.909  -3.255   6.358
   78   HD23  LEU   9          HD23      LEU   9  -1.601  -4.378   5.988
   79    H    ARG  10           HN       ARG  10  -1.018  -6.755   0.871
   80    HA   ARG  10           HA       ARG  10   1.416  -7.644   2.083
   81    HB2  ARG  10           HB2      ARG  10  -0.079  -8.600  -0.341
   82    HB3  ARG  10           HB1      ARG  10   1.341  -9.367   0.340
   83    HG2  ARG  10           HG2      ARG  10  -0.790 -10.479   0.946
   84    HG3  ARG  10           HG1      ARG  10   0.168  -9.966   2.328
   85    HD2  ARG  10           HD2      ARG  10  -2.011  -8.127   1.337
   86    HD3  ARG  10           HD1      ARG  10  -2.444  -9.572   2.246
   87    HE   ARG  10           HE       ARG  10  -1.372  -7.193   3.276
   88   HH11  ARG  10          HH11      ARG  10  -1.220 -10.659   3.665
   89   HH12  ARG  10          HH12      ARG  10  -0.742 -10.587   5.327
   90   HH21  ARG  10          HH21      ARG  10  -0.722  -7.100   5.486
   91   HH22  ARG  10          HH22      ARG  10  -0.464  -8.571   6.358
   92    H    LEU  11           HN       LEU  11   0.161  -5.882  -0.637
   93    HA   LEU  11           HA       LEU  11   2.782  -5.434  -1.879
   94    HB2  LEU  11           HB2      LEU  11   1.586  -5.245  -3.778
   95    HB3  LEU  11           HB1      LEU  11   0.191  -5.751  -2.857
   96    HG   LEU  11           HG       LEU  11   0.543  -2.840  -2.666
   97   HD11  LEU  11          HD11      LEU  11   1.545  -2.928  -4.820
   98   HD12  LEU  11          HD12      LEU  11  -0.139  -2.454  -5.043
   99   HD13  LEU  11          HD13      LEU  11   0.367  -4.107  -5.395
  100   HD21  LEU  11          HD21      LEU  11  -1.805  -3.091  -3.717
  101   HD22  LEU  11          HD22      LEU  11  -1.526  -3.672  -2.073
  102   HD23  LEU  11          HD23      LEU  11  -1.574  -4.814  -3.418
  103    H    TRP  12           HN       TRP  12  -0.016  -3.596  -1.088
  104    HA   TRP  12           HA       TRP  12   0.879  -1.078  -1.151
  105    HB2  TRP  12           HB2      TRP  12  -1.300  -0.949  -0.953
  106    HB3  TRP  12           HB1      TRP  12  -1.401  -2.517  -0.190
  107    HD1  TRP  12           HD1      TRP  12  -2.163   0.860   0.337
  108    HE1  TRP  12           HE1      TRP  12  -2.656   1.397   2.828
  109    HE3  TRP  12           HE3      TRP  12  -0.151  -3.275   2.367
  110    HZ2  TRP  12           HZ2      TRP  12  -2.231   0.122   5.334
  111    HZ3  TRP  12           HZ3      TRP  12  -0.224  -3.614   4.793
  112    HH2  TRP  12           HH2      TRP  12  -1.230  -1.924   6.263
  113    H    ALA  13           HN       ALA  13   1.595  -3.461   1.231
  114    HA   ALA  13           HA       ALA  13   2.175  -1.724   3.407
  115    HB1  ALA  13           HB1      ALA  13   3.612  -3.844   4.061
  116    HB2  ALA  13           HB2      ALA  13   2.644  -4.589   2.789
  117    HB3  ALA  13           HB3      ALA  13   1.853  -3.847   4.180
  118    H    LEU  14           HN       LEU  14   4.327  -3.566   1.242
  119    HA   LEU  14           HA       LEU  14   6.686  -2.265   2.068
  120    HB2  LEU  14           HB2      LEU  14   6.156  -3.535  -0.618
  121    HB3  LEU  14           HB1      LEU  14   7.722  -3.250   0.116
  122    HG   LEU  14           HG       LEU  14   5.691  -5.045   1.413
  123   HD11  LEU  14          HD11      LEU  14   7.871  -6.270  -0.146
  124   HD12  LEU  14          HD12      LEU  14   6.549  -5.568  -1.079
  125   HD13  LEU  14          HD13      LEU  14   6.216  -6.816   0.122
  126   HD21  LEU  14          HD21      LEU  14   7.824  -4.077   2.542
  127   HD22  LEU  14          HD22      LEU  14   8.665  -5.281   1.565
  128   HD23  LEU  14          HD23      LEU  14   7.438  -5.788   2.726
  129    H    SER  15           HN       SER  15   4.124  -1.226   0.056
  130    HA   SER  15           HA       SER  15   5.752   0.790  -1.283
  131    HB2  SER  15           HB2      SER  15   4.260  -0.167  -2.810
  132    HB3  SER  15           HB1      SER  15   2.941  -0.207  -1.641
  133    HG   SER  15           HG       SER  15   2.520   1.472  -3.009
  134    H    LEU  16           HN       LEU  16   3.681   0.473   1.437
  135    HA   LEU  16           HA       LEU  16   2.682   3.118   1.554
  136    HB2  LEU  16           HB2      LEU  16   2.154   0.869   2.932
  137    HB3  LEU  16           HB1      LEU  16   3.182   1.683   4.093
  138    HG   LEU  16           HG       LEU  16   1.632   3.699   3.811
  139   HD11  LEU  16          HD11      LEU  16  -0.727   2.916   3.194
  140   HD12  LEU  16          HD12      LEU  16   0.076   1.572   2.383
  141   HD13  LEU  16          HD13      LEU  16   0.409   3.230   1.883
  142   HD21  LEU  16          HD21      LEU  16   0.154   1.395   4.987
  143   HD22  LEU  16          HD22      LEU  16   0.399   3.022   5.622
  144   HD23  LEU  16          HD23      LEU  16   1.716   1.850   5.668
  145    H    ALA  17           HN       ALA  17   5.732   1.714   2.363
  146    HA   ALA  17           HA       ALA  17   6.523   4.090   3.911
  147    HB1  ALA  17           HB1      ALA  17   8.330   1.721   3.407
  148    HB2  ALA  17           HB2      ALA  17   7.183   1.793   4.755
  149    HB3  ALA  17           HB3      ALA  17   8.475   2.980   4.630
  150    H    HIS  18           HN       HIS  18   6.941   2.700   0.780
  151    HA   HIS  18           HA       HIS  18   9.190   4.439   0.135
  152    HB2  HIS  18           HB2      HIS  18   9.624   3.037  -1.589
  153    HB3  HIS  18           HB1      HIS  18   8.595   1.933  -0.688
  154    HD1  HIS  18           HD1      HIS  18   5.830   3.006  -1.484
  155    HD2  HIS  18           HD2      HIS  18   8.962   2.450  -4.155
  156    HE1  HIS  18           HE1      HIS  18   4.752   2.771  -3.743
  157    HE2  HIS  18           HE2      HIS  18   6.662   2.352  -5.332
  158    H    ALA  19           HN       ALA  19   5.778   4.512  -0.046
  159    HA   ALA  19           HA       ALA  19   5.710   6.389  -2.260
  160    HB1  ALA  19           HB1      ALA  19   3.917   4.875  -2.297
  161    HB2  ALA  19           HB2      ALA  19   3.222   6.393  -1.728
  162    HB3  ALA  19           HB3      ALA  19   3.581   5.103  -0.581
  163    H    GLN  20           HN       GLN  20   5.801   6.444   1.181
  164    HA   GLN  20           HA       GLN  20   4.674   9.072   1.458
  165    HB2  GLN  20           HB2      GLN  20   5.113   8.849   3.778
  166    HB3  GLN  20           HB1      GLN  20   4.606   7.263   3.212
  167    HG2  GLN  20           HG2      GLN  20   7.080   6.717   3.015
  168    HG3  GLN  20           HG1      GLN  20   7.362   8.184   3.951
  169   HE21  GLN  20          HE21      GLN  20   4.908   5.635   4.155
  170   HE22  GLN  20          HE22      GLN  20   5.216   5.231   5.807
  171    H    LEU  21           HN       LEU  21   7.813   7.755   0.859
  172    HA   LEU  21           HA       LEU  21   9.153  10.233   1.593
  173    HB2  LEU  21           HB2      LEU  21  10.402   7.800   0.338
  174    HB3  LEU  21           HB1      LEU  21  11.203   9.079   1.231
  175    HG   LEU  21           HG       LEU  21   9.145   7.519   2.692
  176   HD11  LEU  21          HD11      LEU  21  10.589   5.670   3.129
  177   HD12  LEU  21          HD12      LEU  21  11.892   6.393   2.186
  178   HD13  LEU  21          HD13      LEU  21  10.428   5.828   1.380
  179   HD21  LEU  21          HD21      LEU  21  11.846   8.032   3.759
  180   HD22  LEU  21          HD22      LEU  21  10.266   8.231   4.516
  181   HD23  LEU  21          HD23      LEU  21  10.869   9.456   3.400
  182    H    SER  22           HN       SER  22   7.909   8.634  -1.198
  183    HA   SER  22           HA       SER  22   9.433  10.340  -3.015
  184    HB2  SER  22           HB2      SER  22   8.438   8.979  -4.805
  185    HB3  SER  22           HB1      SER  22   9.219   7.963  -3.594
  186    HG   SER  22           HG       SER  22   7.317   7.000  -3.767
  187    H    SER  23           HN       SER  23   7.152  11.203  -1.160
  188    HA   SER  23           HA       SER  23   5.601  12.580  -3.248
  189    HB2  SER  23           HB2      SER  23   4.631  10.841  -1.130
  190    HB3  SER  23           HB1      SER  23   3.908  12.447  -1.035
  191    HG   SER  23           HG       SER  23   3.166  10.541  -2.609
  192    H    LYS  24           HN       LYS  24   7.975  13.308  -1.550
  193    HA   LYS  24           HA       LYS  24   8.780  15.149  -0.491
  194    HB2  LYS  24           HB2      LYS  24   6.429  16.094  -1.958
  195    HB3  LYS  24           HB1      LYS  24   6.829  17.094  -0.568
  196    HG2  LYS  24           HG2      LYS  24   7.879  17.894  -2.630
  197    HG3  LYS  24           HG1      LYS  24   9.068  17.435  -1.410
  198    HD2  LYS  24           HD2      LYS  24  10.031  16.208  -3.010
  199    HD3  LYS  24           HD1      LYS  24   8.669  15.100  -2.830
  200    HE2  LYS  24           HE2      LYS  24   8.774  15.565  -5.129
  201    HE3  LYS  24           HE1      LYS  24   7.458  16.567  -4.520
  202    HZ1  LYS  24           HZ1      LYS  24   8.571  18.448  -4.970
  203    HZ2  LYS  24           HZ2      LYS  24   9.443  17.481  -6.049
  204    HZ3  LYS  24           HZ3      LYS  24  10.074  17.816  -4.516
  205    H    LYS  25           HN       LYS  25   9.021  15.260   1.632
  206    HA   LYS  25           HA       LYS  25   6.911  14.502   3.417
  207    HB2  LYS  25           HB2      LYS  25   9.663  14.463   3.533
  208    HB3  LYS  25           HB1      LYS  25   9.254  15.774   4.632
  209    HG2  LYS  25           HG2      LYS  25   7.485  13.746   5.301
  210    HG3  LYS  25           HG1      LYS  25   9.009  12.916   4.985
  211    HD2  LYS  25           HD2      LYS  25   8.843  15.351   6.741
  212    HD3  LYS  25           HD1      LYS  25   8.597  13.720   7.369
  213    HE2  LYS  25           HE2      LYS  25  10.784  13.188   7.210
  214    HE3  LYS  25           HE1      LYS  25  11.000  14.089   5.710
  215    HZ1  LYS  25           HZ1      LYS  25  11.842  14.842   8.211
  216    HZ2  LYS  25           HZ2      LYS  25  10.505  15.832   7.907
  217    HZ3  LYS  25           HZ3      LYS  25  11.806  15.813   6.826