*HEADER    CELL ADHESION, STRUCTURAL PROTEIN       23-MAY-06   2H41              
*TITLE     SOLUTION STRUCTURE OF THE SECOND TYPE III DOMAIN OF HUMAN FIBRONECTIN:
*TITLE    2 MINIMIZED AVERAGE STRUCTURE                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FIBRONECTIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: FIBRONECTIN TYPE-III 2(2F3);                               
*COMPND   5 SYNONYM: FN, COLD-INSOLUBLE GLOBULIN, CIG;                           
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: FN1;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)-RP;                              
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PGEX-6P-2                                 
*KEYWDS    BETA SANDWICH, CELL ADHESION, STRUCTURAL PROTEIN                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    I.VAKONAKIS, I.D.CAMPBELL                                             
*REVDAT   1   29-MAR-17 2H41    0                                                

! G1

! P2

! L3

! G4

! S5

! H6

! L7

! V8

! A9

! T10
assign (resid  10 and name   HA ) (resid  11 and name  HB# )  4.0  2.2  1.0 ! A.1494 at 2.64e+05

! S11

! E12
assign (resid  12 and name  HB1 ) (resid  14 and name HG2# )  4.0  2.2  1.5 ! A.1658 at 3.91e+05
assign (resid  12 and name  HG# ) (resid  17 and name HD1# )  4.0  2.2  1.5 ! A.1480 at -4.29e+05

! S13
assign (resid  13 and name  HB# ) (resid  14 and name HG2# )  4.0  2.2  1.5 ! A.1657 at 9.36e+05

! V14
assign (resid  14 and name HG1# ) (resid  14 and name   HA )  3.0  1.2  0.8 ! A.2998 at 1.94e+06

! T15
assign (resid  15 and name   HB ) (resid  16 and name  HG# )  4.0  2.2  1.0 ! A.1380 at -3.65e+05
assign (resid  15 and name HG2# ) (resid  16 and name   HA )  4.0  2.2  2.5 ! A.1446 at 2.05e+05
assign (resid  15 and name HG2# ) (resid  17 and name HG11 )  3.0  1.2  0.8 ! A.2808 at -2.89e+06
assign (resid  15 and name HG2# ) (resid  17 and name HD1# )  4.0  2.2  2.0 ! A.1483 at 2.76e+05
assign (resid  15 and name HG2# ) (resid  21 and name  HB1 )  4.0  2.2  2.5 ! A.2965 at 1.77e+05
assign (resid  15 and name   HB ) (resid  23 and name   HB )  4.0  2.2  2.0 ! A.1373 at -1.77e+05
assign (resid  15 and name   HB ) (resid  23 and name HG1# )  4.0  2.2  2.5 ! A.1224 at 2.39e+05
assign (resid  15 and name HG2# ) (resid  23 and name   HB )  4.0  2.2  1.5 ! A.1548 at -7.30e+05

! E16
assign (resid  16 and name  HB2 ) (resid  23 and name HG2# )  4.0  2.2  1.5 ! A.1560 at 7.89e+05

! I17
assign (resid  17 and name   HA ) (resid  17 and name HG12 )  4.0  2.2  1.0 ! A.1489 at 5.48e+05
assign (resid  17 and name   HA ) (resid  17 and name HG11 )  4.0  2.2  1.0 ! A.1484 at 5.94e+05
assign (resid  17 and name HG2# ) (resid  17 and name   HA )  3.0  1.2  0.8 ! A.78   at 2.81e+06
assign (resid  17 and name HD1# ) (resid  17 and name   HA )  4.0  2.2  1.5 ! A.79   at 7.44e+05
assign (resid  17 and name HD1# ) (resid  17 and name   HB )  3.0  1.2  0.8 ! A.1454 at -1.84e+06
assign (resid  17 and name   HB ) (resid  18 and name HG2# )  4.0  2.2  2.5 ! A.1134 at -2.11e+05
assign (resid  17 and name HG2# ) (resid  18 and name   HA )  4.0  2.2  1.5 ! A.1492 at 3.75e+05
assign (resid  17 and name HG2# ) (resid  19 and name   HA )  4.0  2.2  2.5 ! A.89   at -2.17e+05
assign (resid  17 and name HG2# ) (resid  19 and name  HB# )  4.0  2.2  2.0 ! A.100  at 3.98e+05
assign (resid  17 and name HG2# ) (resid  21 and name  HB1 )  4.0  2.2  1.5 ! A.1529 at 8.65e+05
assign (resid  17 and name   HA ) (resid  22 and name   HA )  4.0  2.2  1.0 ! A.1453 at 7.48e+05

! T18
assign (resid  18 and name HG2# ) (resid  18 and name   HA )  3.0  1.2  0.8 ! A.80   at 4.31e+06
assign (resid  18 and name   HB ) (resid  19 and name  HB# )  4.0  2.2  1.5 ! A.103  at 2.54e+05
assign (resid  18 and name HG2# ) (resid  21 and name  HB1 )  4.0  2.2  1.5 ! A.1521 at 2.97e+05

! A19
assign (resid  19 and name   HA ) (resid  20 and name  HB1 )  4.0  2.2  1.0 ! A.88   at -2.83e+05
assign (resid  19 and name  HB# ) (resid  20 and name  HB2 )  4.0  2.2  2.5 ! A.1502 at 1.52e+05
assign (resid  19 and name  HB# ) (resid  20 and name  HB1 )  4.0  2.2  1.5 ! A.1517 at 2.79e+05
assign (resid  19 and name  HB# ) (resid  20 and name   HA )  4.0  2.2  1.5 ! A.96   at 3.98e+05 
assign (resid  19 and name   HA ) (resid  20 and name   HA )  4.0  2.2  1.0 ! A.109  at -3.29e+05
assign (resid  19 and name  HB# ) (resid  64 and name   HA )  4.0  2.2  1.5 ! A.541  at 3.63e+05
assign (resid  19 and name  HB# ) (resid  65 and name   HA )  3.0  1.2  0.8 ! A.95   at 3.14e+06
assign (resid  19 and name  HB# ) (resid  65 and name  HB1 )  4.0  2.2  1.5 ! A.1083 at -3.16e+05
assign (resid  19 and name  HB# ) (resid  65 and name  HB2 )  4.0  2.2  2.5 ! A.2443 at -2.48e+05
assign (resid  19 and name   HA ) (resid  65 and name   HA )  4.0  2.2  1.0 ! A.2436 at -3.09e+05
assign (resid  19 and name   HA ) (resid  68 and name  HD1 )  4.0  2.2  1.0 ! A.83   at 5.80e+05
assign (resid  19 and name   HA ) (resid  68 and name  HG# )  4.0  2.2  1.0 ! A.1496 at -2.60e+05
assign (resid  19 and name   HA ) (resid  68 and name  HD2 )  4.0  2.2  2.0 ! A.85   at 4.71e+05
assign (resid  19 and name  HB# ) (resid  68 and name  HG# )  4.0  2.2  2.5 ! A.99   at 1.76e+05
assign (resid  19 and name  HB# ) (resid  68 and name  HD2 )  4.0  2.2  2.5 ! A.92   at -1.93e+05
assign (resid  19 and name  HB# ) (resid  68 and name  HD1 )  4.0  2.2  2.5 ! A.93   at -2.08e+05

! S20
assign (resid  20 and name  HB2 ) (resid  22 and name  HD# )  4.0  2.2  2.0 ! A.2871 at -1.58e+05
assign (resid  20 and name  HB1 ) (resid  66 and name HD1# )  4.0  2.2  1.5 ! A.866  at 5.13e+05
assign (resid  20 and name  HB2 ) (resid  66 and name HD1# )  4.0  2.2  1.5 ! A.1507 at 2.68e+05
assign (resid  20 and name  HB2 ) (resid  66 and name  HB2 )  4.0  2.2  1.0 ! A.1508 at -8.77e+05
assign (resid  20 and name  HB1 ) (resid  66 and name  HB2 )  4.0  2.2  1.0 ! A.1515 at -6.58e+05
assign (resid  20 and name   HA ) (resid  66 and name  HB2 )  4.0  2.2  1.0 ! A.2480 at -2.74e+05
assign (resid  20 and name  HB1 ) (resid  66 and name HD2# )  4.0  2.2  2.5 ! A.950  at 2.49e+05
assign (resid  20 and name  HB1 ) (resid  67 and name   HA )  4.0  2.2  2.0 ! A.1512 at -2.33e+05
assign (resid  20 and name  HB1 ) (resid  68 and name  HB1 )  4.0  2.2  1.0 ! A.2541 at 3.03e+05
assign (resid  20 and name  HB2 ) (resid  95 and name   HB )  3.0  1.2  0.3 ! A.1350 at 2.18e+06
assign (resid  20 and name  HB2 ) (resid  95 and name HG2# )  3.0  1.2  0.8 ! A.1159 at 1.62e+06
assign (resid  20 and name   HA ) (resid  95 and name HG2# )  4.0  2.2  1.5 ! A.111  at 3.05e+05
assign (resid  20 and name  HB2 ) (resid  95 and name   HA )  4.0  2.2  1.0 ! A.823  at 5.34e+05
assign (resid  20 and name  HB1 ) (resid  95 and name HG2# )  4.0  2.2  1.5 ! A.1510 at 9.24e+05
assign (resid  20 and name  HB1 ) (resid  95 and name   HA )  4.0  2.2  1.0 ! A.1513 at 2.56e+05

! S21
assign (resid  21 and name  HB2 ) (resid  23 and name HG2# )  4.0  2.2  1.5 ! A.1527 at 3.79e+05
assign (resid  21 and name  HB2 ) (resid  63 and name HG2# )  4.0  2.2  2.5 ! A.928  at 1.97e+05
assign (resid  21 and name   HA ) (resid  63 and name   HB )  4.0  2.2  1.0 ! A.169  at -3.17e+05
assign (resid  21 and name   HA ) (resid  63 and name HG2# )  4.0  2.2  2.5 ! A.122  at 2.30e+05
assign (resid  21 and name  HB1 ) (resid  64 and name  HB1 )  4.0  2.2  1.0 ! A.1528 at -2.74e+05
assign (resid  21 and name  HB1 ) (resid  64 and name   HA )  3.0  1.2  0.3 ! A.1523 at 2.52e+06
assign (resid  21 and name  HB2 ) (resid  64 and name  HB1 )  4.0  2.2  1.0 ! A.2863 at -2.84e+05
assign (resid  21 and name  HB2 ) (resid  64 and name   HA )  3.0  1.2  0.3 ! A.1524  at 2.43e+06
assign (resid  21 and name   HA ) (resid  64 and name   HA )  3.0  1.2  0.3 ! A.530  at 1.99e+06
assign (resid  21 and name   HA ) (resid  66 and name HD1# )  3.0  1.2  0.8 ! A.860  at 1.83e+06
assign (resid  21 and name   HA ) (resid  66 and name   HG )  4.0  2.2  1.0 ! A.2460 at 5.38e+05
assign (resid  21 and name   HA ) (resid  66 and name  HB2 )  4.0  2.2  1.0 ! A.2479 at -3.32e+05
assign (resid  21 and name   HA ) (resid  66 and name HD2# )  4.0  2.2  1.5 ! A.949  at 3.64e+05
assign (resid  21 and name   HA ) (resid  95 and name HG2# )  4.0  2.2  1.5 ! A.1520 at 2.96e+05

! F22
assign (resid  22 and name  HB1 ) (resid  22 and name  HD# )  4.0  2.2  1.0 ! A.1176 at 9.15e+05
assign (resid  22 and name  HB2 ) (resid  22 and name  HD# )  3.0  1.2  0.3 ! A.143  at 1.03e+06
assign (resid  22 and name   HA ) (resid  22 and name  HD# )  4.0  2.2  1.0 ! A.142  at -5.63e+05
assign (resid  22 and name   HA ) (resid  23 and name HG2# )  4.0  2.2  1.5 ! A.1553 at 7.45e+05
assign (resid  22 and name   HA ) (resid  23 and name   HA )  4.0  2.2  1.0 ! A.154  at 3.54e+05
assign (resid  22 and name  HD# ) (resid  23 and name   HA )  4.0  2.2  2.0 ! A.1531 at -2.00e+05
assign (resid  22 and name   HA ) (resid  23 and name   HB )  4.0  2.2  2.0 ! A.132  at -2.39e+05
assign (resid  22 and name  HD# ) (resid  24 and name HG2# )  3.0  1.2  0.8 ! A.147  at -1.52e+06
assign (resid  22 and name  HE# ) (resid  24 and name HG2# )  4.0  2.2  1.5 ! A.1599 at -1.65e+06
assign (resid  22 and name  HD# ) (resid  24 and name HG1# )  4.0  2.2  2.5 ! A.1589 at -4.36e+05
assign (resid  22 and name  HB2 ) (resid  24 and name HG2# )  4.0  2.2  1.5 ! A.1409 at -3.67e+05
assign (resid  22 and name  HD# ) (resid  24 and name   HB )  4.0  2.2  2.0 ! A.1573 at 2.26e+05
assign (resid  22 and name  HD# ) (resid  61 and name HG1# )  4.0  2.2  2.5 ! A.2315 at -1.70e+05
assign (resid  22 and name  HD# ) (resid  63 and name   HB )  4.0  2.2  1.0 ! A.2371 at 2.77e+05
assign (resid  22 and name  HE# ) (resid  63 and name HG2# )  4.0  2.2  2.5 ! A.138  at -2.27e+05
assign (resid  22 and name  HE# ) (resid  63 and name HD1# )  4.0  2.2  1.5 ! A.140  at -5.28e+05
assign (resid  22 and name  HB2 ) (resid  63 and name   HB )  4.0  2.2  1.0 ! A.2373 at 3.40e+05
assign (resid  22 and name  HD# ) (resid  66 and name HD1# )  4.0  2.2  1.5 ! A.135  at -6.70e+05
assign (resid  22 and name  HE# ) (resid  66 and name HD1# )  4.0  2.2  1.5 ! A.858  at -9.50e+05
assign (resid  22 and name   HZ ) (resid  66 and name HD1# )  4.0  2.2  1.5 ! A.2457 at -2.78e+05
assign (resid  22 and name  HB2 ) (resid  66 and name HD1# )  4.0  2.2  1.5 ! A.862  at -4.12e+05
assign (resid  22 and name  HB1 ) (resid  66 and name HD1# )  4.0  2.2  1.5 ! A.864  at -4.13e+05
assign (resid  22 and name   HZ ) (resid  72 and name  HB2 )  4.0  2.2  1.0 ! A.1167 at 3.04e+05
assign (resid  22 and name  HD# ) (resid  74 and name   HB )  4.0  2.2  2.0 ! A.1177 at 2.37e+05
assign (resid  22 and name   HZ ) (resid  74 and name HG2# )  4.0  2.2  1.5 ! A.1169 at -1.49e+06
assign (resid  22 and name  HE# ) (resid  74 and name HG2# )  3.0  1.2  0.8 ! A.1170 at -1.04e+06
assign (resid  22 and name  HD# ) (resid  91 and name HG2# )  4.0  2.2  2.5 ! A.1146 at -2.74e+05
assign (resid  22 and name  HE# ) (resid  93 and name  HB# )  4.0  2.2  2.0 ! A.2990 at -2.24e+05
assign (resid  22 and name   HZ ) (resid  93 and name  HB# )  4.0  2.2  2.0 ! A.2988 at -1.99e+05
assign (resid  22 and name  HE# ) (resid  93 and name  HG1 )  4.0  2.2  2.0 ! A.1178 at 2.25e+05
assign (resid  22 and name  HD# ) (resid  95 and name   HB )  4.0  2.2  2.0 ! A.1355 at -1.37e+05
assign (resid  22 and name  HD# ) (resid  95 and name   HA )  4.0  2.2  1.0 ! A.2997 at -3.09e+05
assign (resid  22 and name  HE# ) (resid  95 and name HG2# )  3.0  1.2  0.8 ! A.134  at -1.20e+06
assign (resid  22 and name   HZ ) (resid  95 and name HG2# )  4.0  2.2  1.5 ! A.1166 at -3.84e+05
assign (resid  22 and name  HD# ) (resid  95 and name HG2# )  3.0  1.2  0.8 ! A.1164 at -1.44e+06
assign (resid  22 and name  HB2 ) (resid  95 and name HG2# )  4.0  2.2  1.5 ! A.3003 at -3.19e+05
assign (resid  22 and name   HA ) (resid  95 and name HG2# )  4.0  2.2  1.5 ! A.3001 at 2.69e+05
assign (resid  22 and name  HB1 ) (resid  95 and name HG2# )  4.0  2.2  2.5 ! A.2567 at -2.77e+05

! V23
assign (resid  23 and name   HA ) (resid  23 and name HG2# )  3.0  1.2  0.8 ! A.1555 at 4.72e+06
assign (resid  23 and name   HA ) (resid  23 and name HG1# )  3.0  1.2  0.8 ! A.1216 at 3.43e+06
assign (resid  23 and name HG1# ) (resid  24 and name   HA )  4.0  2.2  1.5 ! A.1235 at 2.80e+05
assign (resid  23 and name   HA ) (resid  24 and name HG1# )  4.0  2.2  1.5 ! A.158  at 4.57e+05
assign (resid  23 and name HG1# ) (resid  25 and name  HB# )  3.0  1.2  0.8 ! A.1608 at 1.21e+06
assign (resid  23 and name HG1# ) (resid  25 and name   HA )  4.0  2.2  1.5 ! A.1219 at 5.86e+05
assign (resid  23 and name HG1# ) (resid  60 and name  HB1 )  4.0  2.2  1.5 ! A.2285 at 1.91e+06 
assign (resid  23 and name HG1# ) (resid  60 and name  HB2 )  3.0  1.2  0.8 ! A.2291 at 2.13e+06
assign (resid  23 and name HG2# ) (resid  60 and name  HB2 )  4.0  2.2  1.5 ! A.1557 at 4.04e+05
assign (resid  23 and name HG1# ) (resid  60 and name   HA )  4.0  2.2  1.5 ! A.1218 at 5.47e+05
assign (resid  23 and name   HA ) (resid  60 and name  HB2 )  4.0  2.2  2.0 ! A.156  at 1.68e+05
assign (resid  23 and name   HA ) (resid  61 and name HG1# )  4.0  2.2  1.5 ! A.157  at 3.89e+05
assign (resid  23 and name   HB ) (resid  62 and name   HA )  4.0  2.2  1.0 ! A.2344 at 3.24e+05
assign (resid  23 and name HG2# ) (resid  62 and name   HA )  3.0  1.2  0.8 ! A.2348 at -3.13e+06
assign (resid  23 and name   HA ) (resid  62 and name   HA )  2.5  0.7  0.2 ! A.2342 at -6.14e+06
assign (resid  23 and name HG1# ) (resid  62 and name   HA )  3.0  1.2  0.8 ! A.2350 at -2.43e+06
assign (resid  23 and name HG2# ) (resid  62 and name  HB2 )  3.0  1.2  0.8 ! A.1559 at -1.65e+06
assign (resid  23 and name HG1# ) (resid  62 and name  HB1 )  4.0  2.2  1.5 ! A.1227 at -2.55e+05
assign (resid  23 and name HG1# ) (resid  62 and name  HB2 )  4.0  2.2  1.5 ! A.1226 at -3.34e+05
assign (resid  23 and name   HA ) (resid  62 and name  HB2 )  4.0  2.2  1.0 ! A.152  at -5.15e+05
assign (resid  23 and name   HA ) (resid  62 and name  HB1 )  4.0  2.2  1.0 ! A.1536 at -4.21e+05
assign (resid  23 and name HG2# ) (resid  62 and name  HB1 )  3.0  1.2  0.8 ! A.2354 at -1.11e+06
assign (resid  23 and name   HA ) (resid  63 and name HD1# )  4.0  2.2  2.5 ! A.153  at 1.80e+05

! V24
assign (resid  24 and name   HA ) (resid  24 and name HG2# )  3.0  1.2  0.8 ! A.1135 at 2.81e+06
assign (resid  24 and name   HA ) (resid  24 and name HG1# )  3.0  1.2  0.8 ! A.1583 at 2.83e+06
assign (resid  24 and name HG1# ) (resid  25 and name  HB# )  4.0  2.2  1.5 ! A.1607 at 6.33e+05
assign (resid  24 and name   HA ) (resid  25 and name  HB# )  4.0  2.2  1.0 ! A.1609 at 3.57e+05
assign (resid  24 and name HG1# ) (resid  25 and name   HA )  4.0  2.2  1.5 ! A.1585 at 4.71e+05
assign (resid  24 and name   HA ) (resid  25 and name   HA )  4.0  2.2  2.0 ! A.1570 at 2.40e+05
assign (resid  24 and name HG1# ) (resid  26 and name  HB1 )  4.0  2.2  1.5 ! A.1621 at 2.61e+05
assign (resid  24 and name HG1# ) (resid  26 and name  HB2 )  4.0  2.2  2.5 ! A.1630 at 1.51e+05
assign (resid  24 and name HG1# ) (resid  26 and name  HD1 )  4.0  2.2  2.5 ! A.185  at -1.87e+05
assign (resid  24 and name HG1# ) (resid  26 and name  HH2 )  4.0  2.2  2.5 ! A.1588 at -2.02e+05
assign (resid  24 and name HG1# ) (resid  26 and name  HZ3 )  4.0  2.2  1.5 ! A.1586 at -6.90e+05
assign (resid  24 and name HG1# ) (resid  26 and name  HE3 )  3.0  1.2  0.8 ! A.1587 at -1.72e+06
assign (resid  24 and name   HB ) (resid  26 and name  HZ3 )  4.0  2.2  1.0 ! A.1572 at 2.68e+05
assign (resid  24 and name   HB ) (resid  26 and name  HE3 )  4.0  2.2  2.0 ! A.1571 at 2.08e+05
assign (resid  24 and name HG1# ) (resid  60 and name  HB2 )  4.0  2.2  2.5 ! A.2293 at 2.48e+05
assign (resid  24 and name HG1# ) (resid  60 and name   HA )  4.0  2.2  1.5 ! A.1584 at 3.43e+05
assign (resid  24 and name   HB ) (resid  60 and name   HA )  4.0  2.2  2.0 ! A.2282 at -1.87e+05
assign (resid  24 and name   HB ) (resid  61 and name HG1# )  3.0  1.2  0.8 ! A.2326 at -2.38e+06
assign (resid  24 and name HG2# ) (resid  63 and name HG11 )  4.0  2.2  1.5 ! A.2398 at 5.69e+05
assign (resid  24 and name HG1# ) (resid  63 and name HD1# )  4.0  2.2  2.0 ! A.1595 at 9.44e+05
assign (resid  24 and name   HB ) (resid  63 and name HD1# )  4.0  2.2  1.5 ! A.1582 at -4.54e+05
assign (resid  24 and name HG1# ) (resid  76 and name HG1# )  4.0  2.2  2.0 ! A.1596 at 4.35e+05
assign (resid  24 and name HG1# ) (resid  76 and name HG2# )  2.5  0.7  1.2 ! A.1597 at 5.24e+06
assign (resid  24 and name   HB ) (resid  76 and name HG2# )  4.0  2.2  1.5 ! A.887  at -2.67e+05
assign (resid  24 and name HG1# ) (resid  89 and name   HG )  4.0  2.2  1.5 ! A.2933 at 3.06e+05
assign (resid  24 and name   HB ) (resid  89 and name HD2# )  4.0  2.2  1.5 ! A.2929 at -4.34e+05
assign (resid  24 and name HG2# ) (resid  91 and name HG2# )  3.0  1.2  1.3 ! A.1152 at 2.75e+06

! S25
assign (resid  25 and name  HB# ) (resid  26 and name  HE3 )  4.0  2.2  2.0 ! A.1612 at -1.64e+05
assign (resid  25 and name   HA ) (resid  26 and name  HE3 )  4.0  2.2  1.0 ! A.190  at -5.99e+05
assign (resid  25 and name   HA ) (resid  26 and name  HZ3 )  4.0  2.2  2.0 ! A.119  at -2.19e+05
assign (resid  25 and name  HB# ) (resid  59 and name   HB )  4.0  2.2  1.0 ! A.1376 at 4.28e+05
assign (resid  25 and name   HA ) (resid  59 and name   HA )  4.0  2.2  2.0 ! A.494  at 2.30e+05
assign (resid  25 and name  HB# ) (resid  60 and name   HA )  3.0  1.2  0.3 ! A.1610 at 1.79e+06
assign (resid  25 and name   HA ) (resid  60 and name  HB1 )  3.0  1.2  0.3 ! A.2283 at 1.74e+06
assign (resid  25 and name   HA ) (resid  60 and name  HB2 )  3.0  1.2  0.3 ! A.2289 at 1.75e+06
assign (resid  25 and name   HA ) (resid  60 and name   HA )  2.5  0.7  0.2 ! A.168  at 8.65e+06
assign (resid  25 and name   HA ) (resid  61 and name HG1# )  4.0  2.2  1.5 ! A.2321 at 2.85e+05
assign (resid  25 and name   HA ) (resid  76 and name HG2# )  4.0  2.2  2.5 ! A.2704 at 1.77e+05
assign (resid  25 and name  HB# ) (resid  89 and name HD2# )  4.0  2.2  2.5 ! A.2923 at 1.93e+05

! W26
assign (resid  26 and name  HE3 ) (resid  26 and name  HB1 )  4.0  2.2  1.0 ! A.1439 at -4.90e+05
assign (resid  26 and name  HD1 ) (resid  26 and name  HB1 )  4.0  2.2  1.0 ! A.1440 at -3.75e+05
assign (resid  26 and name  HD1 ) (resid  26 and name  HB2 )  4.0  2.2  1.0 ! A.1623 at -4.32e+05
assign (resid  26 and name  HE3 ) (resid  26 and name  HB2 )  4.0  2.2  1.0 ! A.1624 at -4.48e+05
assign (resid  26 and name   HA ) (resid  26 and name  HE3 )  4.0  2.2  2.0 ! A.192  at -2.27e+05
assign (resid  26 and name  HD1 ) (resid  26 and name   HA )  4.0  2.2  1.0 ! A.170  at -3.98e+05
assign (resid  26 and name  HD1 ) (resid  27 and name   HA )  4.0  2.2  1.0 ! A.77   at -5.78e+05
assign (resid  26 and name   HA ) (resid  27 and name  HG* )  3.0  1.2  0.8 ! A.1655 at 1.05e+06
assign (resid  26 and name  HB2 ) (resid  27 and name   HA )  4.0  2.2  2.0 ! A.475  at 1.69e+05
assign (resid  26 and name   HA ) (resid  27 and name   HA )  4.0  2.2  1.0 ! A.242  at 2.76e+05
assign (resid  26 and name   HA ) (resid  27 and name   HB )  4.0  2.2  1.0 ! A.177  at -3.10e+05
assign (resid  26 and name  HD1 ) (resid  28 and name  HB# )  4.0  2.2  1.0 ! A.1662 at -9.64e+05
assign (resid  26 and name  HD1 ) (resid  28 and name   HA )  4.0  2.2  1.0 ! A.182  at -2.84e+05
assign (resid  26 and name  HZ2 ) (resid  36 and name  HB1 )  4.0  2.2  1.0 ! A.216  at -4.49e+05
assign (resid  26 and name  HZ2 ) (resid  36 and name  HD# )  4.0  2.2  2.0 ! A.218  at -2.36e+05
assign (resid  26 and name  HD1 ) (resid  36 and name  HE# )  4.0  2.2  2.0 ! A.1058 at 2.36e+05
assign (resid  26 and name  HZ2 ) (resid  36 and name  HE# )  4.0  2.2  2.0 ! A.1060 at -1.94e+05
assign (resid  26 and name  HD1 ) (resid  36 and name   HZ )  4.0  2.2  2.0 ! A.1076 at 1.69e+05
assign (resid  26 and name  HZ2 ) (resid  36 and name  HB2 )  4.0  2.2  1.0 ! A.1744 at -3.24e+05
assign (resid  26 and name  HZ2 ) (resid  38 and name HG2# )  4.0  2.2  1.5 ! A.212  at 3.79e+05
assign (resid  26 and name  HE3 ) (resid  38 and name HG2# )  4.0  2.2  2.5 ! A.1263 at -2.43e+05
assign (resid  26 and name  HZ3 ) (resid  38 and name HG2# )  4.0  2.2  1.5 ! A.1262 at -4.41e+05
assign (resid  26 and name  HH2 ) (resid  38 and name HG2# )  4.0  2.2  1.5 ! A.1261 at -7.68e+05
assign (resid  26 and name  HZ2 ) (resid  54 and name HD2# )  4.0  2.2  1.5 ! A.214  at 3.07e+05
assign (resid  26 and name  HZ2 ) (resid  54 and name   HG )  4.0  2.2  1.0 ! A.1765 at 2.65e+05
assign (resid  26 and name  HZ2 ) (resid  54 and name HD1# )  3.0  1.2  0.8 ! A.1635 at 1.16e+06
assign (resid  26 and name  HZ2 ) (resid  54 and name  HB1 )  4.0  2.2  1.0 ! A.2211 at -2.57e+05
assign (resid  26 and name  HH2 ) (resid  54 and name   HG )  4.0  2.2  2.0 ! A.2175 at -2.34e+05
assign (resid  26 and name  HH2 ) (resid  54 and name HD1# )  3.0  1.2  0.8 ! A.2184 at -1.54e+06
assign (resid  26 and name  HZ2 ) (resid  54 and name  HB2 )  4.0  2.2  2.0 ! A.2220 at -2.22e+05
assign (resid  26 and name  HH2 ) (resid  54 and name HD2# )  4.0  2.2  1.5 ! A.2115 at -4.26e+05
assign (resid  26 and name  HH2 ) (resid  54 and name  HB2 )  4.0  2.2  2.0 ! A.233  at 1.52e+05
assign (resid  26 and name  HZ2 ) (resid  58 and name  HB# )  3.0  1.2  0.8 ! A.208  at 1.74e+06
assign (resid  26 and name  HH2 ) (resid  58 and name  HB# )  4.0  2.2  1.5 ! A.1098 at -5.25e+05
assign (resid  26 and name  HZ2 ) (resid  59 and name   HA )  4.0  2.2  1.0 ! A.217  at 4.62e+05
assign (resid  26 and name  HD1 ) (resid  59 and name   HB )  4.0  2.2  2.0 ! A.1381 at -1.86e+05
assign (resid  26 and name  HD1 ) (resid  59 and name   HA )  4.0  2.2  1.0 ! A.484  at -5.18e+05
assign (resid  26 and name  HZ3 ) (resid  60 and name   HA )  4.0  2.2  1.0 ! A.499  at -3.49e+05
assign (resid  26 and name  HE3 ) (resid  60 and name   HA )  4.0  2.2  1.0 ! A.500  at -4.26e+05
assign (resid  26 and name  HH2 ) (resid  60 and name   HA )  4.0  2.2  1.0 ! A.501  at -2.76e+05
assign (resid  26 and name  HZ2 ) (resid  61 and name   HB )  4.0  2.2  1.0 ! A.215  at -3.21e+05
assign (resid  26 and name  HZ2 ) (resid  61 and name HG1# )  4.0  2.2  1.5 ! A.213  at 3.11e+05
assign (resid  26 and name  HH2 ) (resid  61 and name HG1# )  3.0  1.2  0.8 ! A.2316 at -1.41e+06
assign (resid  26 and name  HZ3 ) (resid  61 and name HG1# )  3.0  1.2  0.8 ! A.2317 at -1.40e+06
assign (resid  26 and name  HE3 ) (resid  61 and name HG1# )  4.0  2.2  1.5 ! A.2318 at -5.02e+05
assign (resid  26 and name  HH2 ) (resid  61 and name   HB )  4.0  2.2  1.0 ! A.224  at 7.36e+05
assign (resid  26 and name  HH2 ) (resid  61 and name HG2# )  4.0  2.2  1.5 ! A.229  at -2.74e+05
assign (resid  26 and name  HH2 ) (resid  61 and name   HA )  4.0  2.2  2.0 ! A.231  at -1.86e+05
assign (resid  26 and name  HZ3 ) (resid  61 and name   HB )  4.0  2.2  2.0 ! A.2335 at 2.23e+05
assign (resid  26 and name  HB1 ) (resid  76 and name HG2# )  4.0  2.2  1.5 ! A.1618 at 2.84e+05
assign (resid  26 and name  HB1 ) (resid  76 and name HG1# )  4.0  2.2  1.5 ! A.1620 at 2.53e+05
assign (resid  26 and name  HB2 ) (resid  76 and name HG1# )  4.0  2.2  2.5 ! A.1629 at 2.42e+05
assign (resid  26 and name  HB2 ) (resid  76 and name HG2# )  4.0  2.2  1.5 ! A.1632 at 2.62e+05
assign (resid  26 and name  HZ2 ) (resid  76 and name HG1# )  4.0  2.2  2.5 ! A.210  at 1.89e+05
assign (resid  26 and name   HA ) (resid  76 and name HG2# )  4.0  2.2  1.5 ! A.180  at 2.85e+05
assign (resid  26 and name  HH2 ) (resid  76 and name HG2# )  4.0  2.2  2.5 ! A.878  at -1.66e+05
assign (resid  26 and name  HZ3 ) (resid  76 and name HG2# )  4.0  2.2  1.5 ! A.877  at -2.52e+05
assign (resid  26 and name  HE3 ) (resid  76 and name HG2# )  4.0  2.2  1.5 ! A.876  at -8.64e+05
assign (resid  26 and name  HD1 ) (resid  76 and name HG1# )  4.0  2.2  2.5 ! A.902  at -2.09e+05
assign (resid  26 and name  HE3 ) (resid  76 and name HG1# )  4.0  2.2  1.5 ! A.898  at -4.06e+05
assign (resid  26 and name   HA ) (resid  76 and name HG1# )  4.0  2.2  2.5 ! A.904  at 1.58e+05
assign (resid  26 and name  HZ3 ) (resid  76 and name HG1# )  4.0  2.2  2.5 ! A.897  at -1.94e+05
assign (resid  26 and name  HH2 ) (resid  76 and name HG1# )  4.0  2.2  1.5 ! A.895  at -2.78e+05
assign (resid  26 and name  HB1 ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.1619 at 4.98e+05
assign (resid  26 and name  HB2 ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.1628 at 6.00e+05
assign (resid  26 and name  HB2 ) (resid  88 and name HG12 )  4.0  2.2  1.0 ! A.1627 at 6.60e+05
assign (resid  26 and name  HB2 ) (resid  88 and name HG2# )  4.0  2.2  2.5 ! A.1633 at 1.48e+05
assign (resid  26 and name  HD1 ) (resid  88 and name HD1# )  3.0  1.2  0.8 ! A.1028 at -1.13e+06
assign (resid  26 and name   HA ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.178  at 4.57e+05
assign (resid  26 and name  HB1 ) (resid  89 and name HD1# )  4.0  2.2  1.5 ! A.2128 at 4.67e+05
assign (resid  26 and name  HB1 ) (resid  89 and name HD2# )  4.0  2.2  1.5 ! A.1617 at 6.14e+05
assign (resid  26 and name  HB2 ) (resid  89 and name HD1# )  4.0  2.2  1.5 ! A.1631 at 3.35e+05
assign (resid  26 and name  HB2 ) (resid  89 and name HD2# )  4.0  2.2  1.5 ! A.2925 at 5.14e+05
assign (resid  26 and name   HA ) (resid  89 and name HD2# )  3.0  1.2  0.8 ! A.175  at 1.11e+06
assign (resid  26 and name  HE3 ) (resid  89 and name HD2# )  4.0  2.2  1.5 ! A.2919 at -4.41e+05
assign (resid  26 and name   HA ) (resid  89 and name HD1# )  4.0  2.2  1.5 ! A.2118 at 7.82e+05
assign (resid  26 and name   HA ) (resid  89 and name  HB2 )  4.0  2.2  2.0 ! A.1615 at -2.03e+05

! V27
assign (resid  27 and name   HA ) (resid  27 and name  HG* )  3.0  1.2  0.8 ! A.1656 at 4.18e+06
assign (resid  27 and name   HA ) (resid  28 and name  HB# )  4.0  2.2  1.0 ! A.1664 at 5.17e+05
assign (resid  27 and name   HA ) (resid  28 and name   HA )  4.0  2.2  1.0 ! A.241  at 4.14e+05
assign (resid  27 and name   HB ) (resid  28 and name   HA )  4.0  2.2  2.0 ! A.1501 at -2.08e+05
assign (resid  27 and name  HG* ) (resid  29 and name   HA )  4.0  2.2  1.5 ! A.249  at -4.85e+05
assign (resid  27 and name   HB ) (resid  29 and name  HB# )  4.0  2.2  1.5 ! A.1096 at -4.62e+05
assign (resid  27 and name   HA ) (resid  59 and name HG2# )  3.0  1.2  0.8 ! A.2278 at 1.02e+06
assign (resid  27 and name   HA ) (resid  59 and name   HA )  4.0  2.2  2.0 ! A.476  at 2.21e+05
assign (resid  27 and name   HA ) (resid  59 and name   HB )  4.0  2.2  1.0 ! A.243  at 5.32e+05

! S28
assign (resid  28 and name  HB# ) (resid  29 and name   HA )  4.0  2.2  1.0 ! A.250  at -3.34e+05
assign (resid  28 and name  HB# ) (resid  29 and name  HB# )  4.0  2.2  1.5 ! A.1089 at 3.02e+05
assign (resid  28 and name   HA ) (resid  29 and name  HB# )  4.0  2.2  1.5 ! A.1086 at 7.75e+05
assign (resid  28 and name  HB# ) (resid  33 and name HG2# )  4.0  2.2  1.5 ! A.1667 at 1.25e+06
assign (resid  28 and name   HA ) (resid  33 and name HG1# )  4.0  2.2  1.5 ! A.1230 at 5.46e+05
assign (resid  28 and name  HB# ) (resid  33 and name HG1# )  3.0  1.2  0.8 ! A.1240 at 1.04e+06
assign (resid  28 and name   HA ) (resid  33 and name HG2# )  4.0  2.2  1.5 ! A.265  at 6.14e+05
assign (resid  28 and name  HB# ) (resid  36 and name  HE# )  4.0  2.2  1.0 ! A.1063 at -6.12e+05
assign (resid  28 and name  HB# ) (resid  36 and name  HD# )  4.0  2.2  2.0 ! A.303  at -1.51e+05
assign (resid  28 and name   HA ) (resid  36 and name   HZ )  4.0  2.2  1.0 ! A.245  at -3.19e+05
assign (resid  28 and name  HB# ) (resid  36 and name   HZ )  3.0  1.2  0.3 ! A.1661 at -1.29e+06
assign (resid  28 and name   HA ) (resid  36 and name  HE# )  4.0  2.2  2.0 ! A.246  at -1.95e+05
assign (resid  28 and name  HB# ) (resid  59 and name HG2# )  3.0  1.2  0.8 ! A.1666 at 1.71e+06
assign (resid  28 and name  HB# ) (resid  59 and name   HA )  4.0  2.2  2.0 ! A.1670 at 2.09e+05
assign (resid  28 and name   HA ) (resid  59 and name HG2# )  3.0  1.2  0.8 ! A.107  at 1.44e+06
assign (resid  28 and name  HB# ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.1668 at 8.41e+05
assign (resid  28 and name  HB# ) (resid  88 and name HG2# )  4.0  2.2  1.5 ! A.1669 at 2.52e+05
assign (resid  28 and name   HA ) (resid  88 and name HD1# )  3.0  1.2  0.8 ! A.825  at 1.08e+06
assign (resid  28 and name   HA ) (resid  88 and name HG2# )  4.0  2.2  1.5 ! A.1500 at 3.49e+05

! A29
assign (resid  29 and name   HA ) (resid  30 and name  HB2 )  4.0  2.2  1.0 ! A.251  at -3.04e+05
assign (resid  29 and name  HB# ) (resid  30 and name  HB1 )  4.0  2.2  1.5 ! A.1091 at 2.77e+05
assign (resid  29 and name  HB# ) (resid  30 and name  HB2 )  4.0  2.2  1.5 ! A.1087 at 2.53e+05
assign (resid  29 and name   HA ) (resid  33 and name HG1# )  4.0  2.2  2.5 ! A.253  at -2.23e+05
assign (resid  29 and name  HB# ) (resid  33 and name HG2# )  4.0  2.2  2.0 ! A.1252 at 6.96e+05
assign (resid  29 and name  HB# ) (resid  33 and name HG1# )  4.0  2.2  2.0 ! A.1707 at 6.21e+05
assign (resid  29 and name  HB# ) (resid  36 and name   HZ )  4.0  2.2  1.5 ! A.1085 at -3.07e+05
assign (resid  29 and name   HA ) (resid  88 and name HG2# )  4.0  2.2  1.5 ! A.252  at -2.61e+05
assign (resid  29 and name  HB# ) (resid  88 and name HD1# )  4.0  2.2  2.0 ! A.1095 at 3.41e+05
assign (resid  29 and name  HB# ) (resid  88 and name HG2# )  3.0  1.2  1.3 ! A.1094 at 1.02e+06

! S30
assign (resid  30 and name  HB2 ) (resid  33 and name HG1# )  3.0  1.2  0.8 ! A.1518 at 1.97e+06
assign (resid  30 and name  HB2 ) (resid  33 and name   HB )  4.0  2.2  2.0 ! A.1681 at -2.14e+05
assign (resid  30 and name  HB2 ) (resid  33 and name HG2# )  4.0  2.2  1.5 ! A.1255 at 8.57e+05
assign (resid  30 and name   HA ) (resid  33 and name   HB )  4.0  2.2  2.0 ! A.1652 at -2.45e+05

! D31
assign (resid  31 and name  HB# ) (resid  32 and name HG2# )  4.0  2.2  1.5 ! A.1126 at -7.35e+05
assign (resid  31 and name  HB# ) (resid  32 and name   HA )  4.0  2.2  1.0 ! A.1693 at -2.72e+05
assign (resid  31 and name   HA ) (resid  32 and name   HA )  4.0  2.2  1.0 ! A.1565 at 2.68e+05
assign (resid  31 and name   HA ) (resid  32 and name HG2# )  4.0  2.2  2.5 ! A.1686 at 2.05e+05
assign (resid  31 and name   HA ) (resid  33 and name HG2# )  4.0  2.2  1.5 ! A.1247 at 6.38e+05
assign (resid  31 and name   HA ) (resid  33 and name HG1# )  4.0  2.2  1.5 ! A.1229 at 5.68e+05

! T32
assign (resid  32 and name   HA ) (resid  32 and name HG2# )  2.5  0.7  0.7 ! A.1122 at 6.59e+06
assign (resid  32 and name   HB ) (resid  33 and name   HA )  4.0  2.2  1.0 ! A.1696 at 2.54e+05
assign (resid  32 and name HG2# ) (resid  81 and name  HB# )  4.0  2.2  1.5 ! A.2825 at 3.99e+05
assign (resid  32 and name   HA ) (resid  81 and name  HB# )  4.0  2.2  2.0 ! A.2827 at 2.18e+05
assign (resid  32 and name   HB ) (resid  81 and name  HB# )  4.0  2.2  1.0 ! A.2021 at 5.16e+05
assign (resid  32 and name   HB ) (resid  81 and name  HG# )  4.0  2.2  1.0 ! A.1364 at -6.62e+05
assign (resid  32 and name HG2# ) (resid  81 and name  HG# )  4.0  2.2  1.5 ! A.1125 at -5.30e+05
assign (resid  32 and name   HA ) (resid  81 and name  HG# )  4.0  2.2  1.0 ! A.1567 at -5.20e+05

! V33
assign (resid  33 and name   HA ) (resid  33 and name HG2# )  3.0  1.2  0.8 ! A.1250 at 3.55e+06
assign (resid  33 and name   HA ) (resid  33 and name HG1# )  3.0  1.2  0.8 ! A.1234 at 3.25e+06
assign (resid  33 and name   HA ) (resid  34 and name  HB# )  4.0  2.2  1.0 ! A.1724 at 3.78e+05
assign (resid  33 and name HG2# ) (resid  34 and name   HA )  4.0  2.2  1.5 ! A.1248 at 4.00e+05
assign (resid  33 and name   HA ) (resid  34 and name   HA )  4.0  2.2  1.0 ! A.1699 at 3.11e+05
assign (resid  33 and name HG2# ) (resid  35 and name  HA1 )  4.0  2.2  1.5 ! A.276  at -4.16e+05
assign (resid  33 and name HG2# ) (resid  35 and name  HA2 )  4.0  2.2  1.5 ! A.271  at -4.29e+05
assign (resid  33 and name HG1# ) (resid  36 and name  HD# )  4.0  2.2  1.5 ! A.297  at -4.71e+05
assign (resid  33 and name HG2# ) (resid  36 and name  HE# )  4.0  2.2  1.5 ! A.1065 at -8.94e+05
assign (resid  33 and name HG1# ) (resid  36 and name   HZ )  4.0  2.2  1.5 ! A.1079 at -8.75e+05
assign (resid  33 and name HG2# ) (resid  36 and name   HZ )  4.0  2.2  1.5 ! A.1080 at -7.12e+05
assign (resid  33 and name HG2# ) (resid  36 and name   HA )  4.0  2.2  2.5 ! A.1245 at 2.68e+05 
assign (resid  33 and name HG1# ) (resid  36 and name   HA )  4.0  2.2  2.5 ! A.1232 at 2.07e+05
assign (resid  33 and name HG1# ) (resid  36 and name  HE# )  4.0  2.2  1.5 ! A.1238 at -4.95e+05
assign (resid  33 and name HG1# ) (resid  56 and name  HB2 )  3.0  1.2  0.8 ! A.2268 at 2.32e+06
assign (resid  33 and name HG2# ) (resid  56 and name  HB2 )  3.0  1.2  0.8 ! A.2267 at 2.32e+06
assign (resid  33 and name   HB ) (resid  56 and name  HB2 )  4.0  2.2  1.0 ! A.1680 at -5.45e+05
assign (resid  33 and name HG2# ) (resid  56 and name  HB1 )  3.0  1.2  0.8 ! A.2271 at 1.22e+06
assign (resid  33 and name HG1# ) (resid  56 and name  HB1 )  3.0  1.2  0.8 ! A.2272 at 1.46e+06
assign (resid  33 and name   HB ) (resid  56 and name  HB1 )  4.0  2.2  1.0 ! A.1649 at -3.51e+05
assign (resid  33 and name HG2# ) (resid  56 and name   HA )  3.0  1.2  0.8 ! A.1249 at 1.34e+06
assign (resid  33 and name HG1# ) (resid  56 and name   HA )  3.0  1.2  0.8 ! A.1233 at 1.36e+06
assign (resid  33 and name   HB ) (resid  56 and name   HA )  4.0  2.2  1.0 ! A.1647 at -2.76e+05
assign (resid  33 and name HG1# ) (resid  78 and name  HB1 )  4.0  2.2  1.5 ! A.2768 at 7.97e+05
assign (resid  33 and name   HA ) (resid  78 and name  HG1 )  4.0  2.2  1.0 ! A.1701 at -2.90e+05
assign (resid  33 and name HG1# ) (resid  78 and name  HG1 )  4.0  2.2  1.5 ! A.2069 at -5.60e+05
assign (resid  33 and name HG2# ) (resid  78 and name  HG1 )  4.0  2.2  1.5 ! A.2760 at -6.77e+05
assign (resid  33 and name HG2# ) (resid  79 and name   HB )  4.0  2.2  2.5 ! A.2787 at -1.94e+05
assign (resid  33 and name HG1# ) (resid  80 and name  HB2 )  4.0  2.2  2.5 ! A.2815 at 1.89e+05
assign (resid  33 and name HG2# ) (resid  80 and name   HA )  4.0  2.2  1.5 ! A.1246 at 7.02e+05
assign (resid  33 and name HG1# ) (resid  80 and name   HA )  4.0  2.2  1.5 ! A.1231  at 6.22e+05
assign (resid  33 and name   HA ) (resid  80 and name  HB1 )  4.0  2.2  1.0 ! A.1698 at 5.03e+05
assign (resid  33 and name   HA ) (resid  80 and name  HB2 )  4.0  2.2  1.0 ! A.1697 at 5.23e+05
assign (resid  33 and name   HA ) (resid  80 and name   HA )  2.5  0.7  0.2 ! A.260  at 5.51e+06
assign (resid  33 and name   HB ) (resid  80 and name   HA )  4.0  2.2  1.0 ! A.713  at -4.45e+05
assign (resid  33 and name   HA ) (resid  81 and name  HB# )  4.0  2.2  2.0 ! A.263  at 2.28e+05
assign (resid  33 and name   HA ) (resid  81 and name  HG# )  4.0  2.2  1.0 ! A.1700 at -2.71e+05

! S34
assign (resid  34 and name   HA ) (resid  35 and name  HA1 )  4.0  2.2  2.0 ! A.1344 at -1.77e+05
assign (resid  34 and name   HA ) (resid  56 and name  HB2 )  4.0  2.2  1.0 ! A.2269 at 6.27e+05
assign (resid  34 and name   HA ) (resid  56 and name   HA )  4.0  2.2  1.0 ! A.268  at 3.59e+05
assign (resid  34 and name  HB# ) (resid  79 and name HG11 )  4.0  2.2  2.0 ! A.1726 at 1.67e+05
assign (resid  34 and name  HB# ) (resid  79 and name HG2# )  3.0  1.2  0.8 ! A.1720 at 2.15e+06
assign (resid  34 and name  HB# ) (resid  79 and name HD1# )  4.0  2.2  2.5 ! A.1725 at 2.43e+05
assign (resid  34 and name  HB# ) (resid  79 and name   HB )  3.0  1.2  0.3 ! A.1719 at -1.05e+06
assign (resid  34 and name  HB# ) (resid  79 and name HG12 )  4.0  2.2  2.0 ! A.1727 at 1.36e+05
assign (resid  34 and name   HA ) (resid  79 and name   HB )  4.0  2.2  2.0 ! A.1716 at -1.99e+05
assign (resid  34 and name  HB# ) (resid  80 and name   HA )  4.0  2.2  1.0 ! A.1723 at 7.17e+05
assign (resid  34 and name  HB# ) (resid  81 and name  HB# )  4.0  2.2  1.0 ! A.2824 at 4.53e+05
assign (resid  34 and name   HA ) (resid  81 and name  HB# )  4.0  2.2  2.0 ! A.2829 at 3.05e+05
assign (resid  34 and name  HB# ) (resid  81 and name   HA )  3.0  1.2  0.3 ! A.1721 at 4.31e+06
assign (resid  34 and name  HB# ) (resid  81 and name  HG# )  4.0  2.2  1.0 ! A.1718 at -9.22e+05
assign (resid  34 and name   HA ) (resid  81 and name  HG# )  4.0  2.2  1.0 ! A.266  at -3.83e+05

! G35
assign (resid  35 and name  HA2 ) (resid  36 and name   HA )  4.0  2.2  2.0 ! A.1341 at -1.96e+05
assign (resid  35 and name  HA2 ) (resid  36 and name  HD# )  4.0  2.2  2.0 ! A.1342 at 1.77e+05
assign (resid  35 and name  HA1 ) (resid  55 and name   HA )  4.0  2.2  1.0 ! A.274  at -5.90e+05
assign (resid  35 and name  HA2 ) (resid  55 and name   HA )  4.0  2.2  1.0 ! A.270  at -6.06e+05
assign (resid  35 and name  HA1 ) (resid  56 and name   HA )  4.0  2.2  1.0 ! A.273  at -1.11e+06 
assign (resid  35 and name  HA2 ) (resid  56 and name   HA )  3.0  1.2  0.3 ! A.269  at -1.60e+06
assign (resid  35 and name  HA1 ) (resid  79 and name   HB )  4.0  2.2  1.0 ! A.277  at 4.24e+05
assign (resid  35 and name  HA1 ) (resid  79 and name HD1# )  4.0  2.2  1.5 ! A.279  at -3.42e+05
assign (resid  35 and name  HA2 ) (resid  79 and name HD1# )  4.0  2.2  2.5 ! A.1340 at -2.01e+05
assign (resid  35 and name  HA2 ) (resid  79 and name   HB )  4.0  2.2  2.0 ! A.272  at 2.43e+05

! F36
assign (resid  36 and name  HB1 ) (resid  36 and name  HE# )  4.0  2.2  1.0 ! A.1064 at 3.23e+05
assign (resid  36 and name   HA ) (resid  36 and name  HD# )  4.0  2.2  1.0 ! A.290  at -6.90e+05
assign (resid  36 and name  HB1 ) (resid  36 and name  HD# )  3.0  1.2  0.3 ! A.292  at 1.34e+06
assign (resid  36 and name   HA ) (resid  36 and name  HE# )  4.0  2.2  1.0 ! A.1070 at -2.54e+05
assign (resid  36 and name  HD# ) (resid  36 and name  HB2 )  4.0  2.2  1.0 ! A.1743 at 7.76e+05
assign (resid  36 and name  HB1 ) (resid  38 and name HG2# )  4.0  2.2  1.5 ! A.1738 at -3.98e+05
assign (resid  36 and name  HB2 ) (resid  38 and name HG2# )  4.0  2.2  1.5 ! A.1745 at -3.38e+05
assign (resid  36 and name  HD# ) (resid  54 and name HD1# )  4.0  2.2  2.5 ! A.304  at -1.97e+05
assign (resid  36 and name  HD# ) (resid  54 and name  HB2 )  4.0  2.2  2.0 ! A.298  at 2.47e+05
assign (resid  36 and name  HB2 ) (resid  54 and name   HG )  4.0  2.2  2.0 ! A.2176 at -2.40e+05
assign (resid  36 and name  HB2 ) (resid  54 and name HD1# )  4.0  2.2  1.5 ! A.2195 at -9.03e+05
assign (resid  36 and name  HB2 ) (resid  54 and name  HB1 )  4.0  2.2  1.0 ! A.2217 at 7.19e+05
assign (resid  36 and name  HB2 ) (resid  54 and name  HB2 )  4.0  2.2  1.0 ! A.2225 at 8.99e+05
assign (resid  36 and name  HB1 ) (resid  54 and name  HB2 )  4.0  2.2  1.0 ! A.1753 at 8.93e+05
assign (resid  36 and name  HB1 ) (resid  54 and name HD2# )  4.0  2.2  1.5 ! A.1736 at -3.71e+05
assign (resid  36 and name  HB1 ) (resid  54 and name HD1# )  4.0  2.2  1.5 ! A.1737 at -5.69e+05
assign (resid  36 and name  HB2 ) (resid  54 and name HD2# )  4.0  2.2  1.5 ! A.1750 at -3.40e+05
assign (resid  36 and name  HB1 ) (resid  54 and name   HG )  4.0  2.2  2.0 ! A.1740 at -2.14e+05
assign (resid  36 and name   HA ) (resid  54 and name  HB2 )  4.0  2.2  1.0 ! A.285  at -2.69e+05
assign (resid  36 and name  HE# ) (resid  56 and name   HA )  4.0  2.2  1.0 ! A.1062 at -7.36e+05
assign (resid  36 and name  HD# ) (resid  56 and name   HA )  4.0  2.2  1.0 ! A.293  at -6.00e+05
assign (resid  36 and name  HD# ) (resid  56 and name  HB2 )  4.0  2.2  2.0 ! A.301  at -1.55e+05
assign (resid  36 and name   HZ ) (resid  56 and name   HA )  4.0  2.2  1.0 ! A.2259 at -4.62e+05
assign (resid  36 and name  HE# ) (resid  58 and name  HB# )  4.0  2.2  1.5 ! A.1066 at -2.98e+05
assign (resid  36 and name  HD# ) (resid  58 and name  HB# )  4.0  2.2  1.5 ! A.294  at -6.11e+05
assign (resid  36 and name  HB1 ) (resid  58 and name  HB# )  4.0  2.2  1.5 ! A.1735 at -2.79e+05
assign (resid  36 and name  HB2 ) (resid  58 and name  HB# )  4.0  2.2  1.5 ! A.1111 at -4.62e+05
assign (resid  36 and name  HE# ) (resid  76 and name HG1# )  4.0  2.2  1.5 ! A.1067 at -2.59e+05
assign (resid  36 and name  HD# ) (resid  76 and name HG1# )  4.0  2.2  1.5 ! A.295  at -6.76e+05
assign (resid  36 and name  HB1 ) (resid  76 and name HG1# )  4.0  2.2  1.5 ! A.1734 at -6.40e+05
assign (resid  36 and name  HB2 ) (resid  76 and name HG1# )  4.0  2.2  1.5 ! A.1746 at -5.33e+05
assign (resid  36 and name   HA ) (resid  76 and name HG1# )  4.0  2.2  1.5 ! A.899  at 2.76e+05
assign (resid  36 and name  HE# ) (resid  78 and name   HA )  4.0  2.2  1.0 ! A.1061 at -3.77e+05
assign (resid  36 and name  HE# ) (resid  78 and name  HG2 )  4.0  2.2  1.0 ! A.1071 at 2.52e+05
assign (resid  36 and name  HE# ) (resid  78 and name  HB1 )  4.0  2.2  1.0 ! A.1072 at -3.57e+05
assign (resid  36 and name  HD# ) (resid  78 and name  HB1 )  4.0  2.2  1.0 ! A.305  at -3.12e+05
assign (resid  36 and name  HD# ) (resid  78 and name   HA )  3.0  1.2  0.3 ! A.291  at -1.37e+06
assign (resid  36 and name  HB1 ) (resid  78 and name   HA )  4.0  2.2  1.0 ! A.1733 at -3.91e+05
assign (resid  36 and name  HB2 ) (resid  78 and name   HA )  4.0  2.2  1.0 ! A.1742 at -3.34e+05
assign (resid  36 and name   HA ) (resid  78 and name   HA )  3.0  1.2  0.3 ! A.283  at 3.69e+06
assign (resid  36 and name   HA ) (resid  78 and name  HB2 )  4.0  2.2  1.0 ! A.289  at 3.67e+05
assign (resid  36 and name   HZ ) (resid  78 and name   HA )  4.0  2.2  2.0 ! A.2758 at -1.87e+05
assign (resid  36 and name   HA ) (resid  79 and name HG11 )  4.0  2.2  1.0 ! A.2664 at 3.69e+05
assign (resid  36 and name   HA ) (resid  79 and name HG12 )  4.0  2.2  1.0 ! A.2797 at 3.75e+05
assign (resid  36 and name   HA ) (resid  79 and name   HB )  4.0  2.2  2.0 ! A.2783 at -2.15e+05
assign (resid  36 and name   HA ) (resid  79 and name HD1# )  4.0  2.2  1.5 ! A.284  at 6.43e+05
assign (resid  36 and name  HE# ) (resid  88 and name HD1# )  3.0  1.2  0.8 ! A.1068 at -1.06e+06
assign (resid  36 and name  HD# ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.296  at -6.46e+05
assign (resid  36 and name  HD# ) (resid  88 and name HG11 )  4.0  2.2  2.0 ! A.300  at -2.10e+05
assign (resid  36 and name  HE# ) (resid  88 and name HG11 )  4.0  2.2  2.0 ! A.1069 at -1.94e+05
assign (resid  36 and name   HZ ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.1078 at -3.26e+05
assign (resid  36 and name  HB1 ) (resid  88 and name HD1# )  4.0  2.2  2.5 ! A.2913 at -2.23e+05

! R37
assign (resid  37 and name   HA ) (resid  37 and name  HG1 )  3.0  1.2  0.3 ! A.1757 at 1.13e+06
assign (resid  37 and name   HA ) (resid  37 and name  HG2 )  4.0  2.2  1.0 ! A.1767 at 7.46e+05
assign (resid  37 and name  HB2 ) (resid  37 and name  HD# )  3.0  1.2  0.3 ! A.1416 at 2.06e+06
assign (resid  37 and name  HB1 ) (resid  37 and name  HD# )  3.0  1.2  0.3 ! A.1417 at 1.84e+06
assign (resid  37 and name   HA ) (resid  37 and name  HD# )  4.0  2.2  1.0 ! A.1413 at -9.63e+05
assign (resid  37 and name  HG1 ) (resid  38 and name   HA )  4.0  2.2  2.0 ! A.1764 at 1.63e+05
assign (resid  37 and name   HA ) (resid  38 and name HG2# )  4.0  2.2  1.5 ! A.1260 at 4.55e+05
assign (resid  37 and name  HG2 ) (resid  51 and name  HD# )  4.0  2.2  1.0 ! A.427  at -5.59e+05
assign (resid  37 and name  HG1 ) (resid  51 and name  HD# )  4.0  2.2  1.0 ! A.429  at -4.84e+05
assign (resid  37 and name  HG2 ) (resid  51 and name  HB2 )  4.0  2.2  1.0 ! A.2090 at -2.98e+05
assign (resid  37 and name  HG1 ) (resid  51 and name  HB2 )  4.0  2.2  1.0 ! A.2091 at -3.59e+05
assign (resid  37 and name  HG1 ) (resid  51 and name   HA )  4.0  2.2  1.0 ! A.13   at 2.79e+05
assign (resid  37 and name  HG2 ) (resid  51 and name   HA )  4.0  2.2  2.0 ! A.2080 at 1.28e+05
assign (resid  37 and name  HB1 ) (resid  77 and name  HD# )  4.0  2.2  1.0 ! A.681  at 4.13e+05
assign (resid  37 and name  HG2 ) (resid  77 and name  HD# )  4.0  2.2  1.0 ! A.678  at -3.86e+05
assign (resid  37 and name  HG2 ) (resid  77 and name  HB2 )  4.0  2.2  2.0 ! A.1768 at -2.24e+05
assign (resid  37 and name  HG1 ) (resid  77 and name  HB2 )  4.0  2.2  2.0 ! A.2733 at -1.74e+05
assign (resid  37 and name  HB1 ) (resid  77 and name  HB2 )  4.0  2.2  1.0 ! A.2728 at 5.43e+05
assign (resid  37 and name  HB2 ) (resid  77 and name  HB2 )  4.0  2.2  1.0 ! A.2730 at 3.13e+05
assign (resid  37 and name  HB1 ) (resid  77 and name  HB1 )  4.0  2.2  1.0 ! A.2743 at 4.73e+05
assign (resid  37 and name  HB2 ) (resid  77 and name  HB1 )  4.0  2.2  2.0 ! A.2744 at 2.94e+05
assign (resid  37 and name  HB1 ) (resid  77 and name   HA )  4.0  2.2  2.0 ! A.2718 at -1.66e+05
assign (resid  37 and name   HA ) (resid  77 and name  HD# )  4.0  2.2  2.0 ! A.1755 at -1.56e+05
assign (resid  37 and name  HB2 ) (resid  77 and name  HD# )  4.0  2.2  1.0 ! A.1771 at 3.93e+05
assign (resid  37 and name  HG1 ) (resid  79 and name HD1# )  4.0  2.2  1.5 ! A.1761 at 3.31e+05
assign (resid  37 and name  HD# ) (resid  79 and name HD1# )  3.0  1.2  0.8 ! A.1414 at -1.17e+06
assign (resid  37 and name  HB2 ) (resid  79 and name HD1# )  3.0  1.2  0.8 ! A.1550 at -1.08e+06
assign (resid  37 and name  HB1 ) (resid  79 and name HD1# )  4.0  2.2  1.5 ! A.1786 at -9.03e+05
assign (resid  37 and name   HA ) (resid  79 and name HD1# )  4.0  2.2  1.5 ! A.2170 at 2.96e+05

! V38
assign (resid  38 and name   HA ) (resid  38 and name HG2# )  3.0  1.2  0.8 ! A.1267 at 3.88e+06
assign (resid  38 and name   HA ) (resid  38 and name HG1# )  3.0  1.2  0.8 ! A.1805 at 4.12e+06
assign (resid  38 and name HG1# ) (resid  39 and name   HA )  4.0  2.2  1.5 ! A.326  at 4.88e+05
assign (resid  38 and name HG1# ) (resid  40 and name  HD# )  3.0  1.2  0.8 ! A.339  at -2.17e+06
assign (resid  38 and name HG1# ) (resid  40 and name  HE# )  4.0  2.2  1.5 ! A.1804 at -4.62e+05
assign (resid  38 and name HG1# ) (resid  51 and name   HA )  4.0  2.2  1.5 ! A.10   at 3.02e+05
assign (resid  38 and name   HB ) (resid  52 and name   HG )  4.0  2.2  1.0 ! A.2180 at -4.10e+05
assign (resid  38 and name   HB ) (resid  52 and name HD1# )  3.0  1.2  0.8 ! A.2143 at -1.01e+06
assign (resid  38 and name HG2# ) (resid  52 and name  HB2 )  3.0  1.2  0.8 ! A.1268 at -1.03e+06
assign (resid  38 and name HG1# ) (resid  52 and name  HB2 )  4.0  2.2  1.5 ! A.2163 at -5.16e+05
assign (resid  38 and name   HB ) (resid  52 and name  HB2 )  3.0  1.2  0.3 ! A.2157 at 1.68e+06
assign (resid  38 and name   HB ) (resid  52 and name  HB1 )  4.0  2.2  1.0 ! A.2165 at 1.68e+06
assign (resid  38 and name   HB ) (resid  52 and name HD2# )  4.0  2.2  1.5 ! A.2125 at -5.93e+05
assign (resid  38 and name HG2# ) (resid  54 and name   HA )  4.0  2.2  2.5 ! A.2173 at -1.49e+05
assign (resid  38 and name HG2# ) (resid  54 and name   HG )  3.0  1.2  0.8 ! A.2111 at 1.07e+06
assign (resid  38 and name HG2# ) (resid  54 and name HD1# )  3.0  1.2  1.3 ! A.2198 at 3.23e+06
assign (resid  38 and name HG2# ) (resid  54 and name  HB2 )  4.0  2.2  1.5 ! A.2669 at -4.47e+05
assign (resid  38 and name HG2# ) (resid  54 and name HD2# )  3.0  1.2  1.3 ! A.2183 at 1.82e+06
assign (resid  38 and name   HA ) (resid  54 and name HD1# )  4.0  2.2  2.5 ! A.321  at 2.37e+05
assign (resid  38 and name HG2# ) (resid  61 and name HG1# )  2.5  0.7  1.2 ! A.2332 at 5.52e+06
assign (resid  38 and name HG2# ) (resid  61 and name   HB )  4.0  2.2  1.5 ! A.2339 at -5.20e+05
assign (resid  38 and name   HB ) (resid  61 and name HG1# )  4.0  2.2  1.5 ! A.1798 at -7.78e+05
assign (resid  38 and name HG1# ) (resid  63 and name HG12 )  4.0  2.2  1.5 ! A.2410 at 4.01e+05
assign (resid  38 and name HG1# ) (resid  63 and name HG11 )  4.0  2.2  1.5 ! A.1809 at 4.31e+05
assign (resid  38 and name HG1# ) (resid  63 and name HD1# )  3.0  1.2  1.3 ! A.1604 at 4.85e+06
assign (resid  38 and name HG1# ) (resid  63 and name HG2# )  4.0  2.2  2.0 ! A.1808 at 5.31e+05
assign (resid  38 and name   HB ) (resid  63 and name HD1# )  4.0  2.2  1.5 ! A.1794 at -3.63e+05
assign (resid  38 and name HG2# ) (resid  76 and name HG2# )  2.5  0.7  1.2 ! A.1275 at 6.95e+06
assign (resid  38 and name HG2# ) (resid  76 and name HG1# )  3.0  1.2  1.3 ! A.1259 at 3.54e+06
assign (resid  38 and name HG2# ) (resid  76 and name   HA )  3.0  1.2  0.8 ! A.1266 at 1.35e+06
assign (resid  38 and name HG1# ) (resid  76 and name HG1# )  4.0  2.2  2.0 ! A.1807 at 5.73e+05
assign (resid  38 and name   HA ) (resid  76 and name HG2# )  3.0  1.2  0.8 ! A.881  at 1.21e+06
assign (resid  38 and name   HA ) (resid  76 and name HG1# )  4.0  2.2  1.5 ! A.317  at 7.70e+05
assign (resid  38 and name   HA ) (resid  76 and name   HA )  3.0  1.2  0.3 ! A.315  at 4.30e+06
assign (resid  38 and name HG1# ) (resid  76 and name   HB )  4.0  2.2  1.5 ! A.2713 at -6.19e+05
assign (resid  38 and name   HA ) (resid  77 and name  HD# )  4.0  2.2  1.0 ! A.674  at -2.65e+05

! E39
assign (resid  39 and name   HA ) (resid  39 and name  HG1 )  4.0  2.2  1.0 ! A.1818 at -8.42e+05
assign (resid  39 and name   HA ) (resid  39 and name  HG2 )  4.0  2.2  1.0 ! A.1823 at -6.32e+05
assign (resid  39 and name   HA ) (resid  40 and name  HD# )  4.0  2.2  1.0 ! A.348  at -4.67e+05
assign (resid  39 and name  HB2 ) (resid  51 and name  HD# )  4.0  2.2  1.0 ! A.430  at 4.99e+05
assign (resid  39 and name   HA ) (resid  51 and name  HD# )  3.0  1.2  0.3 ! A.328  at -1.07e+06
assign (resid  39 and name  HG1 ) (resid  51 and name  HD# )  4.0  2.2  1.0 ! A.1185 at 3.70e+05
assign (resid  39 and name   HA ) (resid  51 and name  HB1 )  4.0  2.2  1.0 ! A.2084 at -7.37e+05
assign (resid  39 and name  HG1 ) (resid  51 and name  HB1 )  4.0  2.2  1.0 ! A.2086 at 5.01e+05
assign (resid  39 and name  HB2 ) (resid  51 and name  HB1 )  4.0  2.2  1.0 ! A.2087 at 5.48e+05
assign (resid  39 and name  HG1 ) (resid  51 and name  HE# )  3.0  1.2  0.3 ! A.435  at 1.23e+06
assign (resid  39 and name  HG2 ) (resid  51 and name  HE# )  4.0  2.2  1.0 ! A.1822 at 7.04e+05
assign (resid  39 and name  HG2 ) (resid  51 and name  HD# )  4.0  2.2  2.0 ! A.1821 at 2.30e+05
assign (resid  39 and name   HA ) (resid  51 and name   HA )  3.0  1.2  0.3 ! A.7    at 3.96e+06
assign (resid  39 and name  HB2 ) (resid  51 and name   HA )  4.0  2.2  1.0 ! A.15   at -3.10e+05
assign (resid  39 and name  HG2 ) (resid  51 and name   HA )  4.0  2.2  1.0 ! A.14   at -3.44e+05
assign (resid  39 and name   HA ) (resid  51 and name  HE# )  4.0  2.2  1.0 ! A.329  at -6.69e+05
assign (resid  39 and name  HB1 ) (resid  75 and name  HB2 )  4.0  2.2  1.0 ! A.2089 at 7.65e+05
assign (resid  39 and name  HB1 ) (resid  75 and name  HB1 )  4.0  2.2  1.0 ! A.2688 at 4.75e+05
assign (resid  39 and name  HG2 ) (resid  75 and name  HB2 )  4.0  2.2  2.0 ! A.1824 at 2.14e+05
assign (resid  39 and name  HB2 ) (resid  75 and name  HB1 )  4.0  2.2  2.0 ! A.1843 at 2.45e+05
assign (resid  39 and name  HB1 ) (resid  77 and name  HD# )  4.0  2.2  1.0 ! A.2749 at 3.41e+05
assign (resid  39 and name  HB1 ) (resid  77 and name  HE# )  3.0  1.2  0.3 ! A.437  at 1.36e+06
assign (resid  39 and name  HB2 ) (resid  77 and name  HE# )  3.0  1.2  0.3 ! A.438  at 1.74e+06
assign (resid  39 and name  HB1 ) (resid  87 and name HD1# )  4.0  2.2  2.5 ! A.1003 at -1.67e+05

! Y40
assign (resid  40 and name   HA ) (resid  40 and name  HD# )  4.0  2.2  1.0 ! A.349  at -7.93e+05
assign (resid  40 and name  HB2 ) (resid  40 and name  HD# )  3.0  1.2  0.3 ! A.338  at 1.77e+06
assign (resid  40 and name  HB1 ) (resid  40 and name  HD# )  3.0  1.2  0.3 ! A.337  at 1.57e+06
assign (resid  40 and name  HE# ) (resid  40 and name  HB1 )  4.0  2.2  2.0 ! A.1850 at 2.32e+05
assign (resid  40 and name  HE# ) (resid  40 and name  HB2 )  4.0  2.2  1.0 ! A.1688 at 3.72e+05
assign (resid  40 and name  HD# ) (resid  41 and name   HA )  4.0  2.2  1.0 ! A.368  at -2.92e+05
assign (resid  40 and name   HA ) (resid  41 and name  HG1 )  4.0  2.2  2.0 ! A.1847 at -3.40e+05 
assign (resid  40 and name  HB2 ) (resid  41 and name   HA )  4.0  2.2  2.0 ! A.1869 at -2.41e+05
assign (resid  40 and name   HA ) (resid  41 and name  HB2 )  4.0  2.2  2.0 ! A.1882 at -2.07e+05
assign (resid  40 and name  HE# ) (resid  50 and name  HB1 )  4.0  2.2  1.0 ! A.2070 at -5.44e+05
assign (resid  40 and name  HD# ) (resid  50 and name  HB1 )  4.0  2.2  2.0 ! A.2071 at -2.13e+05
assign (resid  40 and name  HD# ) (resid  50 and name  HB2 )  4.0  2.2  1.0 ! A.344  at -2.67e+05
assign (resid  40 and name  HE# ) (resid  50 and name  HB2 )  4.0  2.2  1.0 ! A.2075 at -6.14e+05
assign (resid  40 and name  HE# ) (resid  50 and name  HG# )  4.0  2.2  1.0 ! A.363  at 4.48e+05
assign (resid  40 and name  HD# ) (resid  50 and name  HG# )  4.0  2.2  1.0 ! A.1878 at 2.59e+05
assign (resid  40 and name  HE# ) (resid  50 and name   HA )  4.0  2.2  2.0 ! A.423  at -2.00e+05
assign (resid  40 and name  HD# ) (resid  50 and name   HA )  4.0  2.2  2.0 ! A.419  at -2.21e+05
assign (resid  40 and name  HD# ) (resid  51 and name   HA )  4.0  2.2  1.0 ! A.351  at -3.77e+05
assign (resid  40 and name  HD# ) (resid  52 and name HD1# )  4.0  2.2  1.5 ! A.345  at -3.51e+05
assign (resid  40 and name  HD# ) (resid  52 and name   HG )  4.0  2.2  2.0 ! A.346  at -2.06e+05
assign (resid  40 and name  HE# ) (resid  52 and name   HG )  3.0  1.2  0.3 ! A.2101 at -1.10e+06
assign (resid  40 and name  HE# ) (resid  52 and name HD1# )  3.0  1.2  0.8 ! A.2141 at -1.44e+06
assign (resid  40 and name  HE# ) (resid  52 and name  HB1 )  4.0  2.2  1.0 ! A.2166 at 2.81e+05
assign (resid  40 and name  HE# ) (resid  52 and name  HB2 )  4.0  2.2  1.0 ! A.2155 at 2.77e+05
assign (resid  40 and name  HE# ) (resid  52 and name HD2# )  4.0  2.2  1.5 ! A.2114 at -7.99e+05
assign (resid  40 and name  HD# ) (resid  63 and name HD1# )  4.0  2.2  1.5 ! A.342  at -7.63e+05
assign (resid  40 and name  HD# ) (resid  63 and name HG2# )  4.0  2.2  1.5 ! A.341  at -7.35e+05
assign (resid  40 and name  HE# ) (resid  63 and name HG11 )  4.0  2.2  2.0 ! A.2392 at -1.63e+05
assign (resid  40 and name  HB1 ) (resid  63 and name HD1# )  4.0  2.2  1.5 ! A.1852 at -4.22e+05
assign (resid  40 and name  HB1 ) (resid  63 and name HG2# )  4.0  2.2  2.5 ! A.1853 at -1.67e+05
assign (resid  40 and name  HB2 ) (resid  63 and name HD1# )  4.0  2.2  1.5 ! A.1858 at -3.92e+05
assign (resid  40 and name  HB2 ) (resid  63 and name HG2# )  4.0  2.2  2.5 ! A.1859 at -1.44e+05
assign (resid  40 and name  HE# ) (resid  63 and name HG2# )  3.0  1.2  0.8 ! A.921  at -1.08e+06
assign (resid  40 and name  HE# ) (resid  63 and name HD1# )  4.0  2.2  1.5 ! A.1182 at -3.61e+05
assign (resid  40 and name   HA ) (resid  63 and name HD1# )  4.0  2.2  1.5 ! A.5    at 3.63e+05
assign (resid  40 and name  HD# ) (resid  66 and name HD2# )  3.0  1.2  0.8 ! A.340  at -1.33e+06
assign (resid  40 and name  HB2 ) (resid  66 and name HD1# )  4.0  2.2  2.5 ! A.861  at -2.12e+05
assign (resid  40 and name  HE# ) (resid  66 and name HD1# )  4.0  2.2  2.5 ! A.849  at -1.55e+05
assign (resid  40 and name  HB1 ) (resid  66 and name HD2# )  4.0  2.2  2.5 ! A.1854 at -1.47e+05
assign (resid  40 and name  HB2 ) (resid  66 and name HD2# )  4.0  2.2  1.5 ! A.1860 at -3.64e+05
assign (resid  40 and name  HE# ) (resid  66 and name HD2# )  3.0  1.2  0.8 ! A.945  at -2.38e+06
assign (resid  40 and name  HD# ) (resid  72 and name  HE# )  4.0  2.2  1.0 ! A.336  at 7.62e+05
assign (resid  40 and name   HA ) (resid  72 and name  HD# )  4.0  2.2  2.0 ! A.1846 at -2.06e+05
assign (resid  40 and name   HA ) (resid  73 and name HG2# )  4.0  2.2  1.5 ! A.1844 at 2.83e+05
assign (resid  40 and name  HD# ) (resid  74 and name   HA )  4.0  2.2  2.0 ! A.347  at -2.16e+05
assign (resid  40 and name  HD# ) (resid  74 and name HG1# )  4.0  2.2  1.5 ! A.1265 at -4.21e+05
assign (resid  40 and name  HB2 ) (resid  74 and name HG2# )  3.0  1.2  0.8 ! A.1862 at -1.93e+06
assign (resid  40 and name  HB1 ) (resid  74 and name HG2# )  3.0  1.2  0.8 ! A.1855 at -1.54e+06
assign (resid  40 and name  HB1 ) (resid  74 and name   HA )  4.0  2.2  1.0 ! A.1851 at -6.54e+05
assign (resid  40 and name  HB2 ) (resid  74 and name   HA )  4.0  2.2  1.0 ! A.1694 at -6.30e+05
assign (resid  40 and name   HA ) (resid  74 and name HG2# )  3.0  1.2  0.8 ! A.1175 at 1.34e+06
assign (resid  40 and name   HA ) (resid  74 and name   HA )  3.0  1.2  0.3 ! A.630  at 4.16e+06

! E41
assign (resid  41 and name   HA ) (resid  41 and name  HG1 )  4.0  2.2  1.0 ! A.1874 at -6.90e+05
assign (resid  41 and name   HA ) (resid  42 and name HD2# )  4.0  2.2  2.5 ! A.370  at 1.80e+05
assign (resid  41 and name   HA ) (resid  49 and name  HB1 )  4.0  2.2  1.0 ! A.2046 at 6.27e+05
assign (resid  41 and name   HA ) (resid  49 and name   HA )  3.0  1.2  0.3 ! A.416  at 2.05e+06
assign (resid  41 and name  HG2 ) (resid  49 and name   HA )  4.0  2.2  1.0 ! A.2029 at -9.34e+05
assign (resid  41 and name  HB1 ) (resid  49 and name   HA )  4.0  2.2  1.0 ! A.1884 at -9.72e+05
assign (resid  41 and name   HA ) (resid  72 and name  HE# )  4.0  2.2  1.0 ! A.607  at -3.00e+05
assign (resid  41 and name   HA ) (resid  72 and name  HD# )  4.0  2.2  1.0 ! A.1873 at -2.52e+05
assign (resid  41 and name  HG1 ) (resid  73 and name   HB )  4.0  2.2  1.0 ! A.1461 at 8.41e+05

! L42
assign (resid  42 and name   HA ) (resid  42 and name   HG )  3.0  1.2  0.3 ! A.1915 at 1.17e+06
assign (resid  42 and name   HA ) (resid  42 and name HD1# )  3.0  1.2  0.8 ! A.1927 at 1.25e+06
assign (resid  42 and name  HB1 ) (resid  42 and name HD1# )  3.0  1.2  0.8 ! A.1944 at -3.95e+06
assign (resid  42 and name  HB2 ) (resid  42 and name HD1# )  3.0  1.2  0.8 ! A.1945 at -2.73e+06
assign (resid  42 and name   HA ) (resid  42 and name HD2# )  3.0  1.2  0.8 ! A.986  at 4.32e+06
assign (resid  42 and name  HB2 ) (resid  42 and name HD2# )  3.0  1.2  0.8 ! A.976  at -1.47e+06
assign (resid  42 and name  HB1 ) (resid  42 and name HD2# )  3.0  1.2  0.8 ! A.975  at -2.48e+06
assign (resid  42 and name   HA ) (resid  43 and name  HB# )  4.0  2.2  1.0 ! A.1966 at 2.51e+05
assign (resid  42 and name  HB1 ) (resid  43 and name   HA )  4.0  2.2  2.0 ! A.1955 at -1.71e+05
assign (resid  42 and name HD2# ) (resid  44 and name  HB1 )  4.0  2.2  2.5 ! A.2005 at 2.03e+05
assign (resid  42 and name  HB1 ) (resid  44 and name  HG# )  4.0  2.2  1.0 ! A.1904 at 4.41e+05
assign (resid  42 and name  HB1 ) (resid  44 and name  HB1 )  4.0  2.2  1.0 ! A.1911 at -2.84e+05
assign (resid  42 and name HD2# ) (resid  44 and name  HG# )  4.0  2.2  1.5 ! A.1971 at -5.24e+05
assign (resid  42 and name  HB2 ) (resid  45 and name  HB1 )  4.0  2.2  1.0 ! A.2003 at -2.63e+05
assign (resid  42 and name  HB2 ) (resid  45 and name  HB2 )  4.0  2.2  1.0 ! A.1994 at -3.11e+05
assign (resid  42 and name HD1# ) (resid  45 and name  HB1 )  4.0  2.2  1.5 ! A.2004 at 2.76e+05
assign (resid  42 and name  HB1 ) (resid  45 and name  HB1 )  4.0  2.2  2.0 ! A.2002 at -2.49e+05
assign (resid  42 and name HD1# ) (resid  45 and name  HB2 )  4.0  2.2  1.5 ! A.1990 at 3.57e+05
assign (resid  42 and name HD2# ) (resid  45 and name  HB2 )  4.0  2.2  1.5 ! A.1991 at 2.84e+05
assign (resid  42 and name  HB1 ) (resid  45 and name  HB2 )  4.0  2.2  2.0 ! A.1993 at -2.34e+05
assign (resid  42 and name HD1# ) (resid  45 and name  HG# )  4.0  2.2  1.5 ! A.1933 at -6.41e+05
assign (resid  42 and name HD2# ) (resid  45 and name  HB1 )  4.0  2.2  2.5 ! A.983  at 2.20e+05
assign (resid  42 and name HD2# ) (resid  45 and name  HG# )  4.0  2.2  1.5 ! A.981  at -4.71e+05
assign (resid  42 and name  HB2 ) (resid  45 and name  HG# )  4.0  2.2  1.0 ! A.1892 at 3.49e+05
assign (resid  42 and name   HG ) (resid  46 and name  HA# )  4.0  2.2  2.0 ! A.403  at -1.38e+05
assign (resid  42 and name  HB2 ) (resid  46 and name  HA# )  4.0  2.2  1.0 ! A.397  at 3.20e+05
assign (resid  42 and name  HB1 ) (resid  46 and name  HA# )  4.0  2.2  2.0 ! A.398  at 2.04e+05
assign (resid  42 and name HD1# ) (resid  46 and name  HA# )  4.0  2.2  1.5 ! A.399  at -5.65e+05
assign (resid  42 and name HD2# ) (resid  46 and name  HA# )  4.0  2.2  2.5 ! A.400  at -1.47e+05
assign (resid  42 and name HD1# ) (resid  47 and name  HB1 )  4.0  2.2  1.5 ! A.1932 at -4.63e+05
assign (resid  42 and name HD1# ) (resid  47 and name  HB2 )  4.0  2.2  1.5 ! A.1935 at -4.04e+05
assign (resid  42 and name HD2# ) (resid  47 and name  HB1 )  4.0  2.2  2.5 ! A.984  at -1.85e+05
assign (resid  42 and name HD2# ) (resid  47 and name  HB2 )  4.0  2.2  2.5 ! A.985  at -1.38e+05
assign (resid  42 and name HD2# ) (resid  66 and name HD2# )  4.0  2.2  3.0 ! A.973  at 2.05e+05
assign (resid  42 and name HD2# ) (resid  67 and name HD1# )  3.0  1.2  1.3 ! A.2466 at 1.84e+06
assign (resid  42 and name HD2# ) (resid  67 and name  HB2 )  4.0  2.2  1.5 ! A.979  at -3.71e+05
assign (resid  42 and name HD1# ) (resid  67 and name  HB1 )  4.0  2.2  1.5 ! A.2528 at -3.21e+05
assign (resid  42 and name HD2# ) (resid  70 and name   HA )  4.0  2.2  1.5 ! A.556  at -6.13e+05
assign (resid  42 and name HD1# ) (resid  70 and name   HA )  4.0  2.2  2.5 ! A.2556 at -2.00e+05
assign (resid  42 and name HD1# ) (resid  70 and name  HB# )  4.0  2.2  1.5 ! A.1948 at -9.32e+05
assign (resid  42 and name HD1# ) (resid  70 and name  HD2 )  4.0  2.2  1.5 ! A.1934 at -4.17e+05
assign (resid  42 and name HD2# ) (resid  70 and name  HB# )  3.0  1.2  0.8 ! A.980  at -2.70e+06
assign (resid  42 and name HD2# ) (resid  70 and name  HD2 )  3.0  1.2  0.8 ! A.972  at -1.01e+06
assign (resid  42 and name HD2# ) (resid  70 and name  HD1 )  4.0  2.2  1.5 ! A.1393 at -6.99e+05
assign (resid  42 and name HD1# ) (resid  70 and name  HD1 )  4.0  2.2  1.5 ! A.1394 at -3.48e+05
assign (resid  42 and name HD2# ) (resid  72 and name  HD# )  4.0  2.2  1.5 ! A.594  at -4.41e+05
assign (resid  42 and name   HG ) (resid  72 and name  HD# )  4.0  2.2  2.0 ! A.596  at -1.85e+05
assign (resid  42 and name   HA ) (resid  72 and name  HD# )  4.0  2.2  1.0 ! A.590  at -4.18e+05
assign (resid  42 and name   HG ) (resid  72 and name  HE# )  4.0  2.2  1.0 ! A.1913 at -7.84e+05
assign (resid  42 and name HD1# ) (resid  72 and name   HA )  4.0  2.2  1.5 ! A.1928 at 2.65e+05
assign (resid  42 and name HD1# ) (resid  72 and name  HE# )  4.0  2.2  1.5 ! A.1929 at -4.32e+05
assign (resid  42 and name HD2# ) (resid  72 and name   HA )  3.0  1.2  0.8 ! A.576  at 1.09e+06
assign (resid  42 and name HD2# ) (resid  72 and name  HE# )  3.0  1.2  0.8 ! A.990  at -1.05e+06
assign (resid  42 and name  HB2 ) (resid  72 and name   HA )  4.0  2.2  2.0 ! A.1890 at -1.63e+05
assign (resid  42 and name  HB2 ) (resid  72 and name  HE# )  4.0  2.2  2.0 ! A.1889 at 2.03e+05
assign (resid  42 and name  HB1 ) (resid  72 and name  HE# )  4.0  2.2  2.0 ! A.1899 at 2.04e+05
assign (resid  42 and name  HB1 ) (resid  72 and name   HA )  4.0  2.2  1.0 ! A.1901 at -2.61e+05
assign (resid  42 and name   HA ) (resid  72 and name  HB2 )  4.0  2.2  1.0 ! A.2630 at -2.87e+05
assign (resid  42 and name HD2# ) (resid  72 and name  HB2 )  4.0  2.2  2.5 ! A.1865 at -2.30e+05
assign (resid  42 and name   HG ) (resid  72 and name   HA )  4.0  2.2  1.0 ! A.583  at 3.40e+05
assign (resid  42 and name   HA ) (resid  72 and name   HA )  3.0  1.2  0.3 ! A.574  at 4.45e+06
assign (resid  42 and name   HA ) (resid  72 and name  HE# )  4.0  2.2  1.0 ! A.605  at -3.44e+05

! S43
assign (resid  43 and name  HB# ) (resid  44 and name  HG# )  4.0  2.2  1.0 ! A.1964 at -4.40e+05
assign (resid  43 and name  HB# ) (resid  71 and name  HD# )  3.0  1.2  0.3 ! A.2620 at 1.22e+06
assign (resid  43 and name  HB# ) (resid  71 and name  HG1 )  4.0  2.2  1.0 ! A.2603 at 5.01e+05
assign (resid  43 and name  HB# ) (resid  71 and name  HG2 )  4.0  2.2  1.0 ! A.2611 at 7.76e+05
assign (resid  43 and name  HB# ) (resid  71 and name   HA )  4.0  2.2  1.0 ! A.568  at 3.38e+05
assign (resid  43 and name  HB# ) (resid  71 and name  HB1 )  3.0  1.2  0.3 ! A.1957 at -1.31e+06
assign (resid  43 and name  HB# ) (resid  71 and name  HB2 )  4.0  2.2  1.0 ! A.2594 at -8.96e+05
assign (resid  43 and name  HB# ) (resid  72 and name   HA )  4.0  2.2  1.0 ! A.1965 at 3.15e+05
assign (resid  43 and name   HA ) (resid  72 and name   HA )  4.0  2.2  2.0 ! A.586  at 1.89e+05
assign (resid  43 and name  HB# ) (resid  73 and name HG12 )  4.0  2.2  1.0 ! A.2649 at 9.77e+05
assign (resid  43 and name   HA ) (resid  73 and name HG12 )  4.0  2.2  1.0 ! A.2650 at 6.73e+05
assign (resid  43 and name  HB# ) (resid  73 and name HG11 )  4.0  2.2  1.0 ! A.2656 at 9.69e+05
assign (resid  43 and name   HA ) (resid  73 and name HG11 )  4.0  2.2  1.0 ! A.2657 at 6.97e+05
assign (resid  43 and name  HB# ) (resid  73 and name HD1# )  3.0  1.2  0.8 ! A.1962 at 1.69e+06
assign (resid  43 and name  HB# ) (resid  73 and name   HB )  4.0  2.2  1.0 ! A.1460 at -2.96e+05
assign (resid  43 and name  HB# ) (resid  73 and name HG2# )  4.0  2.2  1.5 ! A.1968 at 4.31e+05
assign (resid  43 and name   HA ) (resid  73 and name HG2# )  4.0  2.2  1.5 ! A.388  at 4.55e+05
assign (resid  43 and name   HA ) (resid  73 and name HD1# )  3.0  1.2  0.8 ! A.387  at 1.87e+06
assign (resid  43 and name   HA ) (resid  73 and name   HB )  4.0  2.2  1.0 ! A.389  at -2.72e+05

! E44
assign (resid  44 and name  HG# ) (resid  44 and name   HA )  3.0  1.2  0.3 ! A.391  at -4.97e+06
assign (resid  44 and name  HB2 ) (resid  45 and name  HG# )  2.5  0.7  0.2 ! A.2823 at -1.98e+07

! E45
assign (resid  45 and name   HA ) (resid  45 and name  HG# )  2.5  0.7  0.2 ! A.1819 at -5.66e+06
assign (resid  45 and name  HB1 ) (resid  46 and name  HA# )  4.0  2.2  2.0 ! A.405  at -1.66e+05
assign (resid  45 and name  HB2 ) (resid  46 and name  HA# )  4.0  2.2  2.0 ! A.1348 at -1.26e+05
assign (resid  45 and name   HA ) (resid  46 and name  HA# )  4.0  2.2  1.0 ! A.401  at -2.53e+05
assign (resid  45 and name  HG# ) (resid  46 and name  HA# )  4.0  2.2  2.0 ! A.1434  at 2.55e+05
assign (resid  45 and name  HB1 ) (resid  47 and name  HB2 )  4.0  2.2  2.0 ! A.2012 at -1.88e+05
assign (resid  45 and name  HG# ) (resid  70 and name  HG# )  4.0  2.2  1.0 ! A.1972 at -4.18e+05

! G46
assign (resid  46 and name  HA# ) (resid  47 and name   HA )  4.0  2.2  1.0 ! A.409  at -3.45e+05

! D47
assign (resid  47 and name   HA ) (resid  48 and name  HG# )  4.0  2.2  1.0 ! A.407  at -3.17e+05

! E48
assign (resid  48 and name   HA ) (resid  48 and name  HG# )  3.0  1.2  0.3 ! A.2025 at -1.58e+06
assign (resid  48 and name   HA ) (resid  49 and name  HB2 )  4.0  2.2  2.0 ! A.2038 at 3.33e+05
assign (resid  48 and name  HB2 ) (resid  49 and name  HD1 )  4.0  2.2  1.0 ! A.2034 at -6.41e+05
assign (resid  48 and name  HB1 ) (resid  49 and name  HD1 )  4.0  2.2  1.0 ! A.2033 at -8.43e+05
assign (resid  48 and name  HG# ) (resid  49 and name  HD1 )  4.0  2.2  1.0 ! A.1338 at 5.18e+05
assign (resid  48 and name   HA ) (resid  49 and name  HD1 )  2.5  0.7  0.2 ! A.1337 at -7.09e+06
assign (resid  48 and name  HG# ) (resid  49 and name  HD2 )  4.0  2.2  1.0 ! A.1333 at 9.74e+05
assign (resid  48 and name   HA ) (resid  49 and name  HD2 )  2.5  0.7  0.2 ! A.1335 at -6.39e+06
assign (resid  48 and name  HB1 ) (resid  49 and name  HD2 )  3.0  1.2  0.3 ! A.1336 at -1.21e+06
assign (resid  48 and name  HB2 ) (resid  49 and name  HD2 )  4.0  2.2  1.0 ! A.1998 at -7.58e+05
assign (resid  48 and name   HA ) (resid  49 and name  HG2 )  4.0  2.2  1.0 ! A.2056 at 5.83e+05
assign (resid  48 and name   HA ) (resid  49 and name  HG1 )  4.0  2.2  1.0 ! A.2061 at 5.83e+05

! P49
assign (resid  49 and name  HD1 ) (resid  49 and name  HB1 )  4.0  2.2  1.0 ! A.2047 at -8.10e+05
assign (resid  49 and name  HD2 ) (resid  49 and name  HB1 )  4.0  2.2  1.0 ! A.2048 at -6.42e+05
assign (resid  49 and name  HD2 ) (resid  49 and name  HB2 )  4.0  2.2  1.0 ! A.2039 at -6.33e+05
assign (resid  49 and name  HD1 ) (resid  49 and name  HB2 )  4.0  2.2  1.0 ! A.2040 at -4.53e+05
assign (resid  49 and name   HA ) (resid  49 and name  HD1 )  4.0  2.2  1.0 ! A.1339 at -4.10e+05
assign (resid  49 and name   HA ) (resid  49 and name  HD2 )  4.0  2.2  1.0 ! A.1334 at -4.65e+05
assign (resid  49 and name   HA ) (resid  49 and name  HG2 )  4.0  2.2  1.0 ! A.2054 at 9.94e+05
assign (resid  49 and name   HA ) (resid  49 and name  HG1 )  4.0  2.2  1.0 ! A.2060 at 8.93e+05
assign (resid  49 and name   HA ) (resid  50 and name  HG# )  4.0  2.2  1.0 ! A.2028 at -9.13e+05
assign (resid  49 and name  HB1 ) (resid  51 and name  HE# )  4.0  2.2  2.0 ! A.2775 at -1.97e+05
assign (resid  49 and name  HB2 ) (resid  51 and name  HE# )  4.0  2.2  1.0 ! A.2037 at -6.18e+05
assign (resid  49 and name  HG2 ) (resid  51 and name  HE# )  4.0  2.2  1.0 ! A.2055 at -2.58e+05
assign (resid  49 and name  HG1 ) (resid  51 and name  HE# )  4.0  2.2  1.0 ! A.2058 at -3.49e+05
assign (resid  49 and name  HD2 ) (resid  51 and name  HE# )  4.0  2.2  2.0 ! A.2754 at 1.62e+05
assign (resid  49 and name   HA ) (resid  51 and name  HE# )  4.0  2.2  2.0 ! A.2753 at -1.61e+05

! Q50
assign (resid  50 and name   HA ) (resid  50 and name  HG# )  3.0  1.2  0.3 ! A.1875 at -3.66e+06
assign (resid  50 and name   HA ) (resid  51 and name  HD# )  4.0  2.2  1.0 ! A.431  at -7.08e+05
assign (resid  50 and name   HA ) (resid  51 and name   HA )  4.0  2.2  2.0 ! A.17   at 2.21e+05
assign (resid  50 and name   HA ) (resid  51 and name  HE# )  4.0  2.2  2.0 ! A.418  at -2.32e+05

! Y51
assign (resid  51 and name  HB1 ) (resid  51 and name  HD# )  3.0  1.2  0.3 ! A.426  at 2.94e+06
assign (resid  51 and name  HB2 ) (resid  51 and name  HD# )  3.0  1.2  0.3 ! A.1184 at 2.08e+06
assign (resid  51 and name   HA ) (resid  51 and name  HD# )  3.0  1.2  0.3 ! A.428  at -1.21e+06
assign (resid  51 and name  HE# ) (resid  51 and name  HB2 )  4.0  2.2  1.0 ! A.2094 at 3.59e+05
assign (resid  51 and name  HB2 ) (resid  52 and name   HA )  4.0  2.2  1.0 ! A.2096 at -2.91e+05
assign (resid  51 and name   HA ) (resid  52 and name   HA )  4.0  2.2  2.0 ! A.16   at 2.38e+05
assign (resid  51 and name   HA ) (resid  52 and name HD2# )  4.0  2.2  2.5 ! A.12   at 1.88e+05
assign (resid  51 and name   HA ) (resid  52 and name   HG )  4.0  2.2  1.0 ! A.13   at 2.79e+05
assign (resid  51 and name   HA ) (resid  52 and name  HB2 )  4.0  2.2  2.0 ! A.11   at -2.00e+05
assign (resid  51 and name  HD# ) (resid  52 and name   HA )  4.0  2.2  2.0 ! A.444  at -1.94e+05

! L52
assign (resid  52 and name   HA ) (resid  52 and name   HG )  4.0  2.2  1.0 ! A.2100 at 8.32e+05
assign (resid  52 and name   HA ) (resid  52 and name HD1# )  4.0  2.2  1.5 ! A.2140 at 6.81e+05
assign (resid  52 and name  HB2 ) (resid  52 and name HD1# )  2.5  0.7  0.7 ! A.2144 at -5.23e+06
assign (resid  52 and name HD2# ) (resid  52 and name  HB1 )  3.0  1.2  0.8 ! A.2160 at -3.85e+06
assign (resid  52 and name   HA ) (resid  52 and name HD2# )  2.5  0.7  0.7 ! A.2112 at 6.33e+06
assign (resid  52 and name  HB1 ) (resid  53 and name   HA )  4.0  2.2  1.0 ! A.446  at -2.64e+05
assign (resid  52 and name  HB1 ) (resid  54 and name HD1# )  4.0  2.2  1.5 ! A.2202 at -9.77e+05
assign (resid  52 and name   HA ) (resid  54 and name HD1# )  4.0  2.2  2.5 ! A.2904 at 2.37e+05
assign (resid  52 and name HD1# ) (resid  61 and name HG2# )  3.0  1.2  1.3 ! A.2151 at 2.82e+06
assign (resid  52 and name  HB2 ) (resid  61 and name HG1# )  4.0  2.2  1.5 ! A.2327 at -3.16e+05
assign (resid  52 and name HD1# ) (resid  63 and name   HA )  4.0  2.2  1.5 ! A.2137 at 8.06e+05
assign (resid  52 and name HD1# ) (resid  63 and name HG2# )  3.0  1.2  1.3 ! A.2147 at 1.36e+06
assign (resid  52 and name HD1# ) (resid  63 and name HD1# )  3.0  1.2  1.3 ! A.2148 at 1.43e+06
assign (resid  52 and name HD2# ) (resid  63 and name HG2# )  4.0  2.2  2.0 ! A.2133 at 5.26e+05
assign (resid  52 and name HD2# ) (resid  63 and name   HA )  4.0  2.2  1.5 ! A.2122 at 2.62e+05
assign (resid  52 and name HD2# ) (resid  63 and name HD1# )  4.0  2.2  2.0 ! A.2134 at 4.80e+05
assign (resid  52 and name HD1# ) (resid  64 and name  HD1 )  4.0  2.2  1.5 ! A.1314 at -6.29e+05
assign (resid  52 and name HD1# ) (resid  64 and name  HD2 )  4.0  2.2  1.5 ! A.1281 at -7.35e+05
assign (resid  52 and name HD2# ) (resid  64 and name  HD2 )  4.0  2.2  1.5 ! A.1288 at -3.86e+05
assign (resid  52 and name HD2# ) (resid  64 and name  HG2 )  4.0  2.2  2.5 ! A.2428 at 2.30e+05

! D53
assign (resid  53 and name   HA ) (resid  54 and name HD1# )  4.0  2.2  1.5 ! A.2191 at 3.40e+05
assign (resid  53 and name   HA ) (resid  54 and name HD2# )  4.0  2.2  1.5 ! A.2119 at 4.88e+05

! L54
assign (resid  54 and name   HG ) (resid  54 and name   HA )  4.0  2.2  1.0 ! A.448  at -9.41e+05
assign (resid  54 and name HD2# ) (resid  54 and name   HA )  3.0  1.2  0.8 ! A.452  at -4.05e+06
assign (resid  54 and name HD1# ) (resid  54 and name   HA )  4.0  2.2  1.5 ! A.453  at -8.53e+05
assign (resid  54 and name  HB2 ) (resid  54 and name HD1# )  3.0  1.2  0.8 ! A.2199 at -2.19e+06
assign (resid  54 and name HD1# ) (resid  54 and name  HB1 )  3.0  1.2  0.8 ! A.2215 at -1.37e+06
assign (resid  54 and name HD2# ) (resid  54 and name  HB1 )  3.0  1.2  0.8 ! A.2214 at -1.67e+06
assign (resid  54 and name HD2# ) (resid  54 and name  HB2 )  3.0  1.2  0.8 ! A.2226 at -1.69e+06
assign (resid  54 and name   HA ) (resid  55 and name  HD2 )  3.0  1.2  0.3 ! A.65   at 4.59e+06
assign (resid  54 and name   HA ) (resid  55 and name  HG1 )  4.0  2.2  1.0 ! A.450  at -4.59e+05
assign (resid  54 and name   HA ) (resid  55 and name  HG2 )  4.0  2.2  1.0 ! A.449  at -2.78e+05
assign (resid  54 and name   HA ) (resid  55 and name   HA )  4.0  2.2  1.0 ! A.454  at -3.11e+05
assign (resid  54 and name  HB1 ) (resid  55 and name  HD2 )  3.0  1.2  0.3 ! A.1295 at 1.04e+06
assign (resid  54 and name HD2# ) (resid  55 and name  HD2 )  3.0  1.2  0.8 ! A.1297 at -1.31e+06
assign (resid  54 and name HD1# ) (resid  55 and name  HD2 )  4.0  2.2  1.5 ! A.1298 at -4.63e+05
assign (resid  54 and name  HB1 ) (resid  55 and name  HD1 )  3.0  1.2  0.3 ! A.1309 at 1.21e+06
assign (resid  54 and name   HA ) (resid  55 and name  HD1 )  3.0  1.2  0.3 ! A.1301 at 2.82e+06
assign (resid  54 and name HD1# ) (resid  55 and name  HD1 )  4.0  2.2  1.5 ! A.1306 at -4.94e+05
assign (resid  54 and name HD2# ) (resid  55 and name  HD1 )  3.0  1.2  0.8 ! A.1305 at -1.40e+06
assign (resid  54 and name   HG ) (resid  55 and name  HD2 )  4.0  2.2  1.0 ! A.2105 at -3.60e+05
assign (resid  54 and name HD2# ) (resid  55 and name  HG1 )  4.0  2.2  2.5 ! A.2244 at 2.26e+05
assign (resid  54 and name  HB2 ) (resid  55 and name  HD1 )  4.0  2.2  1.0 ! A.2221 at 9.56e+05
assign (resid  54 and name HD2# ) (resid  55 and name   HA )  4.0  2.2  2.5 ! A.465  at 1.85e+05
assign (resid  54 and name  HB1 ) (resid  55 and name   HA )  4.0  2.2  2.0 ! A.464  at -1.84e+05
assign (resid  54 and name   HA ) (resid  55 and name  HB1 )  4.0  2.2  2.0 ! A.3011 at 1.46e+05
assign (resid  54 and name   HA ) (resid  55 and name  HB2 )  4.0  2.2  2.0 ! A.2238 at 2.72e+05 
assign (resid  54 and name HD2# ) (resid  58 and name   HA )  4.0  2.2  2.5 ! A.2275 at -2.11e+05
assign (resid  54 and name   HA ) (resid  58 and name  HB# )  4.0  2.2  1.5 ! A.451  at -6.75e+05
assign (resid  54 and name   HG ) (resid  58 and name  HB# )  4.0  2.2  1.5 ! A.2177 at 3.90e+05
assign (resid  54 and name HD1# ) (resid  58 and name  HB# )  3.0  1.2  1.3 ! A.2197 at 2.34e+06
assign (resid  54 and name  HB1 ) (resid  58 and name  HB# )  3.0  1.2  0.8 ! A.2213 at -1.33e+06
assign (resid  54 and name  HB2 ) (resid  58 and name  HB# )  3.0  1.2  0.8 ! A.2222 at -1.29e+06
assign (resid  54 and name HD2# ) (resid  58 and name  HB# )  3.0  1.2  1.3 ! A.2132 at 2.38e+06
assign (resid  54 and name HD1# ) (resid  59 and name   HA )  4.0  2.2  2.5 ! A.498  at 1.63e+05
assign (resid  54 and name HD1# ) (resid  61 and name   HB )  3.0  1.2  0.8 ! A.2196 at -2.04e+06
assign (resid  54 and name HD1# ) (resid  61 and name   HA )  4.0  2.2  1.5 ! A.2189 at 7.91e+05
assign (resid  54 and name HD2# ) (resid  61 and name   HA )  4.0  2.2  1.5 ! A.2182 at 4.25e+05
assign (resid  54 and name   HG ) (resid  61 and name HG1# )  4.0  2.2  2.5 ! A.2328 at 2.30e+05
assign (resid  54 and name HD1# ) (resid  61 and name HG1# )  3.0  1.2  1.3 ! A.2330 at 2.28e+06
assign (resid  54 and name HD2# ) (resid  61 and name   HB )  4.0  2.2  1.5 ! A.2341 at -6.24e+05
assign (resid  54 and name HD2# ) (resid  76 and name HG1# )  4.0  2.2  2.0 ! A.912  at 3.14e+05

! P55
assign (resid  55 and name  HB2 ) (resid  55 and name  HD1 )  4.0  2.2  1.0 ! A.1304 at 4.02e+05
assign (resid  55 and name  HB1 ) (resid  55 and name  HD2 )  4.0  2.2  1.0 ! A.1290 at 6.50e+05
assign (resid  55 and name   HA ) (resid  55 and name  HD2 )  4.0  2.2  1.0 ! A.1292 at -4.12e+05
assign (resid  55 and name  HB2 ) (resid  55 and name  HD2 )  4.0  2.2  1.0 ! A.1291 at 5.22e+05
assign (resid  55 and name  HB1 ) (resid  55 and name  HD1 )  4.0  2.2  1.0 ! A.1303 at 4.59e+05
assign (resid  55 and name   HA ) (resid  55 and name  HD1 )  4.0  2.2  1.0 ! A.1300 at -2.81e+05
assign (resid  55 and name   HA ) (resid  55 and name  HG1 )  4.0  2.2  1.0 ! A.2241 at 5.54e+05
assign (resid  55 and name   HA ) (resid  55 and name  HG2 )  4.0  2.2  1.0 ! A.2251 at 3.97e+05
assign (resid  55 and name   HA ) (resid  56 and name   HA )  4.0  2.2  1.0 ! A.463  at 2.76e+05
assign (resid  55 and name  HB2 ) (resid  57 and name HG2# )  4.0  2.2  1.5 ! A.1131 at -2.75e+05
assign (resid  55 and name  HG2 ) (resid  58 and name   HA )  4.0  2.2  1.0 ! A.479  at -3.50e+05
assign (resid  55 and name  HD2 ) (resid  58 and name  HB# )  4.0  2.2  1.5 ! A.1296 at -8.84e+05
assign (resid  55 and name  HD1 ) (resid  58 and name  HB# )  3.0  1.2  0.8 ! A.1302 at -1.08e+06
assign (resid  55 and name  HG1 ) (resid  58 and name  HB# )  4.0  2.2  1.5 ! A.2245 at 5.15e+05
assign (resid  55 and name  HG2 ) (resid  58 and name  HB# )  4.0  2.2  1.5 ! A.2255 at 7.91e+05
assign (resid  55 and name  HB2 ) (resid  58 and name  HB# )  4.0  2.2  1.5 ! A.2236 at -3.36e+05

! S56
assign (resid  56 and name   HA ) (resid  58 and name  HB# )  4.0  2.2  2.5 ! A.1106 at 1.93e+05

! T57
assign (resid  57 and name   HA ) (resid  57 and name HG2# )  2.5  0.7  0.7 ! A.1129 at 6.53e+06
assign (resid  57 and name   HA ) (resid  58 and name   HA )  4.0  2.2  1.0 ! A.2276 at -6.34e+05
assign (resid  57 and name   HA ) (resid  58 and name  HB# )  4.0  2.2  2.5 ! A.1107 at 1.77e+05

! A58
assign (resid  58 and name   HA ) (resid  59 and name HG2# )  4.0  2.2  1.5 ! A.478  at -6.33e+05
assign (resid  58 and name  HB# ) (resid  59 and name   HB )  4.0  2.2  2.5 ! A.2277 at 1.98e+05
assign (resid  58 and name  HB# ) (resid  59 and name   HA )  4.0  2.2  1.5 ! A.1103 at 3.41e+05
assign (resid  58 and name   HA ) (resid  59 and name   HA )  4.0  2.2  2.0 ! A.493  at -3.39e+05
assign (resid  58 and name  HB# ) (resid  61 and name   HA )  4.0  2.2  1.5 ! A.515  at 2.79e+05

! T59
assign (resid  59 and name   HA ) (resid  59 and name HG2# )  2.5  0.7  0.7 ! A.1136 at 5.46e+06
assign (resid  59 and name   HB ) (resid  60 and name  HB2 )  4.0  2.2  2.0 ! A.1379 at 3.65e+05 
assign (resid  59 and name   HB ) (resid  60 and name  HB1 )  4.0  2.2  2.0 ! A.2288 at 2.28e+05
assign (resid  59 and name HG2# ) (resid  60 and name  HB1 )  4.0  2.2  1.5 ! A.2287 at 3.33e+05
assign (resid  59 and name   HA ) (resid  60 and name   HA )  4.0  2.2  1.0 ! A.492  at 3.22e+05
assign (resid  59 and name   HA ) (resid  88 and name HD1# )  4.0  2.2  2.5 ! A.497  at 2.13e+05

! S60
assign (resid  60 and name  HB2 ) (resid  61 and name HG1# )  4.0  2.2  2.5 ! A.2324 at 2.25e+05
assign (resid  60 and name   HA ) (resid  61 and name HG1# )  4.0  2.2  1.5 ! A.2320 at 4.18e+05
assign (resid  60 and name  HB2 ) (resid  61 and name   HA )  4.0  2.2  2.0 ! A.517  at 2.28e+05
assign (resid  60 and name  HB1 ) (resid  61 and name   HA )  4.0  2.2  2.0 ! A.2294 at 1.96e+05
assign (resid  60 and name   HA ) (resid  61 and name   HB )  4.0  2.2  2.0 ! A.508  at -2.21e+05
assign (resid  60 and name   HA ) (resid  61 and name HG2# )  4.0  2.2  1.5 ! A.507  at 3.00e+05

! V61
assign (resid  61 and name   HA ) (resid  61 and name HG2# )  2.5  0.7  0.7 ! A.2299 at 5.61e+06
assign (resid  61 and name   HA ) (resid  61 and name HG1# )  3.0  1.2  0.8 ! A.2319 at 2.11e+06
assign (resid  61 and name HG2# ) (resid  62 and name   HA )  4.0  2.2  1.5 ! A.2349 at -3.93e+05
assign (resid  61 and name HG1# ) (resid  62 and name   HA )  4.0  2.2  1.5 ! A.2345 at -5.06e+05
assign (resid  61 and name HG2# ) (resid  62 and name  HB1 )  4.0  2.2  1.5 ! A.2303 at -2.62e+05
assign (resid  61 and name HG1# ) (resid  62 and name  HB2 )  4.0  2.2  2.5 ! A.2366 at -1.84e+05
assign (resid  61 and name   HA ) (resid  62 and name  HB2 )  4.0  2.2  1.0 ! A.2295 at -3.49e+05
assign (resid  61 and name   HA ) (resid  62 and name   HA )  4.0  2.2  1.0 ! A.510  at -3.83e+05
assign (resid  61 and name   HA ) (resid  62 and name  HB1 )  4.0  2.2  1.0 ! A.2296 at -4.12e+05
assign (resid  61 and name HG1# ) (resid  62 and name  HB1 )  4.0  2.2  2.5 ! A.2357 at -1.67e+05
assign (resid  61 and name HG2# ) (resid  62 and name  HB2 )  4.0  2.2  1.5 ! A.2362 at -2.76e+05
assign (resid  61 and name HG1# ) (resid  63 and name HG12 )  3.0  1.2  0.8 ! A.2407 at 1.26e+06
assign (resid  61 and name HG1# ) (resid  63 and name HG11 )  3.0  1.2  0.8 ! A.2313 at 1.12e+06
assign (resid  61 and name HG2# ) (resid  63 and name HG11 )  4.0  2.2  1.5 ! A.2400 at 4.71e+05
assign (resid  61 and name HG2# ) (resid  63 and name HG2# )  4.0  2.2  2.0 ! A.2304 at 2.97e+05
assign (resid  61 and name HG2# ) (resid  63 and name HD1# )  4.0  2.2  2.0 ! A.2305 at 7.62e+05
assign (resid  61 and name HG2# ) (resid  63 and name   HA )  4.0  2.2  1.5 ! A.2302 at 3.37e+05
assign (resid  61 and name HG1# ) (resid  63 and name HD1# )  3.0  1.2  1.3 ! A.2311 at 2.76e+06
assign (resid  61 and name HG1# ) (resid  63 and name HG2# )  4.0  2.2  2.0 ! A.2310 at 2.62e+05
assign (resid  61 and name HG1# ) (resid  63 and name   HA )  4.0  2.2  1.5 ! A.520  at 2.94e+05
assign (resid  61 and name HG2# ) (resid  64 and name  HD2 )  4.0  2.2  2.5 ! A.1289 at -1.84e+05

! N62
assign (resid  62 and name   HA ) (resid  63 and name HD1# )  4.0  2.2  2.5 ! A.2351 at -2.00e+05
assign (resid  62 and name   HA ) (resid  63 and name HG12 )  4.0  2.2  1.0 ! A.2346 at -2.64e+05

! I63
assign (resid  63 and name   HA ) (resid  63 and name HG12 )  4.0  2.2  1.0 ! A.2403 at 7.02e+05
assign (resid  63 and name   HA ) (resid  63 and name HG11 )  4.0  2.2  1.0 ! A.2393 at 8.12e+05
assign (resid  63 and name HD1# ) (resid  63 and name   HA )  4.0  2.2  1.5 ! A.518  at 9.30e+05
assign (resid  63 and name HG2# ) (resid  63 and name   HA )  3.0  1.2  0.8 ! A.519  at 2.56e+06
assign (resid  63 and name HD1# ) (resid  63 and name   HB )  3.0  1.2  0.8 ! A.2377 at -2.23e+06
assign (resid  63 and name HD1# ) (resid  64 and name  HD1 )  4.0  2.2  1.5 ! A.1311 at -2.91e+05
assign (resid  63 and name HG11 ) (resid  64 and name  HD1 )  4.0  2.2  2.0 ! A.1313 at -2.05e+05
assign (resid  63 and name HG2# ) (resid  64 and name  HD1 )  4.0  2.2  1.5 ! A.1310 at -9.04e+05
assign (resid  63 and name   HA ) (resid  64 and name  HD1 )  3.0  1.2  0.3 ! A.1277 at -3.78e+06
assign (resid  63 and name HG11 ) (resid  64 and name  HD2 )  4.0  2.2  2.0 ! A.1283 at -2.30e+05
assign (resid  63 and name   HA ) (resid  64 and name  HD2 )  3.0  1.2  0.3 ! A.1279 at -3.64e+06
assign (resid  63 and name HG2# ) (resid  64 and name  HD2 )  3.0  1.2  0.8 ! A.1284 at -1.58e+06
assign (resid  63 and name   HB ) (resid  64 and name  HD2 )  4.0  2.2  1.0 ! A.1287 at 2.75e+05
assign (resid  63 and name HD1# ) (resid  64 and name  HD2 )  4.0  2.2  1.5 ! A.1285 at -2.76e+05
assign (resid  63 and name   HA ) (resid  64 and name  HG2 )  4.0  2.2  1.0 ! A.2423 at 4.23e+05
assign (resid  63 and name   HA ) (resid  64 and name  HG1 )  4.0  2.2  1.0 ! A.2429 at 2.76e+05
assign (resid  63 and name HG2# ) (resid  64 and name  HG2 )  4.0  2.2  2.5 ! A.2427 at 1.40e+05
assign (resid  63 and name   HA ) (resid  64 and name   HA )  4.0  2.2  1.0 ! A.529  at 2.65e+05
assign (resid  63 and name HG2# ) (resid  64 and name   HA )  4.0  2.2  1.5 ! A.534  at 2.85e+05
assign (resid  63 and name   HA ) (resid  64 and name  HB1 )  4.0  2.2  1.0 ! A.528  at -3.62e+05
assign (resid  63 and name   HA ) (resid  64 and name  HB2 )  4.0  2.2  2.0 ! A.2422 at -1.69e+05
assign (resid  63 and name HG2# ) (resid  64 and name  HB1 )  4.0  2.2  2.5 ! A.2420 at -2.28e+05
assign (resid  63 and name   HA ) (resid  66 and name HD1# )  4.0  2.2  2.5 ! A.2456 at 1.61e+05
assign (resid  63 and name HG2# ) (resid  66 and name HD1# )  3.0  1.2  1.3 ! A.841  at 2.47e+06
assign (resid  63 and name HD1# ) (resid  66 and name HD1# )  4.0  2.2  2.0 ! A.842  at 6.88e+05
assign (resid  63 and name   HB ) (resid  66 and name HD1# )  3.0  1.2  0.8 ! A.843  at -1.33e+06
assign (resid  63 and name HG2# ) (resid  66 and name  HB2 )  4.0  2.2  1.5 ! A.2476 at -3.69e+05
assign (resid  63 and name HD1# ) (resid  66 and name HD2# )  4.0  2.2  2.0 ! A.941  at 5.78e+05
assign (resid  63 and name HG2# ) (resid  66 and name HD2# )  2.5  0.7  1.2 ! A.940  at 5.17e+06
assign (resid  63 and name   HB ) (resid  66 and name HD2# )  4.0  2.2  1.5 ! A.942  at -5.07e+05
assign (resid  63 and name HG2# ) (resid  66 and name   HA )  4.0  2.2  1.5 ! A.927  at 3.27e+05
assign (resid  63 and name HG11 ) (resid  74 and name HG1# )  4.0  2.2  1.5 ! A.1274 at 3.02e+05
assign (resid  63 and name HD1# ) (resid  74 and name HG1# )  3.0  1.2  1.3 ! A.1564 at 2.99e+06
assign (resid  63 and name HD1# ) (resid  74 and name HG2# )  3.0  1.2  1.3 ! A.2677 at 2.51e+06
assign (resid  63 and name HG2# ) (resid  74 and name HG2# )  4.0  2.2  2.0 ! A.2678 at 4.48e+05
assign (resid  63 and name HD1# ) (resid  74 and name   HA )  4.0  2.2  2.5 ! A.639  at 2.18e+05
assign (resid  63 and name HD1# ) (resid  76 and name HG2# )  4.0  2.2  2.0 ! A.2389 at 3.68e+05

! P64
assign (resid  64 and name   HA ) (resid  64 and name  HD1 )  4.0  2.2  1.0 ! A.1278 at -6.20e+05
assign (resid  64 and name  HB1 ) (resid  64 and name  HD1 )  3.0  1.2  0.3 ! A.1312 at 1.22e+06
assign (resid  64 and name  HB1 ) (resid  64 and name  HD2 )  4.0  1.2  0.3 ! A.1286 at 1.31e+06 
assign (resid  64 and name   HA ) (resid  64 and name  HD2 )  4.0  2.2  1.0 ! A.1280 at -3.89e+05
assign (resid  64 and name   HA ) (resid  64 and name  HG2 )  4.0  2.2  1.0 ! A.1430 at 6.29e+05
assign (resid  64 and name   HA ) (resid  64 and name  HG1 )  4.0  2.2  1.0 ! A.1431 at 4.99e+05
assign (resid  64 and name   HA ) (resid  65 and name   HA )  4.0  2.2  1.0 ! A.539  at 2.60e+05
assign (resid  64 and name   HA ) (resid  65 and name  HB2 )  4.0  2.2  2.0 ! A.2411 at -2.03e+05
assign (resid  64 and name  HB2 ) (resid  65 and name  HB2 )  4.0  2.2  1.0 ! A.2421 at 2.65e+05
assign (resid  64 and name   HA ) (resid  66 and name   HG )  4.0  2.2  2.0 ! A.2530 at 1.71e+05
assign (resid  64 and name   HA ) (resid  66 and name HD1# )  4.0  2.2  2.5 ! A.533  at 2.13e+05

! D65

! L66
assign (resid  66 and name   HA ) (resid  66 and name   HG )  4.0  2.2  1.0 ! A.2461 at 6.59e+05
assign (resid  66 and name   HA ) (resid  66 and name HD1# )  4.0  2.2  1.5 ! A.865  at 8.60e+05
assign (resid  66 and name  HB1 ) (resid  66 and name HD1# )  3.0  1.2  0.8 ! A.845  at -4.97e+06
assign (resid  66 and name HD2# ) (resid  66 and name  HB2 )  3.0  1.2  0.8 ! A.2474 at -2.12e+06
assign (resid  66 and name   HA ) (resid  66 and name HD2# )  2.5  0.7  0.7 ! A.944  at 6.68e+06
assign (resid  66 and name  HB1 ) (resid  66 and name HD2# )  3.0  1.2  0.8 ! A.943  at -3.43e+06
assign (resid  66 and name   HA ) (resid  67 and name   HG )  4.0  2.2  1.0 ! A.2452 at 3.05e+05
assign (resid  66 and name   HA ) (resid  67 and name HD2# )  4.0  2.2  1.5 ! A.2451 at 2.82e+05
assign (resid  66 and name  HB1 ) (resid  68 and name   HA )  4.0  2.2  2.0 ! A.540  at -2.49e+05
assign (resid  66 and name HD1# ) (resid  70 and name  HB# )  4.0  2.2  2.5 ! A.844  at -2.36e+05
assign (resid  66 and name HD2# ) (resid  72 and name  HD# )  4.0  2.2  1.5 ! A.592  at -4.07e+05
assign (resid  66 and name HD1# ) (resid  72 and name  HD# )  4.0  2.2  1.5 ! A.593  at -2.89e+05
assign (resid  66 and name HD1# ) (resid  72 and name  HE# )  4.0  2.2  1.5 ! A.848  at -5.84e+05
assign (resid  66 and name HD2# ) (resid  72 and name  HB2 )  4.0  2.2  1.5 ! A.2629 at -2.61e+05
assign (resid  66 and name HD1# ) (resid  72 and name  HB2 )  4.0  2.2  2.5 ! A.1864 at -2.43e+05
assign (resid  66 and name  HB1 ) (resid  72 and name  HE# )  4.0  2.2  1.0 ! A.2471 at 6.43e+05
assign (resid  66 and name HD2# ) (resid  72 and name  HE# )  3.0  1.2  0.8 ! A.946  at -1.32e+06
assign (resid  66 and name   HA ) (resid  72 and name  HE# )  4.0  2.2  1.0 ! A.2445 at -2.94e+05
assign (resid  66 and name HD1# ) (resid  74 and name HG2# )  4.0  2.2  2.0 ! A.2453 at 2.96e+05
assign (resid  66 and name HD1# ) (resid  95 and name   HB )  4.0  2.2  1.5 ! A.1357 at 2.86e+05
assign (resid  66 and name HD1# ) (resid  95 and name HG2# )  3.0  1.2  1.3 ! A.846  at 2.76e+06
assign (resid  66 and name HD2# ) (resid  95 and name HG2# )  4.0  2.2  2.0 ! A.3004 at 6.52e+05
assign (resid  66 and name   HA ) (resid  95 and name HG2# )  4.0  2.2  1.5 ! A.2450 at 2.94e+05

! L67
assign (resid  67 and name   HG ) (resid  67 and name   HA )  4.0  2.2  1.0 ! A.1671 at -7.71e+05
assign (resid  67 and name HD1# ) (resid  67 and name   HA )  4.0  2.2  1.5 ! A.1675 at -4.54e+05
assign (resid  67 and name HD2# ) (resid  67 and name   HA )  3.0  1.2  0.8 ! A.1676 at -3.78e+06
assign (resid  67 and name  HB2 ) (resid  67 and name HD1# )  3.0  1.2  0.8 ! A.2467 at -1.97e+06
assign (resid  67 and name  HB1 ) (resid  67 and name HD1# )  3.0  1.2  0.8 ! A.2468 at -1.82e+06
assign (resid  67 and name  HB2 ) (resid  67 and name HD2# )  3.0  1.2  0.8 ! A.2499 at -1.50e+06
assign (resid  67 and name  HB1 ) (resid  67 and name HD2# )  3.0  1.2  0.8 ! A.2498 at -2.17e+06
assign (resid  67 and name   HA ) (resid  68 and name  HD1 )  3.0  1.2  0.3 ! A.69   at 4.29e+06
assign (resid  67 and name   HA ) (resid  68 and name  HG# )  4.0  2.2  1.0 ! A.1672 at -9.67e+05
assign (resid  67 and name   HA ) (resid  68 and name  HD2 )  3.0  1.2  0.3 ! A.68   at 3.93e+06
assign (resid  67 and name  HB1 ) (resid  68 and name  HD1 )  4.0  2.2  1.0 ! A.1318 at 4.88e+05
assign (resid  67 and name HD2# ) (resid  68 and name  HD1 )  3.0  1.2  0.8 ! A.1321 at -1.19e+06
assign (resid  67 and name  HB1 ) (resid  68 and name  HD2 )  4.0  2.2  1.0 ! A.1325 at 8.44e+05
assign (resid  67 and name HD2# ) (resid  68 and name  HD2 )  3.0  1.2  0.8 ! A.1323 at -1.35e+06
assign (resid  67 and name HD1# ) (resid  68 and name  HD2 )  4.0  2.2  1.5 ! A.1324 at -3.91e+05
assign (resid  67 and name HD1# ) (resid  68 and name  HD1 )  4.0  2.2  2.5 ! A.2463 at -2.41e+05
assign (resid  67 and name  HB2 ) (resid  68 and name  HD2 )  4.0  2.2  1.0 ! A.1326 at 3.96e+05
assign (resid  67 and name HD2# ) (resid  68 and name  HG# )  4.0  2.2  1.5 ! A.2257 at 4.52e+05
assign (resid  67 and name   HG ) (resid  68 and name  HD1 )  4.0  2.2  2.0 ! A.2492 at -2.33e+05
assign (resid  67 and name   HG ) (resid  68 and name  HD2 )  4.0  2.2  2.0 ! A.2493 at -1.82e+05
assign (resid  67 and name  HB1 ) (resid  68 and name  HG# )  4.0  2.2  2.0 ! A.2527 at -2.26e+05
assign (resid  67 and name   HA ) (resid  70 and name  HG# )  4.0  2.2  2.0 ! A.2488 at -2.25e+05
assign (resid  67 and name  HB2 ) (resid  70 and name  HG# )  3.0  1.2  0.3 ! A.2510 at -1.03e+06
assign (resid  67 and name HD1# ) (resid  70 and name  HD2 )  4.0  2.2  1.5 ! A.2464 at -4.48e+05
assign (resid  67 and name HD2# ) (resid  70 and name  HD1 )  4.0  2.2  1.5 ! A.2500 at -3.18e+05
assign (resid  67 and name  HB2 ) (resid  70 and name  HB# )  4.0  2.2  1.0 ! A.2517 at 2.76e+05
assign (resid  67 and name  HB2 ) (resid  70 and name  HD2 )  4.0  2.2  2.0 ! A.2518 at 2.22e+05
assign (resid  67 and name HD1# ) (resid  70 and name  HD1 )  4.0  2.2  1.5 ! A.1395 at -3.11e+05
assign (resid  67 and name  HB2 ) (resid  70 and name  HD1 )  4.0  2.2  2.0 ! A.1396 at 1.68e+05
assign (resid  67 and name  HB1 ) (resid  70 and name  HD1 )  4.0  2.2  2.0 ! A.1397 at 1.76e+05
assign (resid  67 and name  HB1 ) (resid  70 and name  HD2 )  4.0  2.2  2.0 ! A.1405 at 1.92e+05
assign (resid  67 and name  HB2 ) (resid  72 and name  HE# )  4.0  2.2  1.0 ! A.2505 at 2.78e+05
assign (resid  67 and name  HB1 ) (resid  72 and name  HE# )  4.0  2.2  1.0 ! A.619  at 2.69e+05
assign (resid  67 and name HD1# ) (resid  72 and name  HE# )  4.0  2.2  1.5 ! A.616  at -3.19e+05

! P68
assign (resid  68 and name  HD2 ) (resid  68 and name  HB1 )  4.0  2.2  1.0 ! A.2539 at -4.07e+05
assign (resid  68 and name  HD1 ) (resid  68 and name  HB1 )  4.0  2.2  1.0 ! A.2540 at -5.70e+05
assign (resid  68 and name  HD1 ) (resid  68 and name  HB2 )  4.0  2.2  1.0 ! A.2547 at -6.81e+05
assign (resid  68 and name  HD2 ) (resid  68 and name  HB2 )  4.0  2.2  1.0 ! A.2546 at -7.11e+05
assign (resid  68 and name   HA ) (resid  68 and name  HD2 )  4.0  2.2  1.0 ! A.1327 at -3.41e+05
assign (resid  68 and name   HA ) (resid  68 and name  HG# )  3.0  1.2  0.3 ! A.2247 at 1.44e+06
assign (resid  68 and name   HA ) (resid  69 and name  HA# )  4.0  2.2  1.0 ! A.542  at -2.67e+05
assign (resid  68 and name  HB1 ) (resid  95 and name   HB )  4.0  2.2  1.0 ! A.2538 at 4.26e+05
assign (resid  68 and name  HB2 ) (resid  95 and name   HB )  4.0  2.2  2.0 ! A.2550 at 2.07e+05
assign (resid  68 and name   HA ) (resid  95 and name   HB )  3.0  1.2  0.3 ! A.1352 at 3.50e+06
assign (resid  68 and name  HG# ) (resid  95 and name HG2# )  4.0  2.2  2.5 ! A.2256 at 2.24e+05
assign (resid  68 and name   HA ) (resid  95 and name HG2# )  4.0  2.2  1.5 ! A.3000 at 7.65e+05

! G69
assign (resid  69 and name  HA# ) (resid  70 and name   HA )  4.0  2.2  1.0 ! A.557  at 2.74e+05
assign (resid  69 and name  HA# ) (resid  70 and name  HD2 )  4.0  2.2  2.0 ! A.548  at 2.29e+05
assign (resid  69 and name  HA# ) (resid  70 and name  HG# )  4.0  2.2  2.0 ! A.544  at -2.48e+05
assign (resid  69 and name  HA# ) (resid  94 and name HG2# )  4.0  2.2  1.5 ! A.543  at -6.00e+05

! R70
assign (resid  70 and name  HD2 ) (resid  70 and name   HA )  2.5  0.7  0.2 ! A.553  at 5.01e+06
assign (resid  70 and name  HG# ) (resid  70 and name   HA )  3.0  1.2  0.3 ! A.555  at -1.97e+06
assign (resid  70 and name  HB# ) (resid  70 and name  HD1 )  3.0  1.2  0.3 ! A.1392 at 1.19e+06
assign (resid  70 and name   HA ) (resid  70 and name  HD1 )  3.0  1.2  0.3 ! A.1390 at 2.94e+06
assign (resid  70 and name  HB# ) (resid  70 and name  HD2 )  3.0  1.2  0.3 ! A.1401 at 1.09e+06
assign (resid  70 and name   HA ) (resid  71 and name   HA )  4.0  2.2  2.0 ! A.571  at -2.06e+05
assign (resid  70 and name   HA ) (resid  72 and name  HD# )  4.0  2.2  2.0 ! A.558  at 2.03e+05
assign (resid  70 and name   HA ) (resid  72 and name  HE# )  4.0  2.2  2.0 ! A.559  at 1.76e+05
assign (resid  70 and name  HB# ) (resid  72 and name  HD# )  4.0  2.2  1.0 ! A.597  at 2.89e+05
assign (resid  70 and name  HB# ) (resid  72 and name  HE# )  3.0  1.2  0.3 ! A.604  at 1.35e+06
assign (resid  70 and name  HD2 ) (resid  72 and name  HE# )  4.0  2.2  2.0 ! A.612  at 2.35e+05
assign (resid  70 and name  HG# ) (resid  72 and name  HE# )  4.0  2.2  1.0 ! A.617  at -9.61e+05
assign (resid  70 and name   HA ) (resid  94 and name HG2# )  4.0  2.2  2.5 ! A.2558 at -1.95e+05
assign (resid  70 and name   HA ) (resid  95 and name HG2# )  4.0  2.2  1.5 ! A.2571 at -2.87e+05
assign (resid  70 and name  HB# ) (resid  95 and name HG2# )  4.0  2.2  1.5 ! A.3002 at -5.38e+05

! K71
assign (resid  71 and name   HA ) (resid  71 and name  HD# )  4.0  2.2  1.0 ! A.2619 at 5.76e+05
assign (resid  71 and name  HB2 ) (resid  71 and name  HD# )  3.0  1.2  0.3 ! A.2624 at -2.03e+06
assign (resid  71 and name   HA ) (resid  71 and name  HG1 )  3.0  1.2  0.3 ! A.2601 at 1.10e+06
assign (resid  71 and name  HE# ) (resid  71 and name  HG1 )  4.0  2.2  1.0 ! A.2606 at -6.72e+05
assign (resid  71 and name   HA ) (resid  71 and name  HG2 )  4.0  2.2  1.0 ! A.2610 at 8.37e+05
assign (resid  71 and name  HE# ) (resid  71 and name  HG2 )  4.0  2.2  1.0 ! A.2614 at -7.64e+05
assign (resid  71 and name   HA ) (resid  71 and name  HE# )  4.0  2.2  2.0 ! A.2586 at -2.15e+05
assign (resid  71 and name  HE# ) (resid  71 and name  HB1 )  4.0  2.2  1.0 ! A.1544 at 4.95e+05
assign (resid  71 and name   HA ) (resid  72 and name  HE# )  4.0  2.2  2.0 ! A.609  at -1.92e+05
assign (resid  71 and name   HA ) (resid  72 and name  HD# )  4.0  2.2  1.0 ! A.566  at -2.73e+05
assign (resid  71 and name  HD# ) (resid  73 and name HD1# )  4.0  2.2  1.5 ! A.2626 at 2.79e+05
assign (resid  71 and name  HE# ) (resid  73 and name HD1# )  4.0  2.2  1.5 ! A.2589 at -6.82e+05
assign (resid  71 and name  HE# ) (resid  73 and name HG2# )  4.0  2.2  1.5 ! A.1471 at -3.83e+05
assign (resid  71 and name  HD# ) (resid  92 and name  HB2 )  4.0  2.2  1.0 ! A.2621 at 9.02e+05
assign (resid  71 and name  HG1 ) (resid  92 and name  HB2 )  4.0  2.2  1.0 ! A.2604 at 5.82e+05
assign (resid  71 and name  HG2 ) (resid  92 and name  HB2 )  4.0  2.2  1.0 ! A.2612 at 6.07e+05
assign (resid  71 and name  HG1 ) (resid  92 and name  HB1 )  4.0  2.2  2.0 ! A.2967 at 4.89e+05
assign (resid  71 and name  HG2 ) (resid  92 and name  HB1 )  4.0  2.2  1.0 ! A.2968 at 5.11e+05
assign (resid  71 and name  HD# ) (resid  92 and name  HB1 )  4.0  2.2  1.0 ! A.2969 at 5.45e+05
assign (resid  71 and name  HE# ) (resid  92 and name  HB1 )  3.0  1.2  0.3 ! A.2973 at -1.14e+06
assign (resid  71 and name  HE# ) (resid  92 and name  HB2 )  3.0  1.2  0.3 ! A.2862 at -1.11e+06
assign (resid  71 and name  HE# ) (resid  92 and name   HA )  4.0  2.2  1.0 ! A.1425 at -2.56e+05
assign (resid  71 and name  HD# ) (resid  94 and name HG2# )  4.0  2.2  1.5 ! A.2623 at 6.31e+05
assign (resid  71 and name  HD# ) (resid  94 and name   HA )  4.0  2.2  2.0 ! A.2622 at 2.16e+05
assign (resid  71 and name  HB2 ) (resid  94 and name   HB )  4.0  2.2  2.0 ! A.1372 at -2.20e+05
assign (resid  71 and name   HA ) (resid  94 and name   HB )  4.0  2.2  1.0 ! A.1370 at 7.93e+05
assign (resid  71 and name  HG1 ) (resid  94 and name   HA )  4.0  2.2  1.0 ! A.817  at 4.79e+05
assign (resid  71 and name  HG2 ) (resid  94 and name   HA )  4.0  2.2  2.0 ! A.2613 at 2.47e+05
assign (resid  71 and name   HA ) (resid  94 and name HG2# )  3.0  1.2  0.8 ! A.1119 at 1.89e+06
assign (resid  71 and name  HB2 ) (resid  94 and name HG2# )  3.0  1.2  0.8 ! A.1120 at -1.15e+06
assign (resid  71 and name  HE# ) (resid  94 and name HG2# )  3.0  1.2  0.8 ! A.1426 at -1.04e+06
assign (resid  71 and name  HE# ) (resid  94 and name   HB )  4.0  2.2  2.0 ! A.1424 at -2.41e+05
assign (resid  71 and name   HA ) (resid  94 and name   HA )  2.5  0.7  0.2 ! A.812  at 6.88e+06
assign (resid  71 and name  HE# ) (resid  94 and name   HA )  4.0  2.2  2.0 ! A.819  at -1.91e+05
assign (resid  71 and name  HB2 ) (resid  94 and name   HA )  4.0  2.2  1.0 ! A.814  at -5.93e+05
assign (resid  71 and name  HB1 ) (resid  94 and name   HA )  4.0  2.2  1.0 ! A.1538 at -3.11e+05

! Y72
assign (resid  72 and name  HB2 ) (resid  72 and name  HD# )  3.0  1.2  0.3 ! A.587  at 1.74e+06
assign (resid  72 and name   HA ) (resid  72 and name  HD# )  4.0  2.2  1.0 ! A.588  at -6.23e+05
assign (resid  72 and name  HE# ) (resid  72 and name  HB2 )  4.0  2.2  1.0 ! A.2632 at 6.68e+05
assign (resid  72 and name  HD# ) (resid  72 and name  HB1 )  3.0  1.2  0.3 ! A.1691 at 1.40e+06
assign (resid  72 and name  HE# ) (resid  72 and name   HA )  4.0  2.2  1.0 ! A.572  at -5.47e+05
assign (resid  72 and name   HA ) (resid  73 and name HG11 )  4.0  2.2  1.0 ! A.2659 at 4.22e+05
assign (resid  72 and name  HB2 ) (resid  73 and name   HA )  4.0  2.2  2.0 ! A.629  at -2.46e+05
assign (resid  72 and name   HA ) (resid  73 and name HG2# )  4.0  2.2  2.5 ! A.582  at 1.86e+05
assign (resid  72 and name   HA ) (resid  73 and name   HA )  4.0  2.2  2.0 ! A.585  at 2.26e+05
assign (resid  72 and name   HA ) (resid  73 and name   HB )  4.0  2.2  1.0 ! A.578  at -2.77e+05
assign (resid  72 and name   HA ) (resid  73 and name HD1# )  4.0  2.2  2.5 ! A.2628 at 2.48e+05
assign (resid  72 and name  HD# ) (resid  74 and name HG2# )  4.0  2.2  2.5 ! A.595  at -1.81e+05
assign (resid  72 and name   HA ) (resid  74 and name HG2# )  4.0  2.2  2.5 ! A.2671 at 2.00e+05
assign (resid  72 and name  HB2 ) (resid  92 and name   HA )  4.0  2.2  1.0 ! A.2954 at -4.11e+05
assign (resid  72 and name  HB2 ) (resid  93 and name  HB# )  4.0  2.2  1.0 ! A.2980 at -2.68e+05
assign (resid  72 and name  HD# ) (resid  95 and name HG2# )  3.0  1.2  0.8 ! A.591  at -1.02e+06
assign (resid  72 and name  HE# ) (resid  95 and name   HB )  4.0  2.2  2.0 ! A.1353 at -1.42e+05
assign (resid  72 and name  HD# ) (resid  95 and name   HB )  4.0  2.2  2.0 ! A.1354 at -1.44e+05
assign (resid  72 and name  HE# ) (resid  95 and name HG2# )  3.0  1.2  0.8 ! A.1157 at -1.62e+06

! I73
assign (resid  73 and name   HA ) (resid  73 and name HG12 )  4.0  2.2  1.0 ! A.2651 at 7.43e+05
assign (resid  73 and name   HA ) (resid  73 and name HG11 )  4.0  2.2  1.0 ! A.2658 at 9.04e+05
assign (resid  73 and name HD1# ) (resid  73 and name   HA )  3.0  1.2  0.8 ! A.626  at 1.71e+06
assign (resid  73 and name HG2# ) (resid  73 and name   HA )  3.0  1.2  0.8 ! A.625  at 3.94e+06
assign (resid  73 and name   HA ) (resid  74 and name HG2# )  4.0  2.2  1.5 ! A.1173 at 5.70e+05
assign (resid  73 and name   HB ) (resid  74 and name   HA )  4.0  2.2  2.0 ! A.642  at -1.81e+05
assign (resid  73 and name HG2# ) (resid  74 and name   HA )  4.0  2.2  1.5 ! A.635  at 4.43e+05
assign (resid  73 and name HG2# ) (resid  75 and name   HA )  4.0  2.2  2.5 ! A.26   at -1.65e+05
assign (resid  73 and name HG12 ) (resid  92 and name  HB1 )  4.0  2.2  1.0 ! A.2653 at 2.96e+05
assign (resid  73 and name HG11 ) (resid  92 and name  HB1 )  4.0  2.2  1.0 ! A.2662 at 4.08e+05
assign (resid  73 and name   HA ) (resid  92 and name  HB1 )  3.0  1.2  0.3 ! A.2974 at 1.11e+06
assign (resid  73 and name HD1# ) (resid  92 and name  HB1 )  4.0  2.2  1.5 ! A.2963 at 9.23e+05
assign (resid  73 and name HG2# ) (resid  92 and name  HB1 )  3.0  1.2  0.8 ! A.1469 at 1.22e+06
assign (resid  73 and name HG11 ) (resid  92 and name  HB2 )  4.0  2.2  1.0 ! A.2957 at 3.19e+05
assign (resid  73 and name   HA ) (resid  92 and name  HB2 )  3.0  1.2  0.3 ! A.1522 at 1.07e+06
assign (resid  73 and name HD1# ) (resid  92 and name  HB2 )  4.0  2.2  1.5 ! A.1530 at 8.94e+05
assign (resid  73 and name   HA ) (resid  92 and name   HA )  2.5  0.7  0.2 ! A.624  at 5.88e+06
assign (resid  73 and name HG2# ) (resid  92 and name   HA )  4.0  2.2  1.5 ! A.1466 at 8.16e+05
assign (resid  73 and name   HB ) (resid  92 and name   HA )  4.0  2.2  2.0 ! A.2955 at -2.52e+05
assign (resid  73 and name HD1# ) (resid  92 and name   HA )  4.0  2.2  1.5 ! A.803  at 5.83e+05
assign (resid  73 and name HG11 ) (resid  92 and name   HA )  4.0  2.2  1.0 ! A.804  at 2.75e+05

! V74
assign (resid  74 and name   HA ) (resid  74 and name HG1# )  3.0  1.2  0.8 ! A.1556 at 3.38e+06
assign (resid  74 and name   HA ) (resid  74 and name HG2# )  3.0  1.2  0.8 ! A.1172 at 3.82e+06
assign (resid  74 and name   HB ) (resid  75 and name   HA )  4.0  2.2  2.0 ! A.2684 at 1.54e+05
assign (resid  74 and name HG1# ) (resid  75 and name   HA )  4.0  2.2  1.5 ! A.24   at -5.84e+05
assign (resid  74 and name   HA ) (resid  75 and name   HA )  4.0  2.2  2.0 ! A.2666 at -1.67e+05
assign (resid  74 and name HG1# ) (resid  76 and name HG2# )  2.5  0.7  1.2 ! A.889  at 8.86e+06
assign (resid  74 and name   HA ) (resid  76 and name HG2# )  4.0  2.2  1.5 ! A.2665 at 3.35e+05
assign (resid  74 and name   HB ) (resid  91 and name   HB )  4.0  2.2  2.0 ! A.1389 at -1.70e+05
assign (resid  74 and name HG1# ) (resid  91 and name HG2# )  3.0  1.2  1.3 ! A.1563 at 2.19e+06
assign (resid  74 and name HG1# ) (resid  91 and name   HB )  4.0  2.2  2.5 ! A.2670 at 2.41e+05
assign (resid  74 and name HG2# ) (resid  91 and name HG2# )  3.0  1.2  1.3 ! A.2680 at 1.78e+06
assign (resid  74 and name   HA ) (resid  91 and name HG2# )  4.0  2.2  1.5 ! A.636  at 2.97e+05
assign (resid  74 and name   HB ) (resid  91 and name HG2# )  3.0  1.2  0.8 ! A.1143 at -3.40e+06
assign (resid  74 and name HG2# ) (resid  92 and name  HB1 )  4.0  2.2  2.5 ! A.2966 at 1.87e+05
assign (resid  74 and name HG2# ) (resid  92 and name   HA )  4.0  2.2  1.5 ! A.1174 at 5.75e+05
assign (resid  74 and name   HB ) (resid  92 and name   HA )  4.0  2.2  1.0 ! A.2956 at -2.97e+05
assign (resid  74 and name HG2# ) (resid  93 and name  HB# )  4.0  2.2  1.5 ! A.2983 at 6.86e+05

! N75
assign (resid  75 and name   HA ) (resid  76 and name HG2# )  4.0  2.2  1.5 ! A.28   at -3.72e+05
assign (resid  75 and name   HA ) (resid  77 and name  HE# )  4.0  2.2  2.0 ! A.643  at 2.16e+05
assign (resid  75 and name  HB2 ) (resid  77 and name  HE# )  3.0  1.2  0.3 ! A.2082 at 1.33e+06
assign (resid  75 and name  HB1 ) (resid  77 and name  HE# )  4.0  2.2  1.0 ! A.2686 at 9.28e+05
assign (resid  75 and name   HA ) (resid  87 and name HD2# )  4.0  2.2  1.5 ! A.25   at -2.69e+05
assign (resid  75 and name   HA ) (resid  87 and name HD1# )  3.0  1.2  0.8 ! A.23   at -1.64e+06
assign (resid  75 and name  HB1 ) (resid  87 and name HD2# )  4.0  2.2  2.5 ! A.1947 at -2.49e+05
assign (resid  75 and name  HB1 ) (resid  87 and name HD1# )  3.0  1.2  0.8 ! A.1000 at -2.52e+06
assign (resid  75 and name  HB2 ) (resid  87 and name HD1# )  3.0  1.2  0.8 ! A.1001 at -1.26e+06
assign (resid  75 and name   HA ) (resid  89 and name HD2# )  4.0  2.2  2.5 ! A.29   at -1.96e+05
assign (resid  75 and name   HA ) (resid  89 and name   HG )  4.0  2.2  2.0 ! A.30   at -2.43e+05
assign (resid  75 and name   HA ) (resid  90 and name   HA )  3.0  1.2  0.3 ! A.21   at -4.43e+06
assign (resid  75 and name   HA ) (resid  90 and name  HB# )  4.0  2.2  1.0 ! A.20   at -7.31e+05
assign (resid  75 and name  HB1 ) (resid  90 and name   HA )  4.0  2.2  1.0 ! A.2687 at -2.93e+05
assign (resid  75 and name   HA ) (resid  91 and name HG2# )  4.0  2.2  2.5 ! A.27   at -1.91e+05

! V76
assign (resid  76 and name   HA ) (resid  76 and name HG2# )  3.0  1.2  0.8 ! A.880  at 3.46e+06
assign (resid  76 and name HG1# ) (resid  76 and name   HA )  3.0  1.2  0.8 ! A.645  at 3.84e+06
assign (resid  76 and name   HA ) (resid  77 and name  HD# )  4.0  2.2  1.0 ! A.673  at -3.68e+05
assign (resid  76 and name   HA ) (resid  77 and name   HA )  4.0  2.2  1.0 ! A.667  at 3.24e+05
assign (resid  76 and name   HA ) (resid  77 and name  HE# )  4.0  2.2  2.0 ! A.650  at -1.56e+05
assign (resid  76 and name HG1# ) (resid  77 and name   HA )  4.0  2.2  1.5 ! A.900  at 3.71e+05
assign (resid  76 and name HG1# ) (resid  77 and name  HD# )  4.0  2.2  2.5 ! A.894  at -2.19e+05
assign (resid  76 and name HG1# ) (resid  78 and name   HA )  4.0  2.2  1.5 ! A.901  at 2.59e+05
assign (resid  76 and name   HA ) (resid  87 and name HD1# )  4.0  2.2  2.5 ! A.655  at 1.95e+05
assign (resid  76 and name HG1# ) (resid  87 and name HD1# )  4.0  2.2  2.0 ! A.918  at 2.81e+05
assign (resid  76 and name HG1# ) (resid  88 and name HG11 )  3.0  1.2  0.8 ! A.2207 at 1.08e+06
assign (resid  76 and name HG2# ) (resid  88 and name HG11 )  4.0  2.2  1.5 ! A.2208 at 4.69e+05
assign (resid  76 and name   HB ) (resid  88 and name HG11 )  4.0  2.2  1.0 ! A.2200 at -5.97e+05
assign (resid  76 and name   HB ) (resid  88 and name HG12 )  4.0  2.2  1.0 ! A.2930 at -8.24e+05
assign (resid  76 and name HG1# ) (resid  88 and name HG12 )  3.0  1.2  0.8 ! A.909  at 1.41e+06
assign (resid  76 and name HG2# ) (resid  88 and name HD1# )  4.0  2.2  2.0 ! A.888  at 4.16e+05
assign (resid  76 and name   HA ) (resid  88 and name HD1# )  4.0  2.2  2.5 ! A.653  at 1.74e+05
assign (resid  76 and name HG1# ) (resid  88 and name   HB )  4.0  2.2  1.5 ! A.2899 at -4.03e+05
assign (resid  76 and name HG1# ) (resid  88 and name HD1# )  3.0  1.2  1.3 ! A.913  at 2.86e+06
assign (resid  76 and name HG1# ) (resid  88 and name HG2# )  4.0  2.2  2.0 ! A.917  at 5.49e+05
assign (resid  76 and name   HB ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.1044 at -5.18e+05
assign (resid  76 and name HG2# ) (resid  89 and name   HG )  4.0  2.2  1.5 ! A.1920 at 4.40e+05
assign (resid  76 and name HG1# ) (resid  89 and name HD2# )  4.0  2.2  2.0 ! A.2927 at 5.55e+05
assign (resid  76 and name HG2# ) (resid  89 and name HD2# )  3.0  1.2  1.3 ! A.2926 at 3.04e+06
assign (resid  76 and name   HB ) (resid  89 and name  HB2 )  4.0  2.2  1.0 ! A.2935 at 7.99e+05
assign (resid  76 and name HG1# ) (resid  89 and name  HB2 )  4.0  2.2  1.5 ! A.2937 at -3.10e+05
assign (resid  76 and name HG2# ) (resid  89 and name  HB2 )  4.0  2.2  1.5 ! A.2938 at -7.97e+05
assign (resid  76 and name HG1# ) (resid  89 and name  HB1 )  4.0  2.2  1.5 ! A.2944 at -4.63e+05
assign (resid  76 and name HG2# ) (resid  89 and name  HB1 )  3.0  1.2  0.8 ! A.2943 at -1.16e+06
assign (resid  76 and name HG2# ) (resid  89 and name HD1# )  4.0  2.2  2.0 ! A.2135 at 9.81e+05
assign (resid  76 and name HG1# ) (resid  89 and name HD1# )  4.0  2.2  2.0 ! A.2136 at 3.89e+05
assign (resid  76 and name HG2# ) (resid  89 and name   HA )  4.0  2.2  1.5 ! A.780  at 3.09e+05
assign (resid  76 and name HG2# ) (resid  90 and name   HA )  4.0  2.2  1.5 ! A.879  at 2.65e+05
assign (resid  76 and name HG2# ) (resid  90 and name  HB# )  4.0  2.2  2.5 ! A.882  at 2.03e+05
assign (resid  76 and name HG2# ) (resid  91 and name HG2# )  4.0  2.2  2.0 ! A.1155 at 4.81e+05

! Y77
assign (resid  77 and name  HB2 ) (resid  77 and name  HD# )  3.0  1.2  0.3 ! A.675  at 1.92e+06
assign (resid  77 and name  HB1 ) (resid  77 and name  HD# )  3.0  1.2  0.3 ! A.676  at 1.75e+06
assign (resid  77 and name   HA ) (resid  77 and name  HD# )  3.0  1.2  0.3 ! A.670  at -1.18e+06
assign (resid  77 and name  HE# ) (resid  77 and name  HB2 )  4.0  2.2  1.0 ! A.2722 at 4.49e+05
assign (resid  77 and name  HE# ) (resid  77 and name  HB1 )  4.0  2.2  1.0 ! A.2737 at 3.18e+05
assign (resid  77 and name  HE# ) (resid  77 and name   HA )  4.0  2.2  1.0 ! A.656  at -3.64e+05
assign (resid  77 and name  HB1 ) (resid  78 and name   HA )  4.0  2.2  1.0 ! A.2739 at -3.06e+05
assign (resid  77 and name   HA ) (resid  78 and name  HG2 )  4.0  2.2  2.0 ! A.664  at -1.97e+05
assign (resid  77 and name  HB2 ) (resid  79 and name HD1# )  4.0  2.2  1.5 ! A.2731 at -4.12e+05
assign (resid  77 and name  HB2 ) (resid  79 and name HG12 )  4.0  2.2  2.0 ! A.2735 at -1.43e+05
assign (resid  77 and name  HB1 ) (resid  79 and name HD1# )  4.0  2.2  1.5 ! A.2740 at -3.15e+05
assign (resid  77 and name  HB2 ) (resid  85 and name  HB# )  4.0  2.2  1.0 ! A.2855 at -3.56e+05
assign (resid  77 and name  HB1 ) (resid  85 and name  HB# )  4.0  2.2  1.0 ! A.2854 at -5.05e+05
assign (resid  77 and name  HD# ) (resid  85 and name  HB# )  4.0  2.2  1.0 ! A.2850 at -6.59e+05
assign (resid  77 and name  HD# ) (resid  85 and name   HA )  4.0  2.2  2.0 ! A.2748 at -2.29e+05
assign (resid  77 and name  HB2 ) (resid  85 and name  HG1 )  4.0  2.2  1.0 ! A.2729 at 2.78e+05
assign (resid  77 and name  HB1 ) (resid  85 and name  HG1 )  4.0  2.2  1.0 ! A.2746 at 3.03e+05
assign (resid  77 and name  HB1 ) (resid  85 and name  HG2 )  4.0  2.2  1.0 ! A.2747 at 3.03e+05
assign (resid  77 and name   HA ) (resid  85 and name  HB# )  4.0  2.2  1.0 ! A.666  at 2.68e+05
assign (resid  77 and name  HB2 ) (resid  85 and name   HA )  4.0  2.2  2.0 ! A.742  at -1.60e+05
assign (resid  77 and name  HB1 ) (resid  85 and name   HA )  4.0  2.2  1.0 ! A.741  at -2.79e+05
assign (resid  77 and name  HD# ) (resid  86 and name   HA )  4.0  2.2  1.0 ! A.671  at -4.57e+05
assign (resid  77 and name  HE# ) (resid  86 and name   HA )  4.0  2.2  2.0 ! A.747  at -2.26e+05
assign (resid  77 and name   HA ) (resid  86 and name  HB2 )  4.0  2.2  2.0 ! A.2717 at 1.79e+05
assign (resid  77 and name  HD# ) (resid  87 and name  HB2 )  4.0  2.2  1.0 ! A.680  at 3.97e+05
assign (resid  77 and name  HD# ) (resid  87 and name   HA )  3.0  1.2  0.3 ! A.754  at -1.29e+06
assign (resid  77 and name  HD# ) (resid  87 and name HD1# )  4.0  2.2  1.5 ! A.677  at -7.65e+05
assign (resid  77 and name  HD# ) (resid  87 and name HD2# )  4.0  2.2  2.5 ! A.1210 at -2.26e+05
assign (resid  77 and name  HE# ) (resid  87 and name   HG )  4.0  2.2  1.0 ! A.2879 at -3.62e+05
assign (resid  77 and name  HE# ) (resid  87 and name HD2# )  4.0  2.2  1.5 ! A.1937 at -4.90e+05
assign (resid  77 and name   HA ) (resid  87 and name HD1# )  4.0  2.2  1.5 ! A.1004 at 9.34e+05
assign (resid  77 and name  HE# ) (resid  87 and name HD1# )  3.0  1.2  0.8 ! A.1007 at -1.64e+06
assign (resid  77 and name   HA ) (resid  87 and name  HB1 )  4.0  2.2  2.0 ! A.2882 at -2.46e+05
assign (resid  77 and name  HE# ) (resid  87 and name  HB1 )  4.0  2.2  1.0 ! A.2507 at 3.32e+05
assign (resid  77 and name   HA ) (resid  87 and name  HB2 )  4.0  2.2  1.0 ! A.2889 at -2.73e+05
assign (resid  77 and name  HE# ) (resid  87 and name  HB2 )  4.0  2.2  1.0 ! A.1900 at 6.49e+05
assign (resid  77 and name  HD# ) (resid  87 and name  HB1 )  4.0  2.2  2.0 ! A.2504 at 2.07e+05
assign (resid  77 and name  HB2 ) (resid  87 and name   HA )  4.0  2.2  2.0 ! A.2727 at -2.19e+05
assign (resid  77 and name  HE# ) (resid  87 and name   HA )  4.0  2.2  1.0 ! A.1188 at -5.23e+05
assign (resid  77 and name   HA ) (resid  87 and name   HA )  3.0  1.2  0.3 ! A.762  at 3.59e+06
assign (resid  77 and name  HB1 ) (resid  87 and name   HA )  4.0  2.2  1.0 ! A.763  at -3.03e+05
assign (resid  77 and name   HA ) (resid  88 and name HG11 )  4.0  2.2  1.0 ! A.665  at 3.90e+05
assign (resid  77 and name   HA ) (resid  88 and name HG2# )  4.0  2.2  1.5 ! A.1212 at 5.10e+05
assign (resid  77 and name   HA ) (resid  88 and name HG12 )  4.0  2.2  1.0 ! A.2720 at 4.99e+05
assign (resid  77 and name   HA ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.662  at 2.96e+05

! Q78
assign (resid  78 and name   HA ) (resid  78 and name  HG1 )  4.0  2.2  1.0 ! A.1876 at -7.19e+05
assign (resid  78 and name   HA ) (resid  78 and name  HG2 )  4.0  2.2  1.0 ! A.1839 at -5.23e+05
assign (resid  78 and name   HA ) (resid  79 and name HG11 )  4.0  2.2  2.0 ! A.2755 at 1.85e+05
assign (resid  78 and name   HA ) (resid  79 and name HD1# )  4.0  2.2  1.5 ! A.692  at 3.04e+05
assign (resid  78 and name   HA ) (resid  79 and name HG12 )  4.0  2.2  1.0 ! A.697  at 2.89e+05
assign (resid  78 and name  HG2 ) (resid  86 and name  HB1 )  4.0  2.2  1.0 ! A.2860 at -4.93e+05
assign (resid  78 and name  HG2 ) (resid  86 and name  HB2 )  4.0  2.2  1.0 ! A.2861 at -5.39e+05
assign (resid  78 and name  HG1 ) (resid  86 and name  HB1 )  4.0  2.2  1.0 ! A.2762 at -2.83e+05
assign (resid  78 and name  HG1 ) (resid  86 and name  HB2 )  4.0  2.2  1.0 ! A.2759 at -2.60e+05
assign (resid  78 and name  HB1 ) (resid  88 and name HG12 )  4.0  2.2  1.0 ! A.2772 at 3.21e+05
assign (resid  78 and name  HB1 ) (resid  88 and name HG2# )  3.0  1.2  0.8 ! A.2770 at 1.14e+06
assign (resid  78 and name  HB2 ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.2050 at 5.58e+05
assign (resid  78 and name  HB1 ) (resid  88 and name HD1# )  3.0  1.2  0.8 ! A.1043 at 1.09e+06
assign (resid  78 and name  HG2 ) (resid  88 and name HG2# )  3.0  1.2  0.8 ! A.1476 at -1.49e+06
assign (resid  78 and name   HA ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.2909 at 4.83e+05
assign (resid  78 and name  HG1 ) (resid  88 and name HG2# )  4.0  2.2  1.5 ! A.1881 at -4.55e+05
assign (resid  78 and name  HG2 ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.2766 at -3.05e+05
assign (resid  78 and name   HA ) (resid  88 and name HG2# )  4.0  2.2  1.5 ! A.690  at 2.96e+05

! I79
assign (resid  79 and name   HA ) (resid  79 and name HG11 )  4.0  2.2  1.0 ! A.2663 at 9.49e+05
assign (resid  79 and name   HA ) (resid  79 and name HG12 )  3.0  1.2  0.3 ! A.2796 at 1.14e+06
assign (resid  79 and name HG2# ) (resid  79 and name   HA )  3.0  1.2  0.8 ! A.699  at 4.51e+06
assign (resid  79 and name HD1# ) (resid  79 and name   HA )  3.0  1.2  0.8 ! A.700  at 2.66e+06
assign (resid  79 and name HD1# ) (resid  79 and name   HB )  3.0  1.2  0.8 ! A.2786 at -1.85e+06
assign (resid  79 and name HG2# ) (resid  80 and name  HB2 )  4.0  2.2  2.5 ! A.2814 at 1.57e+05
assign (resid  79 and name HG2# ) (resid  80 and name   HA )  4.0  2.2  1.5 ! A.711  at 4.25e+05
assign (resid  79 and name HG2# ) (resid  81 and name   HA )  4.0  2.2  1.5 ! A.2822 at 2.67e+05
assign (resid  79 and name HG2# ) (resid  83 and name  HA1 )  3.0  1.2  0.8 ! A.722  at -1.57e+06
assign (resid  79 and name HG2# ) (resid  83 and name  HA2 )  3.0  1.2  0.8 ! A.727  at -2.13e+06
assign (resid  79 and name HD1# ) (resid  83 and name  HA2 )  4.0  2.2  2.5 ! A.1347 at -2.00e+05
assign (resid  79 and name HG2# ) (resid  84 and name  HB# )  4.0  2.2  1.5 ! A.837  at 2.55e+05
assign (resid  79 and name HG2# ) (resid  84 and name   HA )  4.0  2.2  1.5 ! A.729  at 2.76e+05
assign (resid  79 and name HG12 ) (resid  85 and name  HB# )  4.0  2.2  1.0 ! A.2856 at 2.64e+05
assign (resid  79 and name   HA ) (resid  85 and name  HB# )  4.0  2.2  1.0 ! A.2851 at 4.65e+05
assign (resid  79 and name HG2# ) (resid  85 and name  HB# )  4.0  2.2  1.5 ! A.2853 at 3.08e+05
assign (resid  79 and name HD1# ) (resid  85 and name  HB# )  4.0  2.2  1.5 ! A.2852 at 7.93e+05
assign (resid  79 and name HG11 ) (resid  85 and name   HA )  4.0  2.2  1.0 ! A.2803 at 3.22e+05
assign (resid  79 and name HG11 ) (resid  85 and name  HG2 )  4.0  2.2  1.0 ! A.2810 at -2.63e+05
assign (resid  79 and name HG12 ) (resid  85 and name   HA )  4.0  2.2  1.0 ! A.2798 at 3.83e+05
assign (resid  79 and name   HA ) (resid  85 and name   HA )  3.0  1.2  0.3 ! A.706  at 4.60e+06
assign (resid  79 and name   HA ) (resid  85 and name  HG2 )  4.0  2.2  1.0 ! A.701  at -4.92e+05
assign (resid  79 and name HG2# ) (resid  85 and name   HA )  4.0  2.2  1.5 ! A.827  at 6.42e+05
assign (resid  79 and name HG2# ) (resid  85 and name  HG1 )  4.0  2.2  1.5 ! A.835  at -2.90e+05
assign (resid  79 and name HG2# ) (resid  85 and name  HG2 )  4.0  2.2  1.5 ! A.834  at -6.33e+05
assign (resid  79 and name   HB ) (resid  85 and name   HA )  4.0  2.2  2.0 ! A.743  at -1.89e+05
assign (resid  79 and name HD1# ) (resid  85 and name   HA )  4.0  2.2  1.5 ! A.3013  at 9.07e+05
assign (resid  79 and name HG11 ) (resid  85 and name  HG1 )  4.0  2.2  1.0 ! A.2761 at -2.53e+05
assign (resid  79 and name HD1# ) (resid  85 and name  HG1 )  4.0  2.2  1.5 ! A.1799 at -5.39e+05
assign (resid  79 and name HD1# ) (resid  85 and name  HG2 )  4.0  2.2  1.5 ! A.1642 at -6.19e+05

! S80
assign (resid  80 and name  HB2 ) (resid  81 and name  HB# )  4.0  2.2  2.0 ! A.2828 at 1.98e+05
assign (resid  80 and name  HB2 ) (resid  81 and name  HG# )  4.0  2.2  2.0 ! A.2816 at -2.33e+05
assign (resid  80 and name   HA ) (resid  81 and name   HA )  4.0  2.2  1.0 ! A.718  at 3.27e+05
assign (resid  80 and name   HA ) (resid  81 and name  HG# )  4.0  2.2  1.0 ! A.712  at -3.82e+05
assign (resid  80 and name   HA ) (resid  81 and name  HB# )  4.0  2.2  1.0 ! A.2811 at 2.91e+05
assign (resid  80 and name  HB2 ) (resid  84 and name  HB# )  4.0  2.2  1.0 ! A.1452 at 5.32e+05
assign (resid  80 and name  HB1 ) (resid  84 and name  HB# )  3.0  1.2  0.3 ! A.2819 at 1.02e+06
assign (resid  80 and name  HB2 ) (resid  84 and name  HG2 )  4.0  2.2  2.0 ! A.2817 at -1.52e+05
assign (resid  80 and name  HB1 ) (resid  84 and name  HG1 )  4.0  2.2  2.0 ! A.2820 at -2.00e+05

! E81
assign (resid  81 and name  HG# ) (resid  81 and name   HA )  3.0  1.2  0.3 ! A.715  at -2.34e+06
assign (resid  81 and name  HB# ) (resid  82 and name  HB1 )  4.0  2.2  2.0 ! A.2836 at -1.88e+05

! D82
assign (resid  82 and name  HB2 ) (resid  84 and name  HB# )  4.0  2.2  1.0 ! A.2833 at -2.69e+05

! G83

! E84
assign (resid  84 and name   HA ) (resid  84 and name  HG2 )  3.0  1.2  0.3 ! A.2841 at -1.15e+06
assign (resid  84 and name   HA ) (resid  85 and name   HA )  4.0  2.2  1.0 ! A.730  at 3.20e+05
assign (resid  84 and name   HA ) (resid  85 and name  HG1 )  4.0  2.2  1.0 ! A.733  at -3.48e+05

! Q85
assign (resid  85 and name  HG2 ) (resid  85 and name   HA )  3.0  1.2  0.3 ! A.734  at -1.53e+06
assign (resid  85 and name   HA ) (resid  85 and name  HG1 )  4.0  2.2  1.0 ! A.2847 at -7.74e+05
assign (resid  85 and name  HB# ) (resid  86 and name   HA )  4.0  2.2  1.0 ! A.748  at 3.45e+05
assign (resid  85 and name   HA ) (resid  86 and name  HB2 )  4.0  2.2  2.0 ! A.745  at 1.89e+05
assign (resid  85 and name   HA ) (resid  86 and name   HA )  4.0  2.2  1.0 ! A.2846 at 2.87e+05

! S86
assign (resid  86 and name   HA ) (resid  87 and name  HB1 )  4.0  2.2  2.0 ! A.2883 at -1.89e+05
assign (resid  86 and name   HA ) (resid  87 and name  HB2 )  4.0  2.2  2.0 ! A.751  at -1.76e+05
assign (resid  86 and name  HB2 ) (resid  87 and name   HA )  4.0  2.2  2.0 ! A.765  at 2.43e+05
assign (resid  86 and name  HB1 ) (resid  88 and name HG2# )  4.0  2.2  1.5 ! A.2858 at 7.05e+05
assign (resid  86 and name  HB2 ) (resid  88 and name HG2# )  4.0  2.2  1.5 ! A.1516 at 9.31e+05
assign (resid  86 and name   HA ) (resid  88 and name HG2# )  4.0  2.2  1.5 ! A.752  at 2.87e+05

! L87
assign (resid  87 and name   HA ) (resid  87 and name   HG )  4.0  2.2  1.0 ! A.2194 at 6.25e+05
assign (resid  87 and name   HA ) (resid  87 and name HD2# )  4.0  2.2  1.5 ! A.2877 at 7.73e+05
assign (resid  87 and name  HB1 ) (resid  87 and name HD2# )  3.0  1.2  0.8 ! A.1946 at -3.32e+06
assign (resid  87 and name   HA ) (resid  87 and name HD1# )  3.0  1.2  0.8 ! A.994  at 4.41e+06
assign (resid  87 and name  HB2 ) (resid  87 and name HD1# )  3.0  1.2  0.8 ! A.997  at -2.64e+06
assign (resid  87 and name  HB1 ) (resid  87 and name HD1# )  3.0  1.2  0.8 ! A.999  at -1.59e+06
assign (resid  87 and name HD2# ) (resid  87 and name  HB2 )  3.0  1.2  0.8 ! A.1908 at -3.70e+06
assign (resid  87 and name HD2# ) (resid  88 and name   HA )  4.0  2.2  2.5 ! A.1953 at 1.99e+05
assign (resid  87 and name HD1# ) (resid  88 and name   HB )  4.0  2.2  2.5 ! A.2875 at -1.37e+05
assign (resid  87 and name HD1# ) (resid  88 and name HG2# )  4.0  2.2  2.0 ! A.998  at 2.80e+05
assign (resid  87 and name   HA ) (resid  88 and name   HA )  4.0  2.2  1.0 ! A.773  at 2.76e+05
assign (resid  87 and name HD1# ) (resid  88 and name   HA )  4.0  2.2  2.5 ! A.767  at 2.36e+05
assign (resid  87 and name   HA ) (resid  88 and name HG2# )  4.0  2.2  2.5 ! A.761  at 2.46e+05
assign (resid  87 and name HD2# ) (resid  89 and name   HA )  4.0  2.2  2.5 ! A.2914 at 1.94e+05
assign (resid  87 and name HD1# ) (resid  89 and name   HA )  4.0  2.2  2.5 ! A.781  at 2.13e+05
assign (resid  87 and name   HG ) (resid  90 and name  HB# )  4.0  2.2  1.0 ! A.2193 at 3.74e+05
assign (resid  87 and name HD2# ) (resid  90 and name  HB# )  3.0  1.2  0.8 ! A.1936 at 3.12e+06
assign (resid  87 and name HD2# ) (resid  90 and name   HA )  4.0  2.2  1.5 ! A.1931 at 3.87e+05
assign (resid  87 and name HD1# ) (resid  90 and name  HB# )  3.0  1.2  0.8 ! A.1519 at 1.76e+06
assign (resid  87 and name HD1# ) (resid  90 and name   HA )  4.0  2.2  1.5 ! A.1005 at 8.07e+05

! I88
assign (resid  88 and name   HA ) (resid  88 and name HG11 )  4.0  2.2  1.0 ! A.2190 at 5.59e+05
assign (resid  88 and name HG2# ) (resid  88 and name   HA )  2.5  0.7  0.7 ! A.769  at 6.19e+06
assign (resid  88 and name HG12 ) (resid  88 and name   HA )  4.0  2.2  1.0 ! A.772  at 5.66e+05
assign (resid  88 and name HD1# ) (resid  88 and name   HA )  4.0  2.2  1.5 ! A.766  at 1.02e+06 
assign (resid  88 and name HD1# ) (resid  88 and name   HB )  3.0  1.2  0.8 ! A.2896 at -2.77e+06
assign (resid  88 and name HD1# ) (resid  89 and name  HB1 )  4.0  2.2  1.5 ! A.2945 at -2.66e+05
assign (resid  88 and name HD1# ) (resid  89 and name  HB2 )  4.0  2.2  1.5 ! A.1041 at -3.26e+05

! L89
assign (resid  89 and name   HA ) (resid  89 and name   HG )  3.0  1.2  0.3 ! A.1916 at 1.04e+06
assign (resid  89 and name   HA ) (resid  89 and name HD2# )  4.0  2.2  1.5 ! A.2916 at 6.09e+05
assign (resid  89 and name  HB1 ) (resid  89 and name HD2# )  3.0  1.2  0.8 ! A.2928 at -2.08e+06
assign (resid  89 and name   HA ) (resid  89 and name HD1# )  3.0  1.2  0.8 ! A.2117 at 4.62e+06
assign (resid  89 and name   HG ) (resid  90 and name   HA )  4.0  2.2  1.0 ! A.792  at 4.14e+05
assign (resid  89 and name HD2# ) (resid  90 and name   HA )  4.0  2.2  1.5 ! A.791  at 3.45e+05
assign (resid  89 and name HD1# ) (resid  90 and name   HA )  4.0  2.2  1.5 ! A.2124 at 4.57e+05
assign (resid  89 and name HD2# ) (resid  91 and name   HB )  3.0  1.2  0.8 ! A.1384 at 1.08e+06
assign (resid  89 and name HD1# ) (resid  91 and name   HB )  3.0  1.2  0.8 ! A.1385 at 1.84e+06
assign (resid  89 and name   HG ) (resid  91 and name   HB )  4.0  2.2  1.0 ! A.1383 at 6.37e+05
assign (resid  89 and name   HG ) (resid  91 and name HG2# )  4.0  2.2  1.5 ! A.1921 at 7.65e+05
assign (resid  89 and name HD2# ) (resid  91 and name HG2# )  3.0  1.2  1.3 ! A.2931 at 3.08e+06
assign (resid  89 and name HD1# ) (resid  91 and name   HA )  4.0  2.2  1.5 ! A.2123 at 2.94e+05
assign (resid  89 and name   HG ) (resid  91 and name   HA )  4.0  2.2  2.0 ! A.802  at 2.29e+05
assign (resid  89 and name HD2# ) (resid  91 and name   HA )  4.0  2.2  2.5 ! A.800  at 2.01e+05

! S90
assign (resid  90 and name   HA ) (resid  91 and name   HB )  4.0  2.2  1.0 ! A.1388 at 2.68e+05
assign (resid  90 and name  HB# ) (resid  91 and name   HA )  4.0  2.2  1.0 ! A.2867 at 3.11e+05

! T91
assign (resid  91 and name   HA ) (resid  91 and name HG2# )  3.0  1.2  0.8 ! A.1144 at 1.39e+06
assign (resid  91 and name HG2# ) (resid  92 and name   HA )  3.0  1.2  0.8 ! A.787  at 1.10e+06
assign (resid  91 and name HG2# ) (resid  92 and name  HB1 )  4.0  2.2  2.5 ! A.1148 at 2.47e+05
assign (resid  91 and name   HA ) (resid  92 and name  HB1 )  4.0  2.2  1.0 ! A.798  at 5.60e+05
assign (resid  91 and name   HA ) (resid  92 and name   HA )  4.0  2.2  1.0 ! A.487  at 5.45e+05
assign (resid  91 and name HG2# ) (resid  93 and name  HB# )  4.0  2.2  1.5 ! A.2982 at 3.43e+05
assign (resid  91 and name HG2# ) (resid  93 and name  HG2 )  4.0  2.2  1.5 ! A.1156 at -3.68e+05

! S92
assign (resid  92 and name  HB2 ) (resid  93 and name   HA )  4.0  2.2  1.0 ! A.811  at 2.68e+05
assign (resid  92 and name  HB2 ) (resid  94 and name HG2# )  4.0  2.2  2.5 ! A.1118 at 2.45e+05

! Q93
assign (resid  93 and name  HG2 ) (resid  93 and name   HA )  3.0  1.2  0.3 ! A.807  at -1.23e+06
assign (resid  93 and name   HA ) (resid  93 and name  HG1 )  4.0  2.2  1.0 ! A.2975 at -3.83e+05
assign (resid  93 and name   HA ) (resid  94 and name   HB )  4.0  2.2  1.0 ! A.1371 at 3.47e+05
assign (resid  93 and name   HA ) (resid  94 and name HG2# )  4.0  2.2  1.5 ! A.1115 at 4.47e+05
assign (resid  93 and name   HA ) (resid  94 and name   HA )  4.0  2.2  1.0 ! A.2993 at 3.08e+05

! T94
assign (resid  94 and name   HA ) (resid  94 and name HG2# )  3.0  1.2  0.8 ! A.1114 at 3.43e+06
assign (resid  94 and name   HA ) (resid  95 and name HG2# )  4.0  2.2  1.5 ! A.1161 at 3.30e+05
assign (resid  94 and name   HA ) (resid  95 and name   HA )  4.0  2.2  2.0 ! A.2994 at 2.49e+05

! T95
assign (resid  95 and name   HA ) (resid  95 and name HG2# )  3.0  1.2  0.8 ! A.1160 at 4.10e+06


!@ END_XPLR_NOE_FILE
!
! G1

! P2

! L3

! G4
assign (resid   4 and name   HN ) (resid   6 and name  HD2 )  4.0  2.2  1.0 ! A.1238 at 7.11e+06

! S5

! H6

! L7
assign (resid   7 and name  HB2 ) (resid   7 and name   HN )  4.0  2.2  2.0 ! A.1136 at 3.62e+06
assign (resid   7 and name  HB2 ) (resid   8 and name   HN )  4.0  2.2  1.0 ! A.886  at 8.83e+06
assign (resid   7 and name   HA ) (resid   8 and name   HN )  3.0  1.2  0.5 ! A.318  at 6.00e+07
assign (resid   7 and name   HG ) (resid   8 and name   HN )  4.0  2.2  2.0 ! A.887  at 2.71e+06

! V8
assign (resid   8 and name   HB ) (resid   8 and name   HN )  4.0  2.2  1.0 ! A.888  at 1.92e+07
assign (resid   8 and name HG2# ) (resid   8 and name   HN )  4.0  2.2  1.5 ! A.885  at 1.96e+07
assign (resid   8 and name   HA ) (resid   9 and name   HN )  4.0  2.2  1.0 ! A.190  at -1.78e+07
assign (resid   8 and name HG2# ) (resid   9 and name   HN )  4.0  2.2  2.5 ! A.462  at -3.63e+06
assign (resid   8 and name   HB ) (resid   9 and name   HN )  4.0  2.2  2.0 ! A.1219 at -2.43e+06

! A9
assign (resid   9 and name  HB# ) (resid   9 and name   HN )  4.0  2.2  1.5 ! A.461  at -1.16e+07
assign (resid   9 and name   HA ) (resid  10 and name   HN )  4.0  2.2  1.0 ! A.633  at 8.75e+06

! T10

! S11

! E12
assign (resid  12 and name  HB2 ) (resid  12 and name   HN )  4.0  2.2  2.0 ! A.1055 at 3.77e+06
assign (resid  12 and name  HB1 ) (resid  15 and name   HN )  4.0  2.2  2.0 ! A.745  at 3.81e+06

! S13
assign (resid  13 and name  HB# ) (resid  13 and name   HN )  4.0  2.2  2.0 ! A.679  at 4.49e+06
assign (resid  13 and name   HA ) (resid  14 and name   HN )  3.0  1.2  0.5 ! A.346  at 4.12e+07
assign (resid  13 and name  HB# ) (resid  14 and name   HN )  4.0  2.2  1.0 ! A.345  at 7.75e+06

! V14
assign (resid  14 and name HG2# ) (resid  14 and name   HN )  4.0  2.2  1.5 ! A.912  at 1.89e+07
assign (resid  14 and name   HB ) (resid  14 and name   HN )  4.0  2.2  1.0 ! A.913  at 1.97e+07
assign (resid  14 and name   HA ) (resid  15 and name   HN )  3.0  1.2  0.5 ! A.269  at 3.85e+07
assign (resid  14 and name HG1# ) (resid  15 and name   HN )  4.0  2.2  1.5 ! A.743  at 8.75e+06
assign (resid  14 and name HG1# ) (resid  93 and name HE21 )  4.0  2.2  1.5 ! A.1424 at 9.66e+06
assign (resid  14 and name HG1# ) (resid  93 and name HE22 )  4.0  2.2  1.5 ! A.1427 at 5.71e+06

! T15
assign (resid  15 and name HG2# ) (resid  15 and name   HN )  4.0  2.2  1.5 ! A.744  at 7.09e+06
assign (resid  15 and name   HB ) (resid  15 and name   HN )  4.0  2.2  1.0 ! A.270  at 9.13e+06
assign (resid  15 and name HG2# ) (resid  16 and name   HN )  4.0  2.2  1.5 ! A.1069 at 8.92e+06
assign (resid  15 and name   HB ) (resid  16 and name   HN )  4.0  2.2  1.0 ! A.368  at 1.95e+07

! E16
assign (resid  16 and name  HG# ) (resid  16 and name   HN )  4.0  2.2  1.0 ! A.1066 at 7.69e+06
assign (resid  16 and name  HB1 ) (resid  16 and name   HN )  4.0  2.2  1.0 ! A.1068 at 9.18e+06
assign (resid  16 and name  HB2 ) (resid  16 and name   HN )  4.0  2.2  1.0 ! A.1067 at 1.61e+07
assign (resid  16 and name   HN ) (resid  17 and name   HN )  4.0  2.2  1.0 ! A.1221 at 1.16e+07
assign (resid  16 and name  HG# ) (resid  17 and name   HN )  4.0  2.2  1.0 ! A.1042 at 5.55e+06
assign (resid  16 and name  HB1 ) (resid  17 and name   HN )  4.0  2.2  1.0 ! A.1041 at 1.24e+07
assign (resid  16 and name  HB2 ) (resid  62 and name HD21 )  4.0  2.2  1.0 ! A.1436 at 5.96e+06
assign (resid  16 and name  HB2 ) (resid  62 and name HD22 )  4.0  2.2  1.0 ! A.1437 at 7.04e+06

! I17
assign (resid  17 and name   HB ) (resid  17 and name   HN )  3.0  1.2  0.5 ! A.1040 at 6.66e+07
assign (resid  17 and name HG12 ) (resid  17 and name   HN )  4.0  2.2  1.0 ! A.1039 at 2.80e+07
assign (resid  17 and name HG11 ) (resid  17 and name   HN )  4.0  2.2  1.0 ! A.1038 at 2.57e+07
assign (resid  17 and name HD1# ) (resid  17 and name   HN )  4.0  2.2  1.5 ! A.1037 at 1.85e+07
assign (resid  17 and name   HA ) (resid  18 and name   HN )  3.0  1.2  0.5 ! A.792  at 4.28e+07
assign (resid  17 and name   HB ) (resid  18 and name   HN )  4.0  2.2  2.0 ! A.1222 at 3.83e+06
assign (resid  17 and name HG2# ) (resid  18 and name   HN )  4.0  2.2  1.5 ! A.794  at 7.85e+06
assign (resid  17 and name HG12 ) (resid  18 and name   HN )  4.0  2.2  2.0 ! A.1223 at 2.75e+06
assign (resid  17 and name HG2# ) (resid  19 and name   HN )  4.0  2.2  2.5 ! A.519  at 4.35e+06
assign (resid  17 and name   HA ) (resid  20 and name   HN )  4.0  2.2  1.0 ! A.235  at 4.69e+06

! T18
assign (resid  18 and name HG2# ) (resid  18 and name   HN )  4.0  2.2  1.5 ! A.795  at 2.28e+07
assign (resid  18 and name HG2# ) (resid  19 and name   HN )  4.0  2.2  1.5 ! A.520  at 8.94e+06
assign (resid  18 and name   HB ) (resid  19 and name   HN )  4.0  2.2  1.0 ! A.398  at 2.21e+07
assign (resid  18 and name   HA ) (resid  19 and name   HN )  3.0  1.2  0.5 ! A.397  at 5.36e+07

! A19
assign (resid  19 and name  HB# ) (resid  19 and name   HN )  3.0  1.2  1.0 ! A.521  at 5.23e+07
assign (resid  19 and name   HN ) (resid  20 and name   HN )  4.0  2.2  1.0 ! A.1226 at 6.73e+06
assign (resid  19 and name   HA ) (resid  20 and name   HN )  3.0  1.2  0.5 ! A.234  at 4.25e+07
assign (resid  19 and name  HB# ) (resid  20 and name   HN )  4.0  2.2  1.5 ! A.672  at 1.65e+07
assign (resid  19 and name  HB# ) (resid  65 and name   HN )  4.0  2.2  1.5 ! A.630  at 2.05e+07
assign (resid  19 and name  HB# ) (resid  66 and name   HN )  4.0  2.2  1.5 ! A.1505 at 1.79e+07

! S20
assign (resid  20 and name  HB1 ) (resid  20 and name   HN )  4.0  2.2  1.0 ! A.233  at 1.43e+07
assign (resid  20 and name   HN ) (resid  21 and name   HN )  4.0  2.2  1.0 ! A.673  at 7.67e+06
assign (resid  20 and name   HA ) (resid  21 and name   HN )  3.0  1.2  0.5 ! A.1230 at 6.36e+07
assign (resid  20 and name   HN ) (resid  95 and name HG2# )  4.0  2.2  2.5 ! A.671  at 4.25e+06

! S21
assign (resid  21 and name  HB1 ) (resid  21 and name   HN )  3.0  1.2  0.5 ! A.231  at 3.49e+07
assign (resid  21 and name  HB2 ) (resid  22 and name   HN )  3.0  1.2  0.5 ! A.265  at 3.91e+07
assign (resid  21 and name   HN ) (resid  22 and name   HN )  4.0  2.2  1.0 ! A.669  at 7.66e+06
assign (resid  21 and name  HB2 ) (resid  62 and name HD22 )  4.0  2.2  1.0 ! A.175  at 1.19e+07
assign (resid  21 and name  HB2 ) (resid  62 and name HD21 )  4.0  2.2  1.0 ! A.174  at 7.12e+06
assign (resid  21 and name  HB2 ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.172  at -7.13e+06
assign (resid  21 and name   HA ) (resid  65 and name   HN )  4.0  2.2  1.0 ! A.1499 at 6.85e+06
assign (resid  21 and name  HB1 ) (resid  65 and name   HN )  4.0  2.2  1.0 ! A.212  at 1.86e+07
assign (resid  21 and name   HA ) (resid  66 and name   HN )  4.0  2.2  1.0 ! A.1506 at 9.46e+06
assign (resid  21 and name   HN ) (resid  66 and name  HB2 )  4.0  2.2  1.0 ! A.670  at 7.24e+06
assign (resid  21 and name   HN ) (resid  66 and name HD1# )  4.0  2.2  2.5 ! A.1229 at 3.98e+06
assign (resid  21 and name  HB1 ) (resid  66 and name   HN )  4.0  2.2  1.0 ! A.262  at 1.69e+07

! F22
assign (resid  22 and name  HD# ) (resid  22 and name   HN )  4.0  2.2  1.0 ! A.1231 at 1.05e+07
assign (resid  22 and name  HB1 ) (resid  22 and name   HN )  4.0  2.2  1.0 ! A.267  at 1.61e+07
assign (resid  22 and name  HB2 ) (resid  22 and name   HN )  4.0  2.2  1.0 ! A.266  at 1.67e+07
assign (resid  22 and name   HN ) (resid  23 and name   HN )  4.0  2.2  1.0 ! A.1043 at 8.78e+06
assign (resid  22 and name  HB2 ) (resid  23 and name   HN )  4.0  2.2  1.0 ! A.1048 at 2.90e+07
assign (resid  22 and name  HB1 ) (resid  23 and name   HN )  3.0  1.2  0.5 ! A.1049 at 5.52e+07
assign (resid  22 and name  HD# ) (resid  23 and name   HN )  4.0  2.2  1.0 ! A.1235 at 1.67e+07
assign (resid  22 and name   HA ) (resid  23 and name   HN )  2.5  0.7  0.4 ! A.40   at 1.61e+08
assign (resid  22 and name   HN ) (resid  23 and name HG2# )  4.0  2.2  1.5 ! A.763  at 4.81e+06
assign (resid  22 and name   HN ) (resid  62 and name   HA )  4.0  2.2  1.0 ! A.760  at 6.19e+06
assign (resid  22 and name   HN ) (resid  63 and name   HB )  4.0  2.2  1.0 ! A.761  at 1.83e+07
assign (resid  22 and name   HN ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.47   at 2.47e+07
assign (resid  22 and name   HN ) (resid  63 and name HG2# )  4.0  2.2  2.5 ! A.768  at 2.80e+06
assign (resid  22 and name  HB2 ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.469  at -6.30e+06
assign (resid  22 and name  HB1 ) (resid  63 and name   HN )  4.0  2.2  2.0 ! A.470  at -4.10e+06
assign (resid  22 and name  HD# ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.1494 at -9.25e+06
assign (resid  22 and name   HA ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.173  at -1.23e+07
assign (resid  22 and name   HN ) (resid  66 and name   HG )  4.0  2.2  2.0 ! A.762  at 3.71e+06
assign (resid  22 and name   HN ) (resid  66 and name HD1# )  4.0  2.2  1.5 ! A.1208 at 1.27e+07
assign (resid  22 and name  HE# ) (resid  72 and name   HN )  4.0  2.2  1.0 ! A.1530 at 5.06e+06
assign (resid  22 and name  HE# ) (resid  93 and name   HN )  4.0  2.2  1.0 ! A.1632 at 4.82e+06
assign (resid  22 and name  HE# ) (resid  95 and name   HN )  4.0  2.2  2.0 ! A.1579 at 3.11e+06

! V23
assign (resid  23 and name HG2# ) (resid  23 and name   HN )  3.0  1.2  1.0 ! A.1052 at 5.22e+07
assign (resid  23 and name HG1# ) (resid  23 and name   HN )  4.0  2.2  1.5 ! A.1051 at 2.03e+07
assign (resid  23 and name   HB ) (resid  23 and name   HN )  3.0  1.2  0.5 ! A.1050 at 9.17e+07
assign (resid  23 and name   HB ) (resid  24 and name   HN )  4.0  2.2  1.0 ! A.511  at 1.44e+07
assign (resid  23 and name   HA ) (resid  24 and name   HN )  2.5  0.7  0.4 ! A.41   at 2.39e+08
assign (resid  23 and name HG1# ) (resid  24 and name   HN )  3.0  1.2  1.0 ! A.505  at 5.87e+07
assign (resid  23 and name HG2# ) (resid  24 and name   HN )  4.0  2.2  1.5 ! A.508  at 2.69e+07
assign (resid  23 and name   HN ) (resid  24 and name HG2# )  4.0  2.2  1.5 ! A.1053 at 6.63e+06
assign (resid  23 and name   HN ) (resid  24 and name   HB )  4.0  2.2  2.0 ! A.1233 at 4.25e+06
assign (resid  23 and name HG1# ) (resid  25 and name   HN )  4.0  2.2  1.5 ! A.814  at 7.27e+06
assign (resid  23 and name HG1# ) (resid  61 and name   HN )  3.0  1.2  1.0 ! A.702  at 3.70e+07
assign (resid  23 and name   HA ) (resid  61 and name   HN )  4.0  2.2  1.0 ! A.1484 at 1.68e+07
assign (resid  23 and name HG2# ) (resid  62 and name   HN )  4.0  2.2  1.5 ! A.529  at 7.77e+06
assign (resid  23 and name HG1# ) (resid  62 and name   HN )  4.0  2.2  2.5 ! A.530  at 3.66e+06
assign (resid  23 and name   HN ) (resid  62 and name   HA )  4.0  2.2  2.0 ! A.1047 at 4.56e+06
assign (resid  23 and name HG2# ) (resid  62 and name HD22 )  4.0  2.2  1.5 ! A.1434 at 1.17e+07
assign (resid  23 and name HG2# ) (resid  62 and name HD21 )  4.0  2.2  1.5 ! A.1433 at 1.12e+07
assign (resid  23 and name   HN ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.1044 at 5.55e+06
assign (resid  23 and name HG2# ) (resid  63 and name   HN )  4.0  2.2  1.5 ! A.473  at -1.39e+07
assign (resid  23 and name   HA ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.57   at -2.59e+07

! V24
assign (resid  24 and name   HB ) (resid  24 and name   HN )  3.0  1.2  0.5 ! A.512  at 4.59e+07
assign (resid  24 and name HG2# ) (resid  24 and name   HN )  3.0  1.2  1.0 ! A.509  at 5.52e+07
assign (resid  24 and name   HB ) (resid  25 and name   HN )  4.0  2.2  1.0 ! A.816  at 1.54e+07
assign (resid  24 and name   HA ) (resid  25 and name   HN )  2.5  0.7  0.4 ! A.1243 at 2.29e+08
assign (resid  24 and name HG1# ) (resid  25 and name   HN )  3.0  1.2  1.0 ! A.815  at 5.92e+07
assign (resid  24 and name   HN ) (resid  26 and name  HZ3 )  4.0  2.2  2.0 ! A.518  at 4.55e+06
assign (resid  24 and name   HN ) (resid  60 and name  HB2 )  4.0  2.2  2.0 ! A.1237 at 4.34e+06
assign (resid  24 and name   HN ) (resid  61 and name   HB )  4.0  2.2  2.0 ! A.513  at 2.71e+06
assign (resid  24 and name   HN ) (resid  61 and name   HN )  3.0  1.2  0.5 ! A.49   at 5.13e+07
assign (resid  24 and name   HB ) (resid  61 and name   HN )  4.0  2.2  1.0 ! A.700  at 1.23e+07
assign (resid  24 and name   HN ) (resid  62 and name   HA )  4.0  2.2  1.0 ! A.58   at 2.83e+07
assign (resid  24 and name   HN ) (resid  63 and name HG12 )  4.0  2.2  1.0 ! A.510  at 4.75e+06
assign (resid  24 and name   HN ) (resid  63 and name HD1# )  4.0  2.2  2.5 ! A.506  at 4.24e+06
assign (resid  24 and name   HN ) (resid  63 and name HG11 )  4.0  2.2  2.0 ! A.507  at 3.99e+06
assign (resid  24 and name   HN ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.1495 at -1.05e+07

! S25
assign (resid  25 and name  HB# ) (resid  25 and name   HN )  3.0  1.2  0.5 ! A.285  at 4.98e+07
assign (resid  25 and name   HN ) (resid  26 and name  HE3 )  4.0  2.2  1.0 ! A.1241 at 1.17e+07
assign (resid  25 and name   HN ) (resid  26 and name   HN )  4.0  2.2  1.0 ! A.809  at 1.42e+07
assign (resid  25 and name   HN ) (resid  26 and name  HZ3 )  4.0  2.2  2.0 ! A.1242 at 3.73e+06
assign (resid  25 and name  HB# ) (resid  26 and name   HN )  3.0  1.2  0.5 ! A.1251 at 9.62e+07
assign (resid  25 and name   HA ) (resid  26 and name   HN )  2.5  0.7  0.4 ! A.43   at 2.22e+08
assign (resid  25 and name   HN ) (resid  60 and name   HA )  4.0  2.2  1.0 ! A.1245 at 6.13e+07
assign (resid  25 and name   HN ) (resid  60 and name  HB2 )  4.0  2.2  2.0 ! A.813  at 3.45e+06
assign (resid  25 and name   HA ) (resid  60 and name   HN )  4.0  2.2  1.0 ! A.558  at 8.50e+06
assign (resid  25 and name   HA ) (resid  61 and name   HN )  4.0  2.2  1.0 ! A.59   at 2.67e+07

! W26
assign (resid  26 and name  HB2 ) (resid  26 and name   HN )  4.0  2.2  1.0 ! A.855  at 1.43e+07
assign (resid  26 and name  HE3 ) (resid  26 and name   HN )  3.0  1.2  0.5 ! A.1247 at 3.55e+07
assign (resid  26 and name  HB1 ) (resid  26 and name   HN )  4.0  2.2  1.0 ! A.856  at 2.15e+07
assign (resid  26 and name  HD1 ) (resid  26 and name   HN )  4.0  2.2  1.0 ! A.1248 at 8.56e+06
assign (resid  26 and name   HN ) (resid  27 and name   HN )  4.0  2.2  1.0 ! A.1259 at 8.86e+06
assign (resid  26 and name   HA ) (resid  27 and name   HN )  2.5  0.7  0.4 ! A.44   at 1.58e+08
assign (resid  26 and name  HB2 ) (resid  27 and name   HN )  3.0  1.2  0.5 ! A.684  at 1.04e+08
assign (resid  26 and name  HB1 ) (resid  27 and name   HN )  3.0  1.2  0.5 ! A.685  at 5.73e+07
assign (resid  26 and name  HD1 ) (resid  27 and name   HN )  4.0  2.2  1.0 ! A.686  at 1.67e+07
assign (resid  26 and name  HE3 ) (resid  27 and name   HN )  4.0  2.2  2.0 ! A.687  at 5.77e+06
assign (resid  26 and name  HE1 ) (resid  28 and name  HB# )  4.0  2.2  1.0 ! A.456  at 1.17e+07
assign (resid  26 and name  HE1 ) (resid  28 and name   HN )  4.0  2.2  2.0 ! A.458  at 2.66e+06
assign (resid  26 and name  HD1 ) (resid  28 and name   HN )  4.0  2.2  1.0 ! A.783  at 1.28e+07
assign (resid  26 and name   HN ) (resid  28 and name   HN )  4.0  2.2  2.0 ! A.786  at 3.08e+06
assign (resid  26 and name  HE1 ) (resid  36 and name  HE# )  3.0  1.2  0.5 ! A.1194 at 1.03e+08
assign (resid  26 and name  HE1 ) (resid  36 and name  HD# )  4.0  2.2  1.0 ! A.1458 at 3.06e+07
assign (resid  26 and name  HE1 ) (resid  36 and name  HB2 )  4.0  2.2  1.0 ! A.452  at 4.86e+06
assign (resid  26 and name  HE1 ) (resid  36 and name  HB1 )  4.0  2.2  2.0 ! A.453  at 4.56e+06
assign (resid  26 and name  HE1 ) (resid  58 and name  HB# )  4.0  2.2  1.5 ! A.450  at 1.49e+07
assign (resid  26 and name  HZ2 ) (resid  58 and name   HN )  4.0  2.2  2.0 ! A.1472 at 4.47e+06
assign (resid  26 and name  HE1 ) (resid  58 and name   HN )  4.0  2.2  2.0 ! A.1473 at 3.21e+06
assign (resid  26 and name  HE1 ) (resid  59 and name   HN )  4.0  2.2  2.0 ! A.1193 at 3.93e+06
assign (resid  26 and name  HE1 ) (resid  59 and name   HB )  4.0  2.2  1.0 ! A.457  at 8.16e+06
assign (resid  26 and name  HE1 ) (resid  59 and name HG2# )  4.0  2.2  1.5 ! A.448  at 3.02e+07
assign (resid  26 and name  HE1 ) (resid  59 and name   HA )  3.0  1.2  0.5 ! A.416  at 8.80e+07
assign (resid  26 and name  HZ2 ) (resid  59 and name   HN )  4.0  2.2  2.0 ! A.1477 at -4.29e+06
assign (resid  26 and name   HN ) (resid  59 and name HG2# )  4.0  2.2  1.5 ! A.852  at 2.05e+07
assign (resid  26 and name   HN ) (resid  59 and name   HB )  4.0  2.2  1.0 ! A.279  at 2.20e+07
assign (resid  26 and name   HN ) (resid  60 and name  HB1 )  4.0  2.2  1.0 ! A.1253 at 1.42e+07
assign (resid  26 and name   HN ) (resid  60 and name   HA )  3.0  1.2  0.5 ! A.60   at 3.77e+07
assign (resid  26 and name   HN ) (resid  60 and name  HB2 )  4.0  2.2  1.0 ! A.1250 at 7.63e+06
assign (resid  26 and name   HN ) (resid  60 and name   HN )  4.0  2.2  1.0 ! A.1482 at 5.26e+06
assign (resid  26 and name  HH2 ) (resid  60 and name   HN )  4.0  2.2  1.0 ! A.1483 at 1.53e+07
assign (resid  26 and name  HZ2 ) (resid  60 and name   HN )  4.0  2.2  1.0 ! A.562  at 1.71e+07
assign (resid  26 and name  HH2 ) (resid  61 and name   HN )  4.0  2.2  1.0 ! A.1486 at 1.31e+07
assign (resid  26 and name  HZ3 ) (resid  61 and name   HN )  3.0  1.2  0.5 ! A.711  at 3.52e+07
assign (resid  26 and name  HE1 ) (resid  76 and name HG1# )  4.0  2.2  1.5 ! A.6    at 9.30e+06
assign (resid  26 and name  HE1 ) (resid  78 and name   HA )  4.0  2.2  2.0 ! A.455  at 3.85e+06
assign (resid  26 and name  HE1 ) (resid  78 and name  HB2 )  4.0  2.2  2.0 ! A.451  at 4.09e+06
assign (resid  26 and name  HE1 ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.447  at 1.87e+07
assign (resid  26 and name   HN ) (resid  88 and name HD1# )  4.0  2.2  2.5 ! A.854  at 3.72e+06

! V27
assign (resid  27 and name   HB ) (resid  27 and name   HN )  3.0  1.2  0.5 ! A.683  at 7.43e+07
assign (resid  27 and name  HG* ) (resid  27 and name   HN )  3.0  1.2  1.0 ! A.680  at 7.69e+07
assign (resid  27 and name   HB ) (resid  28 and name   HN )  4.0  2.2  1.0 ! A.781  at 2.97e+07
assign (resid  27 and name   HN ) (resid  28 and name   HN )  4.0  2.2  1.0 ! A.785  at 1.24e+07
assign (resid  27 and name   HA ) (resid  28 and name   HN )  2.5  0.7  0.4 ! A.45   at 2.63e+08
assign (resid  27 and name   HN ) (resid  36 and name  HE# )  4.0  2.2  2.0 ! A.1260 at 4.17e+06
assign (resid  27 and name   HN ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.681  at 1.24e+07
assign (resid  27 and name   HN ) (resid  88 and name HG11 )  4.0  2.2  2.0 ! A.1256 at 6.82e+06

! S28
assign (resid  28 and name  HB# ) (resid  28 and name   HN )  3.0  1.2  0.5 ! A.295  at 9.38e+07
assign (resid  28 and name  HB# ) (resid  29 and name   HN )  4.0  2.2  2.0 ! A.445  at -3.59e+06
assign (resid  28 and name  HB# ) (resid  30 and name   HN )  4.0  2.2  1.0 ! A.219  at 8.78e+06
assign (resid  28 and name   HN ) (resid  36 and name   HZ )  4.0  2.2  1.0 ! A.784  at 5.40e+06
assign (resid  28 and name   HN ) (resid  59 and name HG2# )  3.0  1.2  1.0 ! A.782  at 7.62e+07
assign (resid  28 and name  HB# ) (resid  78 and name HE22 )  4.0  2.2  1.0 ! A.1199 at 4.89e+06
assign (resid  28 and name  HB# ) (resid  78 and name HE21 )  4.0  2.2  1.0 ! A.169  at 5.06e+06
assign (resid  28 and name   HN ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.780  at 4.92e+06

! A29
assign (resid  29 and name  HB# ) (resid  29 and name   HN )  4.0  2.2  1.5 ! A.444  at -1.22e+07
assign (resid  29 and name  HB# ) (resid  30 and name   HN )  4.0  2.2  1.5 ! A.637  at 1.25e+07
assign (resid  29 and name   HN ) (resid  30 and name   HN )  4.0  2.2  2.0 ! A.639  at 4.10e+06
assign (resid  29 and name  HB# ) (resid  78 and name HE21 )  4.0  2.2  1.5 ! A.1449 at 4.72e+06
assign (resid  29 and name  HB# ) (resid  78 and name HE22 )  4.0  2.2  1.5 ! A.1450 at 8.80e+06

! S30
assign (resid  30 and name  HB2 ) (resid  30 and name   HN )  4.0  2.2  1.0 ! A.217  at 2.06e+07
assign (resid  30 and name  HB1 ) (resid  30 and name   HN )  4.0  2.2  1.0 ! A.218  at 1.59e+07
assign (resid  30 and name   HN ) (resid  31 and name  HB# )  4.0  2.2  2.0 ! A.1263 at 2.54e+06
assign (resid  30 and name  HB2 ) (resid  32 and name   HN )  4.0  2.2  1.0 ! A.184  at 9.66e+06
assign (resid  30 and name  HB1 ) (resid  32 and name   HN )  4.0  2.2  1.0 ! A.185  at 7.88e+06
assign (resid  30 and name  HB1 ) (resid  33 and name   HN )  4.0  2.2  1.0 ! A.307  at 8.27e+06
assign (resid  30 and name  HB2 ) (resid  33 and name   HN )  4.0  2.2  1.0 ! A.308  at 4.67e+06
assign (resid  30 and name   HN ) (resid  33 and name HG1# )  4.0  2.2  1.5 ! A.636  at 5.70e+06
assign (resid  30 and name   HN ) (resid  78 and name HE21 )  4.0  2.2  2.0 ! A.1454 at 2.73e+06
assign (resid  30 and name  HB2 ) (resid  78 and name HE22 )  4.0  2.2  1.0 ! A.165  at 1.13e+07
assign (resid  30 and name  HB2 ) (resid  78 and name HE21 )  4.0  2.2  1.0 ! A.166  at 1.00e+07
assign (resid  30 and name  HB1 ) (resid  78 and name HE21 )  4.0  2.2  1.0 ! A.170  at 6.95e+06
assign (resid  30 and name  HB1 ) (resid  78 and name HE22 )  4.0  2.2  1.0 ! A.167  at 1.00e+07
assign (resid  30 and name   HN ) (resid  88 and name HG2# )  4.0  2.2  2.5 ! A.1264 at 2.66e+06

! D31
assign (resid  31 and name  HB# ) (resid  31 and name   HN )  4.0  2.2  1.0 ! A.1054 at 1.00e+07
assign (resid  31 and name   HN ) (resid  32 and name   HN )  4.0  2.2  2.0 ! A.1057 at 3.35e+06
assign (resid  31 and name  HB# ) (resid  32 and name   HN )  4.0  2.2  1.0 ! A.612  at 2.28e+07
assign (resid  31 and name  HB# ) (resid  33 and name   HN )  4.0  2.2  2.0 ! A.866  at 3.20e+06

! T32
assign (resid  32 and name HG2# ) (resid  32 and name   HN )  3.0  1.2  1.0 ! A.610  at 4.50e+07
assign (resid  32 and name   HB ) (resid  32 and name   HN )  3.0  1.2  0.5 ! A.188  at 4.62e+07
assign (resid  32 and name   HN ) (resid  33 and name   HN )  4.0  2.2  1.0 ! A.873  at 3.34e+07
assign (resid  32 and name HG2# ) (resid  33 and name   HN )  4.0  2.2  1.5 ! A.870  at 2.47e+07
assign (resid  32 and name   HA ) (resid  33 and name   HN )  3.0  1.2  0.5 ! A.305  at 1.25e+08
assign (resid  32 and name   HN ) (resid  33 and name   HB )  4.0  2.2  1.0 ! A.611  at 6.31e+06
assign (resid  32 and name   HN ) (resid  33 and name   HA )  4.0  2.2  1.0 ! A.186  at 4.90e+06
assign (resid  32 and name   HN ) (resid  33 and name HG1# )  4.0  2.2  1.5 ! A.11   at 1.67e+07

! V33
assign (resid  33 and name   HB ) (resid  33 and name   HN )  3.0  1.2  0.5 ! A.868  at 1.16e+08
assign (resid  33 and name HG1# ) (resid  33 and name   HN )  3.0  1.2  1.0 ! A.1266 at 1.15e+08
assign (resid  33 and name   HN ) (resid  34 and name   HN )  4.0  2.2  1.0 ! A.872  at 1.05e+07
assign (resid  33 and name   HB ) (resid  34 and name   HN )  4.0  2.2  1.0 ! A.772  at 4.09e+07
assign (resid  33 and name HG2# ) (resid  34 and name   HN )  3.0  1.2  1.0 ! A.769  at 4.17e+07
assign (resid  33 and name   HA ) (resid  34 and name   HN )  2.5  0.7  0.4 ! A.291  at 1.70e+08
assign (resid  33 and name HG2# ) (resid  35 and name   HN )  3.0  1.2  1.0 ! A.572  at -8.87e+07
assign (resid  33 and name   HB ) (resid  35 and name   HN )  4.0  2.2  1.0 ! A.575  at -3.66e+07
assign (resid  33 and name   HN ) (resid  56 and name  HB1 )  4.0  2.2  1.0 ! A.309  at 5.54e+06
assign (resid  33 and name HG2# ) (resid  56 and name   HN )  4.0  2.2  1.5 ! A.616  at 5.01e+06
assign (resid  33 and name HG2# ) (resid  58 and name   HN )  4.0  2.2  2.5 ! A.1464 at 2.72e+06
assign (resid  33 and name   HN ) (resid  78 and name  HG1 )  4.0  2.2  1.0 ! A.867  at 5.75e+06
assign (resid  33 and name HG1# ) (resid  78 and name HE21 )  4.0  2.2  1.5 ! A.1445 at 1.36e+07
assign (resid  33 and name HG1# ) (resid  78 and name HE22 )  4.0  2.2  1.5 ! A.1446 at 1.48e+07
assign (resid  33 and name HG2# ) (resid  79 and name   HN )  4.0  2.2  1.5 ! A.487  at 2.34e+07
assign (resid  33 and name   HA ) (resid  79 and name   HN )  4.0  2.2  1.0 ! A.408  at 5.87e+06
assign (resid  33 and name HG2# ) (resid  80 and name   HN )  4.0  2.2  1.5 ! A.1563 at 6.64e+06

! S34
assign (resid  34 and name  HB# ) (resid  34 and name   HN )  3.0  1.2  0.5 ! A.292  at 7.05e+07
assign (resid  34 and name   HA ) (resid  35 and name   HN )  4.0  2.2  1.0 ! A.381  at -2.96e+07
assign (resid  34 and name   HN ) (resid  35 and name   HN )  2.5  0.7  0.4 ! A.578  at -1.81e+08
assign (resid  34 and name   HN ) (resid  56 and name   HA )  4.0  2.2  2.0 ! A.776  at 3.90e+06
assign (resid  34 and name   HN ) (resid  78 and name  HG1 )  4.0  2.2  1.0 ! A.773  at 6.30e+06
assign (resid  34 and name   HN ) (resid  79 and name   HN )  4.0  2.2  1.0 ! A.499  at 7.51e+06
assign (resid  34 and name   HN ) (resid  79 and name HG11 )  4.0  2.2  2.0 ! A.770  at 3.11e+06
assign (resid  34 and name   HN ) (resid  79 and name   HB )  4.0  2.2  1.0 ! A.771  at 1.37e+07
assign (resid  34 and name  HB# ) (resid  80 and name   HN )  4.0  2.2  2.0 ! A.358  at 3.70e+06
assign (resid  34 and name   HN ) (resid  80 and name  HB2 )  4.0  2.2  2.0 ! A.775  at 7.91e+06
assign (resid  34 and name   HN ) (resid  80 and name   HA )  3.0  1.2  0.5 ! A.290  at 3.83e+07
assign (resid  34 and name  HB# ) (resid  81 and name   HN )  4.0  2.2  2.0 ! A.359  at 3.31e+06
assign (resid  34 and name  HB# ) (resid  83 and name   HN )  4.0  2.2  1.0 ! A.1586 at -7.88e+06

! G35
assign (resid  35 and name   HN ) (resid  36 and name   HN )  4.0  2.2  1.0 ! A.579  at -1.15e+07
assign (resid  35 and name   HN ) (resid  36 and name   HA )  4.0  2.2  1.0 ! A.377  at -5.13e+06
assign (resid  35 and name  HA1 ) (resid  36 and name   HN )  3.0  1.2  0.5 ! A.83   at 1.02e+08
assign (resid  35 and name  HA2 ) (resid  36 and name   HN )  3.0  1.2  0.5 ! A.82   at 1.03e+08
assign (resid  35 and name  HA2 ) (resid  54 and name   HN )  4.0  2.2  2.0 ! A.1094 at 3.88e+06
assign (resid  35 and name  HA1 ) (resid  54 and name   HN )  4.0  2.2  1.0 ! A.1095 at 4.73e+06
assign (resid  35 and name   HN ) (resid  56 and name   HA )  4.0  2.2  1.0 ! A.577  at -1.26e+07
assign (resid  35 and name   HN ) (resid  56 and name   HN )  4.0  2.2  2.0 ! A.626  at 3.13e+06
assign (resid  35 and name  HA2 ) (resid  56 and name   HN )  3.0  1.2  0.5 ! A.206  at 9.82e+07
assign (resid  35 and name  HA1 ) (resid  56 and name   HN )  4.0  2.2  1.0 ! A.208  at 1.02e+07
assign (resid  35 and name  HA2 ) (resid  58 and name   HN )  4.0  2.2  2.0 ! A.544  at 3.47e+06
assign (resid  35 and name   HN ) (resid  79 and name   HN )  4.0  2.2  1.0 ! A.106  at 2.68e+07
assign (resid  35 and name  HA2 ) (resid  79 and name   HN )  4.0  2.2  1.0 ! A.497  at 5.02e+06
assign (resid  35 and name   HN ) (resid  79 and name   HB )  3.0  1.2  0.5 ! A.574  at -5.54e+07
assign (resid  35 and name   HN ) (resid  79 and name HG12 )  4.0  2.2  2.0 ! A.1269 at -5.57e+06
assign (resid  35 and name   HN ) (resid  79 and name HG11 )  4.0  2.2  1.0 ! A.573  at -5.58e+06
assign (resid  35 and name   HN ) (resid  80 and name   HA )  4.0  2.2  1.0 ! A.382  at -8.44e+06

! F36
assign (resid  36 and name  HB1 ) (resid  36 and name   HN )  4.0  2.2  1.0 ! A.1272 at 2.32e+07
assign (resid  36 and name  HB2 ) (resid  36 and name   HN )  3.0  1.2  0.5 ! A.646  at 4.24e+07
assign (resid  36 and name  HD# ) (resid  36 and name   HN )  3.0  1.2  0.5 ! A.651  at 3.58e+07
assign (resid  36 and name  HE# ) (resid  36 and name   HN )  4.0  2.2  1.0 ! A.650  at 5.86e+06
assign (resid  36 and name   HN ) (resid  37 and name   HN )  4.0  2.2  1.0 ! A.1280 at 6.29e+06
assign (resid  36 and name  HB2 ) (resid  37 and name   HN )  4.0  2.2  1.0 ! A.1276 at 3.03e+07
assign (resid  36 and name  HB1 ) (resid  37 and name   HN )  3.0  1.2  0.5 ! A.1110 at 4.71e+07
assign (resid  36 and name   HA ) (resid  37 and name   HN )  2.5  0.7  0.4 ! A.84   at 1.56e+08
assign (resid  36 and name  HD# ) (resid  37 and name   HN )  4.0  2.2  1.0 ! A.1279 at 1.71e+07
assign (resid  36 and name   HN ) (resid  54 and name   HN )  3.0  1.2  0.5 ! A.74   at 3.93e+07
assign (resid  36 and name  HB2 ) (resid  54 and name   HN )  4.0  2.2  1.0 ! A.1091 at 1.81e+07
assign (resid  36 and name  HD# ) (resid  54 and name   HN )  4.0  2.2  1.0 ! A.1347 at 5.68e+06
assign (resid  36 and name   HN ) (resid  54 and name  HB2 )  4.0  2.2  1.0 ! A.644  at 2.73e+07
assign (resid  36 and name   HN ) (resid  54 and name  HB1 )  4.0  2.2  1.0 ! A.645  at 1.19e+07
assign (resid  36 and name   HN ) (resid  54 and name   HA )  4.0  2.2  2.0 ! A.224  at 3.54e+06
assign (resid  36 and name   HN ) (resid  54 and name HD1# )  4.0  2.2  1.5 ! A.642  at 9.94e+06
assign (resid  36 and name   HN ) (resid  55 and name   HA )  4.0  2.2  2.0 ! A.223  at 4.16e+06
assign (resid  36 and name   HN ) (resid  56 and name   HA )  4.0  2.2  1.0 ! A.1214 at 8.93e+06
assign (resid  36 and name   HN ) (resid  56 and name   HN )  4.0  2.2  1.0 ! A.653  at 4.93e+06
assign (resid  36 and name  HE# ) (resid  56 and name   HN )  4.0  2.2  2.0 ! A.627  at 4.11e+06
assign (resid  36 and name  HE# ) (resid  58 and name   HN )  3.0  1.2  0.5 ! A.1475 at 3.63e+07
assign (resid  36 and name   HN ) (resid  58 and name  HB# )  4.0  2.2  1.5 ! A.1271 at 1.07e+07
assign (resid  36 and name  HD# ) (resid  78 and name   HN )  4.0  2.2  1.0 ! A.1561 at 5.44e+06
assign (resid  36 and name   HA ) (resid  79 and name   HN )  3.0  1.2  0.5 ! A.105  at 3.84e+07
assign (resid  36 and name  HB1 ) (resid  79 and name   HN )  4.0  2.2  2.0 ! A.496  at 4.42e+06
assign (resid  36 and name   HN ) (resid  79 and name HD1# )  4.0  2.2  1.5 ! A.640  at 5.81e+06
assign (resid  36 and name   HN ) (resid  79 and name HG2# )  4.0  2.2  2.5 ! A.641  at 3.69e+06
assign (resid  36 and name   HN ) (resid  79 and name   HB )  4.0  2.2  2.0 ! A.643  at 3.95e+06
assign (resid  36 and name  HE* ) (resid  79 and name   HN )  4.0  2.2  1.0 ! A.502  at 5.70e+06

! R37
assign (resid  37 and name  HB1 ) (resid  37 and name   HN )  3.0  1.2  0.5 ! A.1107 at 3.99e+07
assign (resid  37 and name  HB2 ) (resid  37 and name   HN )  4.0  2.2  1.0 ! A.1108 at 3.03e+07
assign (resid  37 and name  HG2 ) (resid  37 and name   HN )  4.0  2.2  1.0 ! A.1106 at 9.37e+06
assign (resid  37 and name   HA ) (resid  37 and name   HE )  4.0  2.2  2.0 ! A.278  at 3.86e+06
assign (resid  37 and name  HB1 ) (resid  37 and name   HE )  4.0  2.2  1.0 ! A.1353 at 1.14e+07
assign (resid  37 and name  HB2 ) (resid  37 and name   HE )  4.0  2.2  1.0 ! A.1354 at 9.90e+06
assign (resid  37 and name  HG2 ) (resid  37 and name   HE )  4.0  2.2  1.0 ! A.1348 at 8.39e+06
assign (resid  37 and name  HG1 ) (resid  37 and name   HE )  4.0  2.2  1.0 ! A.1352 at 1.21e+07
assign (resid  37 and name   HN ) (resid  38 and name   HA )  4.0  2.2  1.0 ! A.1277 at 4.76e+06
assign (resid  37 and name   HN ) (resid  38 and name HG2# )  4.0  2.2  1.5 ! A.1274 at 1.06e+07
assign (resid  37 and name  HD# ) (resid  38 and name   HN )  4.0  2.2  1.0 ! A.430  at -9.71e+06
assign (resid  37 and name  HG2 ) (resid  38 and name   HN )  4.0  2.2  1.0 ! A.427  at -1.54e+07
assign (resid  37 and name  HB2 ) (resid  38 and name   HN )  4.0  2.2  1.0 ! A.1282 at -2.52e+07
assign (resid  37 and name   HA ) (resid  38 and name   HN )  2.5  0.7  0.4 ! A.80   at -1.63e+08
assign (resid  37 and name  HB1 ) (resid  39 and name   HN )  4.0  2.2  2.0 ! A.422  at -4.31e+06
assign (resid  37 and name   HE ) (resid  39 and name  HB2 )  4.0  2.2  1.0 ! A.1349 at 5.94e+06
assign (resid  37 and name   HE ) (resid  51 and name  HB2 )  4.0  2.2  2.0 ! A.1355 at 4.24e+06
assign (resid  37 and name   HE ) (resid  51 and name   HA )  4.0  2.2  2.0 ! A.1360 at 2.64e+06
assign (resid  37 and name   HE ) (resid  51 and name  HD# )  4.0  2.2  1.0 ! A.1357 at 5.17e+06
assign (resid  37 and name   HE ) (resid  51 and name  HE# )  4.0  2.2  2.0 ! A.1358 at 3.74e+06
assign (resid  37 and name  HD# ) (resid  53 and name   HN )  4.0  2.2  2.0 ! A.1196 at 4.64e+06
assign (resid  37 and name   HN ) (resid  54 and name HD1# )  4.0  2.2  2.5 ! A.1104 at 5.38e+06
assign (resid  37 and name   HN ) (resid  76 and name HG1# )  4.0  2.2  1.5 ! A.36   at 1.26e+07
assign (resid  37 and name   HN ) (resid  76 and name   HA )  4.0  2.2  1.0 ! A.142  at 7.23e+06
assign (resid  37 and name  HB2 ) (resid  77 and name   HN )  4.0  2.2  1.0 ! A.1142 at 5.48e+06
assign (resid  37 and name   HN ) (resid  77 and name   HN )  4.0  2.2  1.0 ! A.101  at 2.38e+07
assign (resid  37 and name   HN ) (resid  77 and name  HB2 )  4.0  2.2  1.0 ! A.1111 at 2.36e+07
assign (resid  37 and name   HN ) (resid  77 and name  HD# )  4.0  2.2  1.0 ! A.1278 at 7.48e+06
assign (resid  37 and name   HN ) (resid  78 and name   HA )  4.0  2.2  1.0 ! A.103  at 1.46e+07
assign (resid  37 and name   HN ) (resid  78 and name  HB# )  4.0  2.2  1.0 ! A.1642 at 6.39e+06
assign (resid  37 and name   HN ) (resid  79 and name   HN )  4.0  2.2  1.0 ! A.500  at 8.39e+06
assign (resid  37 and name   HN ) (resid  79 and name HG11 )  4.0  2.2  1.0 ! A.1105 at 9.43e+06
assign (resid  37 and name   HN ) (resid  79 and name HG12 )  4.0  2.2  1.0 ! A.1103 at 1.26e+07
assign (resid  37 and name   HN ) (resid  79 and name HD1# )  4.0  2.2  1.5 ! A.143  at 1.60e+07
assign (resid  37 and name  HG2 ) (resid  85 and name HE22 )  4.0  2.2  2.0 ! A.1367 at -2.39e+06
assign (resid  37 and name  HD# ) (resid  85 and name HE22 )  4.0  2.2  1.0 ! A.1377 at -9.62e+06
assign (resid  37 and name  HD# ) (resid  85 and name HE21 )  4.0  2.2  1.0 ! A.1376 at -6.86e+06
assign (resid  37 and name  HB1 ) (resid  85 and name HE22 )  4.0  2.2  2.0 ! A.1368 at -2.75e+06
assign (resid  37 and name  HB2 ) (resid  85 and name HE22 )  4.0  2.2  1.0 ! A.1369 at -8.83e+06

! V38
assign (resid  38 and name HG2# ) (resid  38 and name   HN )  3.0  1.2  1.0 ! A.433  at -4.32e+07
assign (resid  38 and name HG1# ) (resid  38 and name   HN )  4.0  2.2  1.5 ! A.1211 at -1.66e+07
assign (resid  38 and name   HB ) (resid  38 and name   HN )  3.0  1.2  0.5 ! A.428  at -7.55e+07
assign (resid  38 and name HG1# ) (resid  39 and name   HN )  3.0  1.2  1.0 ! A.424  at -4.97e+07
assign (resid  38 and name   HA ) (resid  39 and name   HN )  2.5  0.7  0.4 ! A.85   at -1.48e+08
assign (resid  38 and name   HN ) (resid  51 and name   HA )  4.0  2.2  1.0 ! A.2    at -6.55e+06
assign (resid  38 and name   HN ) (resid  51 and name  HB1 )  4.0  2.2  1.0 ! A.430  at -9.71e+06
assign (resid  38 and name   HB ) (resid  52 and name   HN )  3.0  1.2  0.5 ! A.1025 at 3.55e+07
assign (resid  38 and name   HN ) (resid  52 and name   HN )  3.0  1.2  0.5 ! A.73   at 4.56e+07
assign (resid  38 and name   HN ) (resid  52 and name  HB2 )  3.0  1.2  0.5 ! A.431  at -3.66e+07
assign (resid  38 and name   HN ) (resid  53 and name   HN )  4.0  2.2  2.0 ! A.1342 at 3.05e+06
assign (resid  38 and name   HN ) (resid  53 and name  HB1 )  4.0  2.2  2.0 ! A.1651  at -5.60e+06
assign (resid  38 and name HG2# ) (resid  54 and name   HN )  4.0  2.2  2.5 ! A.1085 at 4.47e+06
assign (resid  38 and name   HN ) (resid  54 and name   HN )  4.0  2.2  1.0 ! A.1099 at 1.20e+07
assign (resid  38 and name   HN ) (resid  54 and name HD1# )  4.0  2.2  1.5 ! A.432  at -1.39e+07
assign (resid  38 and name HG2# ) (resid  61 and name   HN )  4.0  2.2  1.5 ! A.703  at 1.52e+07
assign (resid  38 and name   HA ) (resid  76 and name   HN )  4.0  2.2  2.0 ! A.1542 at 3.94e+06
assign (resid  38 and name   HN ) (resid  76 and name HG2# )  4.0  2.2  2.5 ! A.1281 at -3.53e+06
assign (resid  38 and name   HN ) (resid  76 and name   HA )  4.0  2.2  2.0 ! A.194  at -3.03e+06
assign (resid  38 and name   HN ) (resid  76 and name HG1# )  4.0  2.2  2.5 ! A.4    at -3.09e+06
assign (resid  38 and name   HA ) (resid  77 and name   HN )  4.0  2.2  1.0 ! A.100  at 1.94e+07
assign (resid  38 and name HG2# ) (resid  77 and name   HN )  4.0  2.2  1.5 ! A.1139 at 1.10e+07
assign (resid  38 and name HG1# ) (resid  77 and name   HN )  4.0  2.2  1.5 ! A.1210 at 6.83e+06
assign (resid  38 and name   HN ) (resid  77 and name  HD# )  4.0  2.2  2.0 ! A.1283 at -3.15e+06

! E39
assign (resid  39 and name  HB2 ) (resid  39 and name   HN )  3.0  1.2  0.5 ! A.419  at -5.16e+07
assign (resid  39 and name  HB1 ) (resid  39 and name   HN )  3.0  1.2  0.5 ! A.420  at -4.44e+07
assign (resid  39 and name   HN ) (resid  40 and name   HN )  4.0  2.2  1.0 ! A.941  at 7.02e+06
assign (resid  39 and name  HG2 ) (resid  40 and name   HN )  3.0  1.2  0.5 ! A.933  at 3.54e+07
assign (resid  39 and name  HB1 ) (resid  40 and name   HN )  4.0  2.2  1.0 ! A.935  at 1.28e+07
assign (resid  39 and name   HA ) (resid  40 and name   HN )  2.5  0.7  0.4 ! A.77   at 1.58e+08
assign (resid  39 and name   HN ) (resid  40 and name  HD# )  4.0  2.2  1.0 ! A.1    at -1.28e+07
assign (resid  39 and name   HA ) (resid  50 and name   HN )  4.0  2.2  1.0 ! A.296  at 9.79e+06
assign (resid  39 and name  HG2 ) (resid  50 and name   HN )  3.0  1.2  0.5 ! A.1657 at 5.20e+07
assign (resid  39 and name   HA ) (resid  51 and name   HN )  4.0  2.2  2.0 ! A.229  at 4.00e+06
assign (resid  39 and name   HN ) (resid  51 and name   HA )  4.0  2.2  2.0 ! A.1286 at -2.41e+06
assign (resid  39 and name   HA ) (resid  52 and name   HN )  4.0  2.2  1.0 ! A.79   at 1.75e+07
assign (resid  39 and name   HN ) (resid  52 and name   HN )  4.0  2.2  2.0 ! A.425  at -4.30e+06
assign (resid  39 and name   HN ) (resid  63 and name HD1# )  4.0  2.2  2.5 ! A.1284 at -2.33e+06
assign (resid  39 and name   HN ) (resid  74 and name   HA )  4.0  2.2  1.0 ! A.197  at -5.73e+06
assign (resid  39 and name   HN ) (resid  75 and name   HN )  4.0  2.2  1.0 ! A.91   at 3.20e+07
assign (resid  39 and name  HB1 ) (resid  75 and name   HN )  4.0  2.2  1.0 ! A.1195 at 1.18e+07
assign (resid  39 and name  HB1 ) (resid  75 and name HD22 )  4.0  2.2  2.0 ! A.1390 at 7.15e+06
assign (resid  39 and name  HB1 ) (resid  75 and name HD21 )  4.0  2.2  1.0 ! A.1393 at 8.75e+06
assign (resid  39 and name   HN ) (resid  75 and name  HB2 )  4.0  2.2  1.0 ! A.421  at -1.21e+07
assign (resid  39 and name   HN ) (resid  76 and name HG1# )  4.0  2.2  2.5 ! A.16   at -2.59e+06
assign (resid  39 and name   HN ) (resid  76 and name HG2# )  4.0  2.2  1.5 ! A.15   at -6.82e+06
assign (resid  39 and name   HN ) (resid  76 and name   HA )  4.0  2.2  1.0 ! A.98   at -1.92e+07
assign (resid  39 and name   HN ) (resid  77 and name  HE# )  4.0  2.2  1.0 ! A.1658 at -9.17e+06

! Y40
assign (resid  40 and name  HE# ) (resid  40 and name   HN )  4.0  2.2  1.0 ! A.944  at 7.10e+06
assign (resid  40 and name  HB2 ) (resid  40 and name   HN )  4.0  2.2  1.0 ! A.937  at 1.41e+07
assign (resid  40 and name  HD# ) (resid  40 and name   HN )  3.0  1.2  0.5 ! A.1290 at 5.29e+07
assign (resid  40 and name  HB1 ) (resid  40 and name   HN )  4.0  2.2  1.0 ! A.936  at 1.35e+07
assign (resid  40 and name   HA ) (resid  41 and name   HN )  2.5  0.7  0.4 ! A.87   at 1.67e+08
assign (resid  40 and name  HB1 ) (resid  41 and name   HN )  4.0  2.2  1.0 ! A.726  at 2.69e+07
assign (resid  40 and name  HB2 ) (resid  41 and name   HN )  3.0  1.2  0.5 ! A.725  at 4.88e+07
assign (resid  40 and name  HD# ) (resid  41 and name   HN )  4.0  2.2  1.0 ! A.1295 at 1.23e+07
assign (resid  40 and name   HN ) (resid  49 and name  HB2 )  4.0  2.2  1.0 ! A.931  at 1.06e+07
assign (resid  40 and name   HN ) (resid  49 and name   HA )  4.0  2.2  1.0 ! A.316  at 7.95e+06
assign (resid  40 and name   HN ) (resid  50 and name  HB1 )  4.0  2.2  1.0 ! A.1289 at 7.56e+06
assign (resid  40 and name   HN ) (resid  50 and name  HB2 )  4.0  2.2  1.0 ! A.27   at 1.05e+07
assign (resid  40 and name   HN ) (resid  50 and name   HN )  3.0  1.2  0.5 ! A.71   at 3.67e+07
assign (resid  40 and name  HE# ) (resid  50 and name   HN )  4.0  2.2  2.0 ! A.1325 at 3.80e+06
assign (resid  40 and name  HD# ) (resid  50 and name   HN )  4.0  2.2  1.0 ! A.1326 at 7.58e+06
assign (resid  40 and name   HA ) (resid  50 and name   HN )  4.0  2.2  2.0 ! A.848  at 3.00e+06
assign (resid  40 and name  HB2 ) (resid  50 and name   HN )  4.0  2.2  2.0 ! A.846  at 2.58e+06
assign (resid  40 and name  HE# ) (resid  50 and name HE21 )  4.0  2.2  1.0 ! A.1410 at 1.21e+07
assign (resid  40 and name  HE# ) (resid  50 and name HE22 )  4.0  2.2  1.0 ! A.1409 at 1.40e+07
assign (resid  40 and name   HN ) (resid  51 and name   HA )  4.0  2.2  1.0 ! A.78   at 1.56e+07
assign (resid  40 and name  HE# ) (resid  51 and name   HN )  4.0  2.2  1.0 ! A.1327 at 6.48e+06
assign (resid  40 and name  HE# ) (resid  52 and name   HN )  4.0  2.2  1.0 ! A.1333 at 1.01e+07
assign (resid  40 and name  HD# ) (resid  52 and name   HN )  4.0  2.2  1.0 ! A.1334 at 7.53e+06
assign (resid  40 and name   HN ) (resid  52 and name   HN )  4.0  2.2  2.0 ! A.942  at 5.52e+06
assign (resid  40 and name  HB2 ) (resid  74 and name   HN )  4.0  2.2  2.0 ! A.483  at 3.85e+06
assign (resid  40 and name   HA ) (resid  74 and name   HN )  4.0  2.2  2.0 ! A.484  at 3.83e+06
assign (resid  40 and name   HN ) (resid  74 and name   HA )  4.0  2.2  2.0 ! A.938  at 3.73e+06
assign (resid  40 and name   HN ) (resid  74 and name  HG* )  4.0  2.2  1.5 ! A.1288 at 7.72e+06
assign (resid  40 and name   HA ) (resid  75 and name   HN )  4.0  2.2  1.0 ! A.92   at 1.90e+07
assign (resid  40 and name  HB1 ) (resid  75 and name   HN )  4.0  2.2  1.0 ! A.1158 at 8.56e+06

! E41
assign (resid  41 and name  HG1 ) (resid  41 and name   HN )  3.0  1.2  0.5 ! A.1293 at 4.35e+07
assign (resid  41 and name  HG2 ) (resid  41 and name   HN )  3.0  1.2  0.5 ! A.722  at 3.71e+07
assign (resid  41 and name   HN ) (resid  42 and name   HN )  4.0  2.2  1.0 ! A.1174 at 1.29e+07
assign (resid  41 and name   HA ) (resid  42 and name   HN )  2.5  0.7  0.4 ! A.417  at 1.67e+08
assign (resid  41 and name  HB2 ) (resid  42 and name   HN )  3.0  1.2  0.5 ! A.1168 at 7.35e+07
assign (resid  41 and name  HG1 ) (resid  42 and name   HN )  4.0  2.2  1.0 ! A.1167 at 2.03e+07
assign (resid  41 and name  HB1 ) (resid  42 and name   HN )  4.0  2.2  1.0 ! A.1298 at 5.55e+07
assign (resid  41 and name   HN ) (resid  49 and name   HA )  4.0  2.2  2.0 ! A.1294 at 2.86e+06
assign (resid  41 and name  HB1 ) (resid  50 and name   HN )  4.0  2.2  1.0 ! A.1321 at 2.65e+07
assign (resid  41 and name   HA ) (resid  50 and name   HN )  4.0  2.2  1.0 ! A.76   at 1.47e+07
assign (resid  41 and name   HN ) (resid  50 and name   HN )  4.0  2.2  2.0 ! A.1297 at 2.68e+06
assign (resid  41 and name  HB1 ) (resid  50 and name HE21 )  4.0  2.2  2.0 ! A.1401 at 4.59e+06
assign (resid  41 and name  HB2 ) (resid  50 and name HE21 )  4.0  2.2  2.0 ! A.1404 at 4.36e+06
assign (resid  41 and name  HB2 ) (resid  50 and name HE22 )  4.0  2.2  2.0 ! A.1405 at 3.73e+06
assign (resid  41 and name   HN ) (resid  72 and name  HD# )  4.0  2.2  1.0 ! A.1296 at 2.64e+07
assign (resid  41 and name  HG1 ) (resid  73 and name   HN )  4.0  2.2  1.0 ! A.1332 at 1.41e+07
assign (resid  41 and name   HN ) (resid  73 and name   HN )  4.0  2.2  1.0 ! A.89   at 3.33e+07
assign (resid  41 and name  HG2 ) (resid  73 and name   HN )  4.0  2.2  1.0 ! A.1331 at 1.68e+07
assign (resid  41 and name   HN ) (resid  73 and name HG11 )  4.0  2.2  2.0 ! A.1291 at 2.57e+06
assign (resid  41 and name   HN ) (resid  73 and name HG12 )  4.0  2.2  2.0 ! A.727  at 3.57e+06
assign (resid  41 and name   HN ) (resid  73 and name   HB )  4.0  2.2  1.0 ! A.724  at 2.00e+07
assign (resid  41 and name   HN ) (resid  73 and name HG2# )  4.0  2.2  1.5 ! A.721  at 9.07e+06
assign (resid  41 and name   HN ) (resid  74 and name   HA )  4.0  2.2  1.0 ! A.90   at 2.29e+07
assign (resid  41 and name   HN ) (resid  74 and name HG2# )  4.0  2.2  1.5 ! A.720  at 1.46e+07
assign (resid  41 and name   HN ) (resid  75 and name   HN )  4.0  2.2  2.0 ! A.1162 at 2.67e+06

! L42
assign (resid  42 and name HD1# ) (resid  42 and name   HN )  4.0  2.2  1.5 ! A.1164 at 2.48e+07
assign (resid  42 and name HD2# ) (resid  42 and name   HN )  4.0  2.2  1.5 ! A.37   at 1.93e+07
assign (resid  42 and name   HG ) (resid  42 and name   HN )  3.0  1.2  0.5 ! A.1165 at 1.07e+08
assign (resid  42 and name  HB2 ) (resid  42 and name   HN )  3.0  1.2  0.5 ! A.1166 at 1.04e+08
assign (resid  42 and name   HN ) (resid  43 and name   HN )  4.0  2.2  1.0 ! A.137  at 1.02e+07
assign (resid  42 and name HD1# ) (resid  43 and name   HN )  4.0  2.2  1.5 ! A.736  at 1.86e+07
assign (resid  42 and name  HB1 ) (resid  43 and name   HN )  3.0  1.2  0.5 ! A.728  at 3.83e+07
assign (resid  42 and name HD2# ) (resid  43 and name   HN )  3.0  1.2  1.0 ! A.21   at 3.55e+07
assign (resid  42 and name  HB2 ) (resid  43 and name   HN )  4.0  2.2  1.0 ! A.729  at 2.38e+07
assign (resid  42 and name   HA ) (resid  43 and name   HN )  2.5  0.7  0.4 ! A.247  at 1.99e+08
assign (resid  42 and name HD2# ) (resid  44 and name   HN )  4.0  2.2  2.5 ! A.796  at 4.26e+06
assign (resid  42 and name HD1# ) (resid  44 and name   HN )  4.0  2.2  1.5 ! A.797  at 5.19e+06
assign (resid  42 and name   HA ) (resid  44 and name   HN )  4.0  2.2  1.0 ! A.1307 at 7.23e+06
assign (resid  42 and name  HB1 ) (resid  44 and name   HN )  4.0  2.2  1.0 ! A.800  at 2.00e+07
assign (resid  42 and name  HB2 ) (resid  44 and name   HN )  4.0  2.2  1.0 ! A.799  at 1.15e+07
assign (resid  42 and name   HN ) (resid  44 and name   HN )  4.0  2.2  2.0 ! A.808  at 2.93e+06
assign (resid  42 and name  HB2 ) (resid  45 and name   HN )  4.0  2.2  1.0 ! A.834  at 7.31e+06
assign (resid  42 and name HD1# ) (resid  45 and name   HN )  4.0  2.2  2.5 ! A.832  at 2.85e+06
assign (resid  42 and name  HB1 ) (resid  45 and name   HN )  4.0  2.2  1.0 ! A.833  at 8.40e+06
assign (resid  42 and name   HA ) (resid  45 and name   HN )  4.0  2.2  1.0 ! A.284  at 5.86e+06
assign (resid  42 and name HD2# ) (resid  45 and name   HN )  4.0  2.2  2.5 ! A.831  at 3.12e+06
assign (resid  42 and name  HB2 ) (resid  46 and name   HN )  4.0  2.2  2.0 ! A.598  at -2.58e+06
assign (resid  42 and name  HB1 ) (resid  46 and name   HN )  4.0  2.2  2.0 ! A.597  at -2.58e+06
assign (resid  42 and name   HN ) (resid  47 and name  HB1 )  4.0  2.2  1.0 ! A.1204 at 1.13e+07
assign (resid  42 and name   HN ) (resid  47 and name  HB2 )  4.0  2.2  1.0 ! A.1169 at 6.94e+06
assign (resid  42 and name  HB1 ) (resid  47 and name   HN )  4.0  2.2  1.0 ! A.902  at 4.86e+06
assign (resid  42 and name   HN ) (resid  47 and name   HN )  4.0  2.2  2.0 ! A.911  at 4.32e+06
assign (resid  42 and name HD1# ) (resid  47 and name   HN )  4.0  2.2  1.5 ! A.901  at 6.86e+06
assign (resid  42 and name  HB2 ) (resid  47 and name   HN )  4.0  2.2  1.0 ! A.903  at 7.50e+06
assign (resid  42 and name   HN ) (resid  49 and name   HA )  4.0  2.2  1.0 ! A.393  at 7.95e+06
assign (resid  42 and name HD1# ) (resid  67 and name   HN )  4.0  2.2  2.5 ! A.1059 at 3.55e+06
assign (resid  42 and name HD2# ) (resid  67 and name   HN )  4.0  2.2  1.5 ! A.1058 at 4.89e+06
assign (resid  42 and name HD2# ) (resid  70 and name   HN )  4.0  2.2  1.5 ! A.817  at 5.09e+06
assign (resid  42 and name HD2# ) (resid  71 and name   HN )  4.0  2.2  1.5 ! A.25   at 2.04e+07
assign (resid  42 and name HD1# ) (resid  71 and name   HN )  4.0  2.2  1.5 ! A.889  at 6.81e+06
assign (resid  42 and name   HA ) (resid  72 and name   HN )  4.0  2.2  2.0 ! A.402  at 3.41e+06
assign (resid  42 and name   HN ) (resid  72 and name  HE# )  4.0  2.2  1.0 ! A.1299 at 1.34e+07
assign (resid  42 and name   HA ) (resid  73 and name   HN )  4.0  2.2  1.0 ! A.350  at 1.81e+07
assign (resid  42 and name HD2# ) (resid  73 and name   HN )  4.0  2.2  1.5 ! A.1017 at 5.05e+06

! S43
assign (resid  43 and name  HB# ) (resid  43 and name   HN )  3.0  1.2  0.5 ! A.244  at 1.25e+08
assign (resid  43 and name   HN ) (resid  44 and name   HN )  4.0  2.2  1.0 ! A.804  at 3.20e+07
assign (resid  43 and name  HB# ) (resid  44 and name   HN )  4.0  2.2  1.0 ! A.297  at 1.91e+07
assign (resid  43 and name   HN ) (resid  44 and name  HB2 )  4.0  2.2  1.0 ! A.731  at 7.63e+06
assign (resid  43 and name   HN ) (resid  44 and name  HG# )  4.0  2.2  1.0 ! A.732  at 8.19e+06
assign (resid  43 and name   HN ) (resid  45 and name   HN )  4.0  2.2  1.0 ! A.1316 at 7.97e+06
assign (resid  43 and name  HB# ) (resid  71 and name   HN )  4.0  2.2  1.0 ! A.300  at 7.39e+06
assign (resid  43 and name   HN ) (resid  71 and name  HB1 )  4.0  2.2  1.0 ! A.730  at 9.52e+06
assign (resid  43 and name   HN ) (resid  72 and name  HD# )  4.0  2.2  1.0 ! A.1302 at 7.12e+06
assign (resid  43 and name   HN ) (resid  72 and name  HB2 )  4.0  2.2  2.0 ! A.1301 at 4.83e+06
assign (resid  43 and name   HN ) (resid  72 and name  HB1 )  4.0  2.2  1.0 ! A.734  at 5.90e+06
assign (resid  43 and name   HN ) (resid  72 and name   HN )  4.0  2.2  1.0 ! A.136  at 4.88e+06
assign (resid  43 and name   HN ) (resid  72 and name   HA )  3.0  1.2  0.5 ! A.249  at 6.18e+07
assign (resid  43 and name   HN ) (resid  73 and name   HN )  4.0  2.2  1.0 ! A.1035 at 1.11e+07
assign (resid  43 and name  HB# ) (resid  73 and name   HN )  4.0  2.2  1.0 ! A.351  at 5.79e+06
assign (resid  43 and name   HN ) (resid  73 and name HD1# )  4.0  2.2  1.5 ! A.1300 at 9.46e+06

! E44
assign (resid  44 and name  HB2 ) (resid  44 and name   HN )  3.0  1.2  0.5 ! A.798  at 3.54e+07
assign (resid  44 and name  HB1 ) (resid  44 and name   HN )  4.0  2.2  1.0 ! A.802  at 2.31e+07
assign (resid  44 and name  HG# ) (resid  44 and name   HN )  4.0  2.2  1.0 ! A.801  at 3.39e+07
assign (resid  44 and name   HN ) (resid  45 and name   HN )  4.0  2.2  1.0 ! A.807  at 2.14e+07
assign (resid  44 and name  HB2 ) (resid  45 and name   HN )  3.0  1.2  0.5 ! A.1310 at 3.51e+07
assign (resid  44 and name  HG# ) (resid  71 and name   HN )  4.0  2.2  2.0 ! A.1521 at 3.25e+06
assign (resid  44 and name   HN ) (resid  71 and name   HN )  4.0  2.2  1.0 ! A.1309 at 2.04e+07
assign (resid  44 and name   HN ) (resid  73 and name HG11 )  4.0  2.2  2.0 ! A.1303 at 2.76e+06

! E45
assign (resid  45 and name  HG# ) (resid  45 and name   HN )  3.0  1.2  0.5 ! A.836  at 7.02e+07
assign (resid  45 and name  HB2 ) (resid  45 and name   HN )  3.0  1.2  0.5 ! A.835  at 8.00e+07
assign (resid  45 and name  HB1 ) (resid  45 and name   HN )  3.0  1.2  0.5 ! A.837  at 6.44e+07
assign (resid  45 and name  HG# ) (resid  46 and name   HN )  4.0  2.2  1.0 ! A.601  at -1.26e+07
assign (resid  45 and name  HB2 ) (resid  46 and name   HN )  4.0  2.2  1.0 ! A.599  at -1.41e+07
assign (resid  45 and name   HA ) (resid  46 and name   HN )  3.0  1.2  0.5 ! A.399  at -7.98e+07
assign (resid  45 and name   HN ) (resid  46 and name   HN )  4.0  2.2  1.0 ! A.595  at -2.51e+07
assign (resid  45 and name  HB1 ) (resid  46 and name   HN )  4.0  2.2  1.0 ! A.600  at -2.34e+07
assign (resid  45 and name   HN ) (resid  46 and name  HA# )  4.0  2.2  1.0 ! A.283  at 5.93e+06
assign (resid  45 and name   HA ) (resid  47 and name   HN )  4.0  2.2  1.0 ! A.315  at 1.10e+07
assign (resid  45 and name  HB1 ) (resid  47 and name   HN )  4.0  2.2  1.0 ! A.905  at 2.17e+07
assign (resid  45 and name  HB2 ) (resid  47 and name   HN )  4.0  2.2  1.0 ! A.904  at 1.29e+07
assign (resid  45 and name  HG# ) (resid  47 and name   HN )  4.0  2.2  1.0 ! A.906  at 1.24e+07

! G46
assign (resid  46 and name   HN ) (resid  47 and name   HN )  4.0  2.2  1.0 ! A.596  at -3.20e+07
assign (resid  46 and name  HA# ) (resid  47 and name   HN )  3.0  1.2  0.5 ! A.314  at 8.61e+07

! D47
assign (resid  47 and name  HB1 ) (resid  47 and name   HN )  3.0  1.2  0.5 ! A.908  at 6.47e+07
assign (resid  47 and name  HB2 ) (resid  47 and name   HN )  3.0  1.2  0.5 ! A.907  at 9.20e+07
assign (resid  47 and name  HB1 ) (resid  48 and name   HN )  3.0  1.2  0.5 ! A.918  at 6.44e+07
assign (resid  47 and name   HA ) (resid  48 and name   HN )  2.5  0.7  0.4 ! A.1319 at 2.70e+08
assign (resid  47 and name  HB2 ) (resid  48 and name   HN )  3.0  1.2  0.5 ! A.917  at 5.82e+07
assign (resid  47 and name  HB1 ) (resid  50 and name HE21 )  4.0  2.2  2.0 ! A.1408 at 2.45e+06

! E48
assign (resid  48 and name  HB2 ) (resid  48 and name   HN )  3.0  1.2  0.5 ! A.914  at 1.19e+08
assign (resid  48 and name  HB1 ) (resid  48 and name   HN )  3.0  1.2  0.5 ! A.915  at 6.68e+07
assign (resid  48 and name  HG# ) (resid  48 and name   HN )  3.0  1.2  0.5 ! A.916  at 5.86e+07
assign (resid  48 and name   HN ) (resid  49 and name  HD2 )  4.0  2.2  1.0 ! A.148  at 1.11e+07
assign (resid  48 and name   HN ) (resid  49 and name  HD1 )  4.0  2.2  1.0 ! A.147  at 1.52e+07
assign (resid  48 and name  HG# ) (resid  50 and name   HN )  4.0  2.2  2.0 ! A.1323 at 3.19e+06
assign (resid  48 and name  HG# ) (resid  50 and name HE21 )  4.0  2.2  1.0 ! A.1403 at 4.61e+06
assign (resid  48 and name  HG# ) (resid  50 and name HE22 )  4.0  2.2  2.0 ! A.1407 at 2.78e+06

! P49
assign (resid  49 and name  HB2 ) (resid  50 and name   HN )  3.0  1.2  0.5 ! A.839  at 4.16e+07
assign (resid  49 and name   HA ) (resid  50 and name   HN )  2.5  0.7  0.4 ! A.64   at 2.08e+08

! Q50
assign (resid  50 and name HE22 ) (resid  50 and name   HN )  4.0  2.2  2.0 ! A.1324 at 4.18e+06
assign (resid  50 and name  HB2 ) (resid  50 and name   HN )  3.0  1.2  0.5 ! A.838  at 7.19e+07
assign (resid  50 and name  HG# ) (resid  50 and name   HN )  3.0  1.2  0.5 ! A.840  at 6.56e+07
assign (resid  50 and name  HG# ) (resid  50 and name HE22 )  4.0  2.2  1.0 ! A.1406 at 3.04e+07
assign (resid  50 and name  HG# ) (resid  50 and name HE21 )  3.0  1.2  0.5 ! A.1402 at 5.16e+07
assign (resid  50 and name  HB1 ) (resid  50 and name HE21 )  4.0  2.2  1.0 ! A.1400 at 7.14e+06
assign (resid  50 and name   HA ) (resid  50 and name HE21 )  4.0  2.2  1.0 ! A.203  at 6.84e+06
assign (resid  50 and name  HB2 ) (resid  50 and name HE21 )  4.0  2.2  1.0 ! A.12   at 7.89e+06
assign (resid  50 and name   HA ) (resid  50 and name HE22 )  4.0  2.2  2.0 ! A.204  at 4.29e+06
assign (resid  50 and name  HB2 ) (resid  50 and name HE22 )  4.0  2.2  1.0 ! A.1398 at 5.11e+06
assign (resid  50 and name  HB1 ) (resid  50 and name HE22 )  4.0  2.2  2.0 ! A.1399 at 4.39e+06
assign (resid  50 and name   HN ) (resid  51 and name   HA )  4.0  2.2  2.0 ! A.847  at 3.58e+06
assign (resid  50 and name   HA ) (resid  51 and name   HN )  2.5  0.7  0.4 ! A.65   at 1.84e+08
assign (resid  50 and name  HG# ) (resid  51 and name   HN )  4.0  2.2  1.0 ! A.658  at 2.74e+07
assign (resid  50 and name  HB1 ) (resid  51 and name   HN )  3.0  1.2  0.5 ! A.657  at 8.78e+07
assign (resid  50 and name  HB2 ) (resid  51 and name   HN )  4.0  2.2  1.0 ! A.654  at 3.37e+07
assign (resid  50 and name HE22 ) (resid  66 and name HD2# )  4.0  2.2  2.5 ! A.1397 at 2.75e+06

! Y51
assign (resid  51 and name  HB1 ) (resid  51 and name   HN )  4.0  2.2  1.0 ! A.660  at 3.27e+07
assign (resid  51 and name  HB2 ) (resid  51 and name   HN )  3.0  1.2  0.5 ! A.659  at 5.55e+07
assign (resid  51 and name  HD# ) (resid  51 and name   HN )  3.0  1.2  0.5 ! A.663  at 4.42e+07
assign (resid  51 and name  HE# ) (resid  51 and name   HN )  4.0  2.2  1.0 ! A.1328 at 7.74e+06
assign (resid  51 and name   HN ) (resid  52 and name   HN )  4.0  2.2  1.0 ! A.1036 at 6.75e+06
assign (resid  51 and name   HA ) (resid  52 and name   HN )  2.5  0.7  0.4 ! A.67   at 1.52e+08
assign (resid  51 and name  HD# ) (resid  52 and name   HN )  4.0  2.2  1.0 ! A.1335 at 1.56e+07
assign (resid  51 and name   HN ) (resid  52 and name HD1# )  4.0  2.2  2.5 ! A.655  at 2.78e+06
assign (resid  51 and name   HN ) (resid  52 and name HD2# )  4.0  2.2  2.5 ! A.656  at 2.66e+06

! L52
assign (resid  52 and name HD1# ) (resid  52 and name   HN )  3.0  1.2  1.0 ! A.1018 at 3.45e+07
assign (resid  52 and name  HB2 ) (resid  52 and name   HN )  3.0  1.2  0.5 ! A.1023 at 6.33e+07
assign (resid  52 and name HD2# ) (resid  52 and name   HN )  4.0  2.2  1.5 ! A.1020 at 1.72e+07
assign (resid  52 and name HD1# ) (resid  53 and name   HN )  4.0  2.2  1.5 ! A.1070 at 9.45e+06
assign (resid  52 and name  HB1 ) (resid  53 and name   HN )  3.0  1.2  0.5 ! A.1203 at 4.30e+07
assign (resid  52 and name   HA ) (resid  53 and name   HN )  2.5  0.7  0.4 ! A.68   at 2.62e+08
assign (resid  52 and name   HG ) (resid  53 and name   HN )  4.0  2.2  1.0 ! A.1073 at 1.48e+07
assign (resid  52 and name   HN ) (resid  53 and name   HN )  4.0  2.2  1.0 ! A.1339 at 9.04e+06
assign (resid  52 and name  HB1 ) (resid  54 and name   HN )  4.0  2.2  2.0 ! A.1343 at 1.04e+07
assign (resid  52 and name HD2# ) (resid  53 and name   HN )  3.0  1.2  1.0 ! A.1071 at 3.95e+07

! D53
assign (resid  53 and name  HB1 ) (resid  53 and name   HN )  4.0  2.2  1.0 ! A.1076 at 5.47e+07
assign (resid  53 and name  HB2 ) (resid  53 and name   HN )  3.0  1.2  0.5 ! A.1074 at 9.93e+07
assign (resid  53 and name   HN ) (resid  54 and name   HN )  4.0  2.2  1.0 ! A.1098 at 9.58e+06
assign (resid  53 and name  HB1 ) (resid  54 and name   HN )  4.0  2.2  1.0 ! A.1089 at 2.56e+07
assign (resid  53 and name   HA ) (resid  54 and name   HN )  2.5  0.7  0.4 ! A.69   at 2.02e+08

! L54
assign (resid  54 and name  HG  ) (resid  54 and name   HN )  3.0  1.2  0.5 ! A.1653 at 7.44e+07
assign (resid  54 and name  HB2 ) (resid  54 and name   HN )  3.0  1.2  0.5 ! A.1344 at 7.44e+07
assign (resid  54 and name HD1# ) (resid  54 and name   HN )  3.0  1.2  1.0 ! A.1086 at 3.98e+07
assign (resid  54 and name  HB1 ) (resid  54 and name   HN )  4.0  2.2  1.0 ! A.1088 at 2.94e+07
assign (resid  54 and name   HN ) (resid  55 and name  HD1 )  4.0  2.2  1.0 ! A.150  at 5.55e+06
assign (resid  54 and name   HN ) (resid  55 and name  HD2 )  4.0  2.2  2.0 ! A.149  at 4.59e+06
assign (resid  54 and name  HB2 ) (resid  58 and name   HN )  4.0  2.2  1.0 ! A.1465 at 9.71e+06
assign (resid  54 and name  HB2 ) (resid  54 and name   HN )  3.0  1.2  0.5 ! A.1344 at 7.44e+07
assign (resid  54 and name HD1# ) (resid  58 and name   HN )  4.0  2.2  1.5 ! A.537  at 8.34e+06
assign (resid  54 and name HD2# ) (resid  59 and name   HN )  4.0  2.2  2.5 ! A.1476 at -3.66e+06
assign (resid  54 and name  HB2 ) (resid  60 and name   HN )  4.0  2.2  2.0 ! A.1478 at 3.68e+06
assign (resid  54 and name HD2# ) (resid  60 and name   HN )  4.0  2.2  1.5 ! A.553  at 1.30e+07
assign (resid  54 and name  HB1 ) (resid  60 and name   HN )  4.0  2.2  2.0 ! A.1479 at 2.78e+06
assign (resid  54 and name   HN ) (resid  79 and name HD1# )  4.0  2.2  2.5 ! A.1093 at 2.42e+06

! P55
assign (resid  55 and name   HA ) (resid  56 and name   HN )  2.5  0.7  0.4 ! A.207  at 1.47e+08
assign (resid  55 and name  HB2 ) (resid  56 and name   HN )  3.0  1.2  0.5 ! A.620  at 6.13e+07
assign (resid  55 and name  HB1 ) (resid  56 and name   HN )  3.0  1.2  0.5 ! A.621  at 3.44e+07
assign (resid  55 and name  HG2 ) (resid  56 and name   HN )  4.0  2.2  1.0 ! A.619  at 9.25e+06
assign (resid  55 and name  HB1 ) (resid  57 and name   HN )  4.0  2.2  1.0 ! A.566  at -1.92e+07
assign (resid  55 and name  HB2 ) (resid  57 and name   HN )  3.0  1.2  0.5 ! A.567  at -5.95e+07
assign (resid  55 and name   HA ) (resid  57 and name   HN )  4.0  2.2  1.0 ! A.373  at -1.13e+07
assign (resid  55 and name  HG2 ) (resid  57 and name   HN )  4.0  2.2  1.0 ! A.565  at -2.27e+07
assign (resid  55 and name  HB1 ) (resid  58 and name   HN )  4.0  2.2  2.0 ! A.542  at 4.50e+06
assign (resid  55 and name  HG2 ) (resid  58 and name   HN )  4.0  2.2  1.0 ! A.543  at 2.52e+07
assign (resid  55 and name  HG1 ) (resid  58 and name   HN )  4.0  2.2  1.0 ! A.1468 at 1.52e+07
assign (resid  55 and name  HB2 ) (resid  58 and name   HN )  4.0  2.2  1.0 ! A.541  at 1.52e+07
assign (resid  55 and name   HA ) (resid  58 and name   HN )  4.0  2.2  2.0 ! A.413  at 3.24e+06

! S56
assign (resid  56 and name   HA ) (resid  57 and name   HN )  4.0  2.2  1.0 ! A.371  at -2.47e+07
assign (resid  56 and name  HB2 ) (resid  57 and name   HN )  4.0  2.2  1.0 ! A.1462 at -1.14e+07
assign (resid  56 and name   HN ) (resid  57 and name   HN )  3.0  1.2  0.5 ! A.569  at -3.86e+07
assign (resid  56 and name   HN ) (resid  57 and name HG2# )  4.0  2.2  1.5 ! A.617  at 8.28e+06
assign (resid  56 and name   HN ) (resid  57 and name   HA )  4.0  2.2  2.0 ! A.1459 at 3.86e+06
assign (resid  56 and name   HA ) (resid  58 and name   HN )  4.0  2.2  1.0 ! A.410  at 2.59e+07
assign (resid  56 and name   HN ) (resid  58 and name   HN )  4.0  2.2  1.0 ! A.550  at 5.67e+06
assign (resid  56 and name   HN ) (resid  58 and name  HB# )  4.0  2.2  2.5 ! A.618  at 3.01e+06

! T57
assign (resid  57 and name   HB ) (resid  57 and name   HN )  4.0  2.2  1.0 ! A.374  at -1.63e+07
assign (resid  57 and name HG2# ) (resid  57 and name   HN )  3.0  1.2  1.0 ! A.563  at -8.97e+07
assign (resid  57 and name HG2# ) (resid  58 and name   HN )  4.0  2.2  1.5 ! A.538  at 1.36e+07
assign (resid  57 and name   HN ) (resid  58 and name   HN )  3.0  1.2  0.5 ! A.546  at 1.10e+08
assign (resid  57 and name   HA ) (resid  58 and name   HN )  3.0  1.2  0.5 ! A.411  at 3.43e+07
assign (resid  57 and name   HB ) (resid  58 and name   HN )  4.0  2.2  1.0 ! A.1470 at 6.32e+06
assign (resid  57 and name   HN ) (resid  58 and name  HB# )  4.0  2.2  1.5 ! A.564  at -1.76e+07
assign (resid  57 and name   HN ) (resid  58 and name   HA )  4.0  2.2  1.0 ! A.1463 at -1.39e+07

! A58
assign (resid  58 and name  HB# ) (resid  58 and name   HN )  2.5  0.7  0.9 ! A.539  at 2.44e+08
assign (resid  58 and name   HN ) (resid  59 and name HG2# )  4.0  2.2  1.5 ! A.536  at 5.51e+06
assign (resid  58 and name   HN ) (resid  59 and name   HA )  4.0  2.2  2.0 ! A.1469 at 2.85e+06
assign (resid  58 and name  HB# ) (resid  59 and name   HN )  3.0  1.2  1.0 ! A.589  at -4.37e+07
assign (resid  58 and name   HA ) (resid  59 and name   HN )  2.5  0.7  0.4 ! A.389  at -1.76e+08
assign (resid  58 and name   HN ) (resid  60 and name   HN )  4.0  2.2  2.0 ! A.549  at 3.75e+06
assign (resid  58 and name  HB# ) (resid  60 and name   HN )  3.0  1.2  1.0 ! A.554  at 6.74e+07
assign (resid  58 and name  HB# ) (resid  61 and name   HN )  4.0  2.2  2.5 ! A.1654 at 5.35e+06

! T59
assign (resid  59 and name HG2# ) (resid  59 and name   HN )  3.0  1.2  1.0 ! A.587  at -3.78e+07
assign (resid  59 and name   HB ) (resid  59 and name   HN )  4.0  2.2  1.0 ! A.591  at -1.22e+07
assign (resid  59 and name   HN ) (resid  60 and name   HN )  2.5  0.7  0.4 ! A.592  at -1.66e+08
assign (resid  59 and name   HB ) (resid  60 and name   HN )  4.0  2.2  1.0 ! A.191  at 1.03e+07
assign (resid  59 and name   HA ) (resid  60 and name   HN )  3.0  1.2  0.5 ! A.53   at 4.53e+07
assign (resid  59 and name HG2# ) (resid  60 and name   HN )  4.0  2.2  1.5 ! A.552  at 2.33e+07

! S60
assign (resid  60 and name  HB2 ) (resid  60 and name   HN )  4.0  2.2  1.0 ! A.556  at 1.86e+07
assign (resid  60 and name  HB1 ) (resid  60 and name   HN )  4.0  2.2  1.0 ! A.557  at 2.16e+07
assign (resid  60 and name  HB1 ) (resid  61 and name   HN )  4.0  2.2  1.0 ! A.255  at 3.32e+07
assign (resid  60 and name  HB2 ) (resid  61 and name   HN )  3.0  1.2  0.5 ! A.243  at 6.87e+07
assign (resid  60 and name   HN ) (resid  61 and name   HN )  4.0  2.2  1.0 ! A.712  at 1.34e+07
assign (resid  60 and name   HA ) (resid  61 and name   HN )  2.5  0.7  0.4 ! A.54   at 2.05e+08
assign (resid  60 and name   HN ) (resid  61 and name   HB )  4.0  2.2  1.0 ! A.555  at 5.40e+06

! V61
assign (resid  61 and name HG2# ) (resid  61 and name   HN )  4.0  2.2  1.5 ! A.1212 at 2.21e+07
assign (resid  61 and name HG1# ) (resid  61 and name   HN )  3.0  1.2  1.0 ! A.704  at 9.57e+07
assign (resid  61 and name   HB ) (resid  61 and name   HN )  4.0  2.2  1.0 ! A.699  at 2.60e+07
assign (resid  61 and name   HB ) (resid  62 and name   HN )  4.0  2.2  1.0 ! A.531  at 2.89e+07
assign (resid  61 and name   HA ) (resid  62 and name   HN )  2.5  0.7  0.4 ! A.55   at 2.69e+08
assign (resid  61 and name HG2# ) (resid  62 and name   HN )  3.0  1.2  1.0 ! A.1487 at 1.27e+08
assign (resid  61 and name HG1# ) (resid  62 and name   HN )  3.0  1.2  1.0 ! A.1490 at 8.60e+07
assign (resid  61 and name   HN ) (resid  62 and name   HN )  4.0  2.2  1.0 ! A.1492 at 1.16e+07
assign (resid  61 and name   HN ) (resid  62 and name   HA )  4.0  2.2  2.0 ! A.1485 at 4.43e+06
assign (resid  61 and name   HN ) (resid  63 and name HG12 )  4.0  2.2  2.0 ! A.705  at 3.88e+06
assign (resid  61 and name   HN ) (resid  63 and name HG11 )  4.0  2.2  2.0 ! A.706  at 3.66e+06
assign (resid  61 and name HG1# ) (resid  63 and name   HN )  4.0  2.2  1.5 ! A.474  at -1.54e+07

! N62
assign (resid  62 and name HD22 ) (resid  62 and name   HN )  4.0  2.2  2.0 ! A.524  at 3.53e+06
assign (resid  62 and name HD21 ) (resid  62 and name   HN )  4.0  2.2  2.0 ! A.523  at 3.58e+06
assign (resid  62 and name  HB1 ) (resid  62 and name   HN )  3.0  1.2  0.5 ! A.533  at 8.25e+07
assign (resid  62 and name  HB2 ) (resid  62 and name   HN )  3.0  1.2  0.5 ! A.532  at 7.45e+07
assign (resid  62 and name   HA ) (resid  62 and name HD21 )  4.0  2.2  1.0 ! A.176  at 5.21e+06
assign (resid  62 and name  HB2 ) (resid  62 and name HD21 )  4.0  2.2  1.0 ! A.1438 at 1.82e+07
assign (resid  62 and name  HB2 ) (resid  62 and name HD22 )  4.0  2.2  1.0 ! A.1439 at 1.29e+07
assign (resid  62 and name  HB1 ) (resid  62 and name HD21 )  4.0  2.2  1.0 ! A.1441 at 3.20e+07
assign (resid  62 and name  HB1 ) (resid  62 and name HD22 )  4.0  2.2  1.0 ! A.1440 at 2.48e+07
assign (resid  62 and name   HA ) (resid  62 and name HD22 )  4.0  2.2  2.0 ! A.177  at 4.52e+06
assign (resid  62 and name   HN ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.1493 at 1.16e+07
assign (resid  62 and name   HN ) (resid  63 and name HG12 )  4.0  2.2  2.0 ! A.534  at 4.12e+06
assign (resid  62 and name HD21 ) (resid  63 and name   HN )  4.0  2.2  2.0 ! A.1444 at 3.19e+06
assign (resid  62 and name  HB1 ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.471  at -9.51e+06
assign (resid  62 and name   HA ) (resid  63 and name   HN )  2.5  0.7  0.4 ! A.56   at -1.77e+08
assign (resid  62 and name  HB2 ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.472  at -1.18e+07
assign (resid  62 and name HD22 ) (resid  66 and name   HG )  4.0  2.2  2.0 ! A.1435 at 2.52e+06

! I63
assign (resid  63 and name HG11 ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.10   at -3.27e+07
assign (resid  63 and name HG12 ) (resid  63 and name   HN )  3.0  1.2  0.5 ! A.476  at -7.64e+07
assign (resid  63 and name   HB ) (resid  63 and name   HN )  3.0  1.2  0.5 ! A.475  at -8.64e+07
assign (resid  63 and name HG2# ) (resid  63 and name   HN )  4.0  2.2  1.5 ! A.7    at -1.50e+07
assign (resid  63 and name HD1# ) (resid  63 and name   HN )  4.0  2.2  1.5 ! A.9    at -1.70e+07
assign (resid  63 and name   HN ) (resid  64 and name  HD1 )  4.0  2.2  1.0 ! A.153  at -6.94e+06
assign (resid  63 and name   HN ) (resid  64 and name  HD2 )  4.0  2.2  2.0 ! A.151  at -2.78e+06
assign (resid  63 and name HG2# ) (resid  65 and name   HN )  4.0  2.2  1.5 ! A.17   at 1.60e+07
assign (resid  63 and name HG2# ) (resid  66 and name   HN )  4.0  2.2  1.5 ! A.1503 at 2.75e+07
assign (resid  63 and name   HN ) (resid  66 and name HD1# )  4.0  2.2  2.5 ! A.8    at -4.15e+06

! P64
assign (resid  64 and name  HB# ) (resid  65 and name   HN )  3.0  1.2  0.5 ! A.1498 at 8.64e+07
assign (resid  64 and name  HD2 ) (resid  65 and name   HN )  4.0  2.2  1.0 ! A.211  at 1.17e+07
assign (resid  64 and name   HA ) (resid  65 and name   HN )  2.5  0.7  0.4 ! A.214  at 1.61e+08
assign (resid  64 and name   HA ) (resid  66 and name   HN )  4.0  2.2  1.0 ! A.264  at 1.69e+07
assign (resid  64 and name  HB1 ) (resid  66 and name   HN )  4.0  2.2  2.0 ! A.1647 at 4.95e+07
assign (resid  64 and name  HD1 ) (resid  65 and name   HN )  4.0  2.2  2.0 ! A.220 at 6.19e+06

! D65
assign (resid  65 and name  HB1 ) (resid  65 and name   HN )  4.0  2.2  1.0 ! A.210  at 2.25e+07
assign (resid  65 and name  HB2 ) (resid  65 and name   HN )  4.0  2.2  1.0 ! A.209  at 2.35e+07
assign (resid  65 and name  HB1 ) (resid  66 and name   HN )  4.0  2.2  1.0 ! A.261  at 5.77e+06
assign (resid  65 and name  HB2 ) (resid  66 and name   HN )  4.0  2.2  1.0 ! A.260  at 6.12e+06
assign (resid  65 and name   HN ) (resid  66 and name   HN )  3.0  1.2  0.5 ! A.755  at 6.68e+07
assign (resid  65 and name   HA ) (resid  66 and name   HN )  3.0  1.2  0.5 ! A.263  at 1.01e+08
assign (resid  65 and name   HN ) (resid  66 and name   HG )  4.0  2.2  1.0 ! A.628  at 9.96e+06
assign (resid  65 and name   HN ) (resid  66 and name  HB2 )  4.0  2.2  1.0 ! A.629  at 5.76e+06

! L66
assign (resid  66 and name   HG ) (resid  66 and name   HN )  3.0  1.2  0.5 ! A.747  at 1.26e+08
assign (resid  66 and name  HB2 ) (resid  66 and name   HN )  3.0  1.2  0.5 ! A.748  at 9.19e+07
assign (resid  66 and name HD1# ) (resid  66 and name   HN )  4.0  2.2  1.5 ! A.22   at 2.57e+07
assign (resid  66 and name HD2# ) (resid  66 and name   HN )  4.0  2.2  1.5 ! A.1502 at 3.29e+07
assign (resid  66 and name   HA ) (resid  67 and name   HN )  3.0  1.2  0.5 ! A.365  at 1.07e+08
assign (resid  66 and name HD1# ) (resid  67 and name   HN )  4.0  2.2  1.5 ! A.34   at 1.15e+07
assign (resid  66 and name HD2# ) (resid  67 and name   HN )  4.0  2.2  1.5 ! A.35   at 3.04e+07
assign (resid  66 and name   HN ) (resid  67 and name   HN )  4.0  2.2  1.0 ! A.1065 at 1.16e+07
assign (resid  66 and name  HB1 ) (resid  67 and name   HN )  3.0  1.2  0.5 ! A.1061 at 7.13e+07
assign (resid  66 and name   HN ) (resid  67 and name   HG )  4.0  2.2  2.0 ! A.1644 at 5.25e+06

! L67
assign (resid  67 and name  HB1 ) (resid  67 and name   HN )  3.0  1.2  0.5 ! A.1062 at 4.48e+07
assign (resid  67 and name HD2# ) (resid  67 and name   HN )  3.0  1.2  1.0 ! A.1060 at 4.96e+07
assign (resid  67 and name   HN ) (resid  68 and name  HD1 )  4.0  2.2  1.0 ! A.155  at 7.68e+06
assign (resid  67 and name   HN ) (resid  68 and name  HD2 )  4.0  2.2  1.0 ! A.154  at 7.87e+06
assign (resid  67 and name  HB2 ) (resid  70 and name   HN )  4.0  2.2  1.0 ! A.824  at 4.63e+06
assign (resid  67 and name  HD* ) (resid  70 and name   HN )  4.0  2.2  2.5 ! A.818  at 3.03e+06
assign (resid  67 and name   HN ) (resid  72 and name  HE# )  3.0  1.2  0.5 ! A.1507 at 3.87e+07

! P68
assign (resid  68 and name  HG# ) (resid  69 and name   HN )  4.0  2.2  1.0 ! A.1510 at 7.01e+06
assign (resid  68 and name   HA ) (resid  69 and name   HN )  3.0  1.2  0.5 ! A.178  at 1.16e+08
assign (resid  68 and name  HB2 ) (resid  69 and name   HN )  4.0  2.2  1.0 ! A.605  at 2.49e+07
assign (resid  68 and name  HB1 ) (resid  69 and name   HN )  4.0  2.2  1.0 ! A.606  at 1.98e+07
assign (resid  68 and name  HD2 ) (resid  69 and name   HN )  4.0  2.2  2.0 ! A.1192 at 8.04e+06
assign (resid  68 and name  HD2 ) (resid  70 and name   HN )  4.0  2.2  2.0 ! A.1513 at 2.95e+06
assign (resid  68 and name   HA ) (resid  70 and name   HN )  4.0  2.2  1.0 ! A.273  at 1.74e+07
assign (resid  68 and name  HB2 ) (resid  70 and name   HN )  4.0  2.2  2.0 ! A.823  at 3.51e+06

! G69
assign (resid  69 and name  HA# ) (resid  70 and name   HN )  3.0  1.2  0.5 ! A.274  at 5.23e+07
assign (resid  69 and name   HN ) (resid  70 and name   HN )  3.0  1.2  0.5 ! A.828  at 5.20e+07
assign (resid  69 and name   HN ) (resid  70 and name  HB# )  4.0  2.2  2.0 ! A.604  at 3.65e+06
assign (resid  69 and name   HN ) (resid  70 and name  HG# )  4.0  2.2  1.0 ! A.603  at 6.39e+06
assign (resid  69 and name   HN ) (resid  94 and name HG2# )  4.0  2.2  2.5 ! A.1509 at 3.36e+06
assign (resid  69 and name  HA# ) (resid  95 and name   HN )  4.0  2.2  2.0 ! A.360  at 4.47e+06
assign (resid  69 and name   HN ) (resid  95 and name   HA )  4.0  2.2  2.0 ! A.180  at 8.01e+06
assign (resid  69 and name   HN ) (resid  95 and name HG2# )  4.0  2.2  1.5 ! A.602  at 9.45e+06
assign (resid  69 and name   HN ) (resid  95 and name   HN )  4.0  2.2  2.0 ! A.608  at 4.56e+06

! R70
assign (resid  70 and name  HD2 ) (resid  70 and name   HN )  4.0  2.2  1.0 ! A.275  at 5.71e+06
assign (resid  70 and name  HB# ) (resid  70 and name   HN )  3.0  1.2  0.5 ! A.821  at 6.80e+07
assign (resid  70 and name  HG# ) (resid  70 and name   HN )  3.0  1.2  0.5 ! A.820  at 4.02e+07
assign (resid  70 and name   HA ) (resid  71 and name   HN )  2.5  0.7  0.4 ! A.96   at 2.20e+08
assign (resid  70 and name  HB# ) (resid  71 and name   HN )  3.0  1.2  0.5 ! A.893  at 1.25e+08
assign (resid  70 and name  HD# ) (resid  71 and name   HN )  4.0  2.2  1.0 ! A.1522 at 1.62e+07
assign (resid  70 and name   HA ) (resid  72 and name   HN )  4.0  2.2  2.0 ! A.1529 at 9.14e+06
assign (resid  70 and name   HN ) (resid  72 and name  HE# )  4.0  2.2  1.0 ! A.1516 at 1.04e+07
assign (resid  70 and name   HN ) (resid  94 and name   HA )  4.0  2.2  1.0 ! A.272  at 7.32e+06
assign (resid  70 and name   HN ) (resid  94 and name HG2# )  4.0  2.2  1.5 ! A.825  at 8.15e+06
assign (resid  70 and name  HB# ) (resid  95 and name   HN )  4.0  2.2  2.0 ! A.1568 at 4.07e+06
assign (resid  70 and name   HN ) (resid  95 and name   HN )  4.0  2.2  1.0 ! A.1133 at 2.79e+07
assign (resid  70 and name   HN ) (resid  95 and name   HA )  4.0  2.2  2.0 ! A.276  at 3.80e+06
assign (resid  70 and name   HN ) (resid  95 and name HG2# )  4.0  2.2  1.5 ! A.819  at 1.25e+07

! K71
assign (resid  71 and name  HG2 ) (resid  71 and name   HN )  4.0  2.2  1.0 ! A.890  at 1.21e+07
assign (resid  71 and name  HB1 ) (resid  71 and name   HN )  3.0  1.2  0.5 ! A.894  at 8.24e+07
assign (resid  71 and name  HB2 ) (resid  71 and name   HN )  3.0  1.2  0.5 ! A.1520 at 7.31e+07
assign (resid  71 and name  HG1 ) (resid  71 and name   HN )  4.0  2.2  1.5 ! A.891  at 1.49e+07
assign (resid  71 and name  HG2 ) (resid  72 and name   HN )  4.0  2.2  1.0 ! A.1178 at 2.24e+07
assign (resid  71 and name  HB1 ) (resid  72 and name   HN )  4.0  2.2  1.0 ! A.1181 at 1.06e+07
assign (resid  71 and name  HG1 ) (resid  72 and name   HN )  4.0  2.2  1.0 ! A.1179 at 2.82e+07
assign (resid  71 and name   HA ) (resid  72 and name   HN )  2.5  0.7  0.4 ! A.95   at 1.54e+08
assign (resid  71 and name   HN ) (resid  72 and name   HN )  4.0  2.2  1.0 ! A.135  at 6.10e+06
assign (resid  71 and name  HB2 ) (resid  72 and name   HN )  4.0  2.2  1.0 ! A.1180 at 1.74e+07
assign (resid  71 and name   HN ) (resid  72 and name  HE# )  4.0  2.2  1.0 ! A.1523 at 6.97e+06
assign (resid  71 and name   HN ) (resid  72 and name   HA )  4.0  2.2  2.0 ! A.897  at 2.59e+06
assign (resid  71 and name  HG2 ) (resid  93 and name   HN )  4.0  2.2  1.0 ! A.981  at 1.66e+07
assign (resid  71 and name   HA ) (resid  93 and name   HN )  4.0  2.2  1.0 ! A.338  at 1.13e+07
assign (resid  71 and name   HN ) (resid  94 and name   HA )  4.0  2.2  1.0 ! A.302  at 5.53e+06
assign (resid  71 and name   HA ) (resid  94 and name   HN )  4.0  2.2  1.0 ! A.1636 at 7.58e+06
assign (resid  71 and name  HB2 ) (resid  95 and name   HN )  4.0  2.2  2.0 ! A.1569 at 4.05e+06
assign (resid  71 and name   HA ) (resid  95 and name   HN )  4.0  2.2  1.0 ! A.1572 at 3.39e+07

! Y72
assign (resid  72 and name  HD# ) (resid  72 and name   HN )  3.0  1.2  0.5 ! A.1531 at 3.68e+07
assign (resid  72 and name  HB2 ) (resid  72 and name   HN )  3.0  1.2  0.5 ! A.1526 at 5.22e+07
assign (resid  72 and name   HN ) (resid  73 and name   HA )  4.0  2.2  2.0 ! A.403  at 4.36e+06
assign (resid  72 and name   HA ) (resid  73 and name   HN )  2.5  0.7  0.4 ! A.94   at 1.86e+08
assign (resid  72 and name  HD# ) (resid  73 and name   HN )  4.0  2.2  1.0 ! A.1336 at 1.78e+07
assign (resid  72 and name  HB1 ) (resid  73 and name   HN )  3.0  1.2  0.5 ! A.1027 at 5.49e+07
assign (resid  72 and name   HN ) (resid  74 and name HG2# )  4.0  2.2  2.5 ! A.1177 at 3.05e+06
assign (resid  72 and name   HN ) (resid  92 and name   HA )  4.0  2.2  1.0 ! A.405  at 4.82e+06
assign (resid  72 and name   HN ) (resid  93 and name   HN )  4.0  2.2  1.0 ! A.127  at 2.65e+07
assign (resid  72 and name  HB2 ) (resid  93 and name   HN )  4.0  2.2  1.0 ! A.985  at 1.25e+07
assign (resid  72 and name  HD# ) (resid  93 and name   HN )  4.0  2.2  2.0 ! A.1633 at 4.50e+06
assign (resid  72 and name   HA ) (resid  93 and name   HN )  4.0  2.2  2.0 ! A.1631 at 3.09e+06
assign (resid  72 and name   HN ) (resid  94 and name   HA )  4.0  2.2  1.0 ! A.128  at 2.44e+07
assign (resid  72 and name  HD# ) (resid  95 and name   HN )  4.0  2.2  1.0 ! A.1578 at 8.78e+06

! I73
assign (resid  73 and name HG11 ) (resid  73 and name   HN )  4.0  2.2  1.0 ! A.1021 at 2.20e+07
assign (resid  73 and name   HB ) (resid  73 and name   HN )  3.0  1.2  0.5 ! A.1024 at 8.63e+07
assign (resid  73 and name HG12 ) (resid  73 and name   HN )  4.0  2.2  1.0 ! A.1022 at 2.35e+07
assign (resid  73 and name HG11 ) (resid  74 and name   HN )  4.0  2.2  1.0 ! A.482  at 7.72e+06
assign (resid  73 and name HG2# ) (resid  74 and name   HN )  3.0  1.2  1.0 ! A.481  at 5.93e+07
assign (resid  73 and name   HA ) (resid  74 and name   HN )  2.5  0.7  0.4 ! A.112  at 2.14e+08
assign (resid  73 and name HG12 ) (resid  74 and name   HN )  4.0  2.2  1.0 ! A.478  at 6.92e+06
assign (resid  73 and name   HN ) (resid  74 and name   HN )  4.0  2.2  1.0 ! A.485  at 1.26e+07
assign (resid  73 and name HG2# ) (resid  75 and name   HN )  4.0  2.2  1.5 ! A.1532 at 1.25e+07
assign (resid  73 and name HG2# ) (resid  75 and name HD22 )  3.0  1.2  1.0 ! A.1383 at 4.68e+07
assign (resid  73 and name HG2# ) (resid  75 and name HD21 )  4.0  2.2  1.5 ! A.1382 at 2.91e+07
assign (resid  73 and name   HB ) (resid  75 and name HD22 )  4.0  2.2  2.0 ! A.1388 at 4.38e+06
assign (resid  73 and name   HB ) (resid  75 and name HD21 )  4.0  2.2  2.0 ! A.1387 at 2.61e+06
assign (resid  73 and name   HA ) (resid  91 and name   HN )  4.0  2.2  1.0 ! A.343  at 9.73e+06
assign (resid  73 and name HG2# ) (resid  92 and name   HN )  4.0  2.2  2.5 ! A.1623 at 3.35e+06
assign (resid  73 and name HG2# ) (resid  93 and name   HN )  4.0  2.2  1.5 ! A.1628 at 5.48e+06

! V74
assign (resid  74 and name   HB ) (resid  74 and name   HN )  3.0  1.2  0.5 ! A.477  at 7.72e+07
assign (resid  74 and name HG2# ) (resid  74 and name   HN )  3.0  1.2  1.0 ! A.480  at 6.71e+07
assign (resid  74 and name   HB ) (resid  75 and name   HN )  4.0  2.2  1.0 ! A.1154 at 8.56e+06
assign (resid  74 and name   HN ) (resid  75 and name   HN )  4.0  2.2  1.0 ! A.132  at 5.04e+06
assign (resid  74 and name HG1# ) (resid  75 and name   HN )  3.0  1.2  1.0 ! A.1151 at 6.19e+07
assign (resid  74 and name   HA ) (resid  75 and name   HN )  2.5  0.7  0.4 ! A.93   at 1.89e+08
assign (resid  74 and name HG1# ) (resid  75 and name HD21 )  4.0  2.2  1.5 ! A.1386 at 5.12e+06
assign (resid  74 and name HG1# ) (resid  75 and name HD22 )  4.0  2.2  1.5 ! A.1384 at 6.47e+06
assign (resid  74 and name HG1# ) (resid  76 and name   HN )  4.0  2.2  1.5 ! A.1536 at 1.61e+07
assign (resid  74 and name   HN ) (resid  91 and name HG2# )  4.0  2.2  1.5 ! A.479  at 1.95e+07
assign (resid  74 and name   HN ) (resid  91 and name   HN )  3.0  1.2  0.5 ! A.113  at 3.79e+07
assign (resid  74 and name   HB ) (resid  91 and name   HN )  4.0  2.2  1.0 ! A.1003 at 2.06e+07
assign (resid  74 and name   HN ) (resid  92 and name  HB2 )  4.0  2.2  1.0 ! A.406  at 9.06e+06
assign (resid  74 and name   HN ) (resid  92 and name   HA )  3.0  1.2  0.5 ! A.120  at 4.26e+07
assign (resid  74 and name   HB ) (resid  92 and name   HN )  4.0  2.2  2.0 ! A.1625 at 3.69e+06
assign (resid  74 and name   HN ) (resid  93 and name   HN )  4.0  2.2  1.0 ! A.486  at 1.29e+07
assign (resid  74 and name   HB ) (resid  93 and name   HN )  4.0  2.2  2.0 ! A.984  at 4.34e+06
assign (resid  74 and name HG2# ) (resid  93 and name   HN )  4.0  2.2  1.5 ! A.980  at 1.39e+07
assign (resid  74 and name HG2# ) (resid  93 and name HE21 )  4.0  2.2  1.5 ! A.1423 at 9.28e+06
assign (resid  74 and name HG2# ) (resid  93 and name HE22 )  4.0  2.2  1.5 ! A.1426 at 5.82e+06

! N75
assign (resid  75 and name HD21 ) (resid  75 and name   HN )  4.0  2.2  1.0 ! A.1161 at 6.50e+06
assign (resid  75 and name  HB1 ) (resid  75 and name   HN )  4.0  2.2  1.0 ! A.1155 at 3.10e+07
assign (resid  75 and name  HB2 ) (resid  75 and name   HN )  3.0  1.2  0.5 ! A.1157 at 4.21e+07
assign (resid  75 and name HD22 ) (resid  75 and name   HN )  4.0  2.2  1.0 ! A.1163 at 5.56e+06
assign (resid  75 and name  HB1 ) (resid  75 and name HD22 )  4.0  2.2  1.0 ! A.1389 at 2.60e+07
assign (resid  75 and name   HA ) (resid  75 and name HD21 )  4.0  2.2  1.0 ! A.1395 at 4.71e+06
assign (resid  75 and name  HB2 ) (resid  75 and name HD22 )  3.0  1.2  0.5 ! A.1391 at 3.86e+07
assign (resid  75 and name  HB2 ) (resid  75 and name HD21 )  3.0  1.2  0.5 ! A.1392 at 5.17e+07
assign (resid  75 and name  HB1 ) (resid  75 and name HD21 )  3.0  1.2  0.5 ! A.1394 at 3.84e+07
assign (resid  75 and name   HA ) (resid  75 and name HD22 )  4.0  2.2  2.0 ! A.1396 at 4.13e+06
assign (resid  75 and name   HN ) (resid  76 and name HG2# )  4.0  2.2  1.5 ! A.1207 at 5.41e+06
assign (resid  75 and name   HN ) (resid  76 and name   HN )  4.0  2.2  1.0 ! A.133  at 5.16e+06
assign (resid  75 and name   HA ) (resid  76 and name   HN )  2.5  0.7  0.4 ! A.111  at 1.45e+08
assign (resid  75 and name  HB2 ) (resid  76 and name   HN )  4.0  2.2  1.0 ! A.951  at 1.08e+07
assign (resid  75 and name  HB1 ) (resid  76 and name   HN )  4.0  2.2  1.0 ! A.950  at 2.31e+07
assign (resid  75 and name   HN ) (resid  77 and name  HE# )  4.0  2.2  1.0 ! A.1535 at 5.36e+06
assign (resid  75 and name   HN ) (resid  87 and name HD1# )  4.0  2.2  2.5 ! A.1153 at 3.33e+06
assign (resid  75 and name HD22 ) (resid  87 and name HD1# )  4.0  2.2  1.5 ! A.1381 at 5.83e+06
assign (resid  75 and name HD21 ) (resid  87 and name HD1# )  4.0  2.2  1.5 ! A.18   at 7.58e+06
assign (resid  75 and name   HA ) (resid  89 and name   HN )  4.0  2.2  1.0 ! A.159  at 6.81e+06
assign (resid  75 and name   HA ) (resid  90 and name   HN )  4.0  2.2  2.0 ! A.1620 at 4.36e+06
assign (resid  75 and name   HA ) (resid  91 and name   HN )  4.0  2.2  1.0 ! A.119  at 1.78e+07

! V76
assign (resid  76 and name HG1# ) (resid  76 and name   HN )  4.0  2.2  1.5 ! A.28   at 1.37e+07
assign (resid  76 and name HG2# ) (resid  76 and name   HN )  3.0  1.2  1.0 ! A.30   at 4.60e+07
assign (resid  76 and name   HB ) (resid  76 and name   HN )  3.0  1.2  0.5 ! A.949  at 5.22e+07
assign (resid  76 and name   HB ) (resid  77 and name   HN )  4.0  2.2  1.0 ! A.1141 at 9.26e+06
assign (resid  76 and name HG1# ) (resid  77 and name   HN )  3.0  1.2  1.0 ! A.38   at 3.78e+07
assign (resid  76 and name   HA ) (resid  77 and name   HN )  3.0  1.2  0.5 ! A.99   at 1.37e+08
assign (resid  76 and name HG2# ) (resid  77 and name   HN )  4.0  2.2  1.5 ! A.1138 at 1.41e+07
assign (resid  76 and name   HN ) (resid  77 and name   HA )  4.0  2.2  2.0 ! A.329  at 3.14e+06
assign (resid  76 and name   HN ) (resid  77 and name   HN )  4.0  2.2  1.0 ! A.958  at 7.64e+06
assign (resid  76 and name   HN ) (resid  77 and name  HE# )  4.0  2.2  2.0 ! A.1545 at 2.86e+06
assign (resid  76 and name   HB ) (resid  78 and name   HN )  4.0  2.2  2.0 ! A.1000 at 2.89e+06
assign (resid  76 and name HG1# ) (resid  78 and name   HN )  4.0  2.2  2.5 ! A.32   at 3.81e+06
assign (resid  76 and name   HN ) (resid  87 and name   HA )  4.0  2.2  1.0 ! A.952  at 6.12e+06
assign (resid  76 and name   HN ) (resid  87 and name HD1# )  3.0  1.2  1.0 ! A.29   at 4.20e+07
assign (resid  76 and name HG1# ) (resid  88 and name   HN )  4.0  2.2  1.5 ! A.31   at 6.07e+06
assign (resid  76 and name HG2# ) (resid  88 and name   HN )  4.0  2.2  2.5 ! A.973  at 4.52e+06
assign (resid  76 and name   HB ) (resid  88 and name   HN )  4.0  2.2  1.0 ! A.968  at 7.90e+06
assign (resid  76 and name   HN ) (resid  88 and name HG12 )  4.0  2.2  1.0 ! A.946  at 1.34e+07
assign (resid  76 and name   HN ) (resid  88 and name HG11 )  4.0  2.2  1.0 ! A.947  at 1.41e+07
assign (resid  76 and name HG2# ) (resid  89 and name   HN )  4.0  2.2  1.5 ! A.987  at 1.01e+07
assign (resid  76 and name HG1# ) (resid  89 and name   HN )  4.0  2.2  1.5 ! A.33   at 7.92e+06
assign (resid  76 and name   HB ) (resid  89 and name   HN )  4.0  2.2  1.0 ! A.995  at 3.35e+07
assign (resid  76 and name   HN ) (resid  89 and name   HN )  4.0  2.2  1.0 ! A.956  at 3.22e+07
assign (resid  76 and name   HN ) (resid  89 and name  HB2 )  4.0  2.2  1.0 ! A.1539 at 6.22e+06
assign (resid  76 and name   HN ) (resid  89 and name  HB1 )  4.0  2.2  1.0 ! A.948  at 2.45e+07
assign (resid  76 and name   HN ) (resid  90 and name   HN )  4.0  2.2  2.0 ! A.1546 at 3.34e+06
assign (resid  76 and name   HN ) (resid  90 and name   HA )  3.0  1.2  0.5 ! A.1543 at 3.44e+07
assign (resid  76 and name   HN ) (resid  90 and name  HB# )  4.0  2.2  2.0 ! A.324  at 4.02e+06
assign (resid  76 and name HG2# ) (resid  91 and name   HN )  4.0  2.2  2.5 ! A.146  at 3.62e+06
assign (resid  76 and name   HN ) (resid  91 and name   HN )  4.0  2.2  1.0 ! A.1547 at 9.72e+06

! Y77
assign (resid  77 and name  HD# ) (resid  77 and name   HN )  3.0  1.2  0.5 ! A.1550 at 4.39e+07
assign (resid  77 and name  HB2 ) (resid  77 and name   HN )  3.0  1.2  0.5 ! A.1143 at 3.80e+07
assign (resid  77 and name  HB1 ) (resid  77 and name   HN )  4.0  2.2  1.0 ! A.1144 at 2.34e+07
assign (resid  77 and name   HN ) (resid  78 and name   HN )  4.0  2.2  1.0 ! A.1149 at 1.76e+07
assign (resid  77 and name  HB2 ) (resid  78 and name   HN )  4.0  2.2  1.0 ! A.999  at 1.56e+07
assign (resid  77 and name   HA ) (resid  78 and name   HN )  2.5  0.7  0.4 ! A.110  at 1.58e+08
assign (resid  77 and name  HB1 ) (resid  78 and name   HN )  4.0  2.2  1.0 ! A.998  at 3.01e+07
assign (resid  77 and name  HD# ) (resid  78 and name   HN )  4.0  2.2  1.0 ! A.1560 at 1.17e+07
assign (resid  77 and name  HB1 ) (resid  85 and name HE21 )  4.0  2.2  2.0 ! A.1375 at -2.95e+06
assign (resid  77 and name  HD# ) (resid  85 and name HE21 )  4.0  2.2  1.0 ! A.1378 at -1.02e+07
assign (resid  77 and name  HD# ) (resid  85 and name HE22 )  4.0  2.2  1.0 ! A.1379 at -9.61e+06
assign (resid  77 and name  HB2 ) (resid  86 and name   HN )  4.0  2.2  1.0 ! A.698  at 1.16e+07
assign (resid  77 and name  HB1 ) (resid  86 and name   HN )  4.0  2.2  1.0 ! A.697  at 2.52e+07
assign (resid  77 and name   HN ) (resid  86 and name   HN )  4.0  2.2  2.0 ! A.1608 at 3.11e+06
assign (resid  77 and name  HD# ) (resid  86 and name   HN )  4.0  2.2  1.0 ! A.1604 at 1.62e+07
assign (resid  77 and name   HN ) (resid  87 and name   HA )  4.0  2.2  2.0 ! A.1146 at 3.40e+06
assign (resid  77 and name   HN ) (resid  87 and name HD1# )  4.0  2.2  2.5 ! A.1137 at 2.73e+06
assign (resid  77 and name   HA ) (resid  87 and name   HN )  4.0  2.2  2.0 ! A.443  at -3.65e+06
assign (resid  77 and name  HE# ) (resid  87 and name   HN )  4.0  2.2  1.0 ! A.1612 at -8.09e+06
assign (resid  77 and name  HD# ) (resid  87 and name   HN )  4.0  2.2  1.0 ! A.1611 at -8.09e+06
assign (resid  77 and name  HB2 ) (resid  88 and name   HN )  4.0  2.2  2.0 ! A.964  at 3.48e+06
assign (resid  77 and name  HB1 ) (resid  88 and name   HN )  4.0  2.2  2.0 ! A.965  at 2.73e+06
assign (resid  77 and name   HA ) (resid  88 and name   HN )  3.0  1.2  0.5 ! A.333  at 3.73e+07
assign (resid  77 and name  HD# ) (resid  88 and name   HN )  4.0  2.2  1.0 ! A.1614 at 5.97e+06
assign (resid  77 and name   HA ) (resid  89 and name   HN )  4.0  2.2  1.0 ! A.160  at 8.43e+06

! Q78
assign (resid  78 and name HE21 ) (resid  78 and name   HN )  4.0  2.2  1.0 ! A.1014 at 4.62e+06
assign (resid  78 and name  HB# ) (resid  78 and name HE21 )  3.0  1.2  0.5 ! A.1453 at 5.65e+07
assign (resid  78 and name  HB# ) (resid  78 and name HE22 )  3.0  1.2  0.5 ! A.1452 at 4.06e+07
assign (resid  78 and name   HN ) (resid  79 and name   HN )  4.0  2.2  1.0 ! A.501  at 5.38e+06
assign (resid  78 and name   HA ) (resid  79 and name   HN )  2.5  0.7  0.4 ! A.104  at 1.63e+08
assign (resid  78 and name  HG1 ) (resid  80 and name   HN )  4.0  2.2  1.0 ! A.1564 at 7.08e+06
assign (resid  78 and name   HN ) (resid  85 and name   HA )  4.0  2.2  1.0 ! A.1008 at 1.05e+07
assign (resid  78 and name  HG2 ) (resid  86 and name   HN )  4.0  2.2  1.0 ! A.1600 at 2.78e+07
assign (resid  78 and name   HN ) (resid  86 and name  HB1 )  4.0  2.2  1.0 ! A.1557 at 4.74e+06
assign (resid  78 and name   HN ) (resid  86 and name   HN )  3.0  1.2  0.5 ! A.1012 at 4.00e+07
assign (resid  78 and name   HA ) (resid  86 and name   HN )  4.0  2.2  1.0 ! A.1602 at 3.12e+07
assign (resid  78 and name   HN ) (resid  87 and name   HA )  4.0  2.2  1.0 ! A.1559 at 1.76e+07
assign (resid  78 and name   HN ) (resid  88 and name   HN )  4.0  2.2  1.0 ! A.960  at 1.15e+07
assign (resid  78 and name HE22 ) (resid  88 and name HG2# )  4.0  2.2  1.5 ! A.1447 at 1.23e+07
assign (resid  78 and name HE21 ) (resid  88 and name HG2# )  4.0  2.2  1.5 ! A.1448 at 1.13e+07
assign (resid  78 and name   HN ) (resid  89 and name   HN )  4.0  2.2  2.0 ! A.1617 at 2.57e+06

! I79
assign (resid  79 and name HG11 ) (resid  79 and name   HN )  4.0  2.2  1.0 ! A.490  at 3.16e+07
assign (resid  79 and name HG2# ) (resid  79 and name   HN )  4.0  2.2  1.5 ! A.488  at 2.25e+07
assign (resid  79 and name   HB ) (resid  79 and name   HN )  3.0  1.2  0.5 ! A.491  at 7.40e+07
assign (resid  79 and name HG12 ) (resid  79 and name   HN )  3.0  1.2  0.5 ! A.489  at 3.46e+07
assign (resid  79 and name   HN ) (resid  80 and name   HN )  4.0  2.2  1.0 ! A.498  at 1.06e+07
assign (resid  79 and name HG11 ) (resid  80 and name   HN )  4.0  2.2  1.0 ! A.1122 at 8.53e+06
assign (resid  79 and name   HB ) (resid  80 and name   HN )  4.0  2.2  1.0 ! A.1118 at 1.19e+07
assign (resid  79 and name   HA ) (resid  80 and name   HN )  2.5  0.7  0.4 ! A.109  at 2.62e+08
assign (resid  79 and name HD1# ) (resid  80 and name   HN )  4.0  2.2  1.5 ! A.1115 at 1.13e+07
assign (resid  79 and name HG2# ) (resid  80 and name   HN )  3.0  1.2  1.0 ! A.1116 at 6.95e+07
assign (resid  79 and name HG12 ) (resid  80 and name   HN )  4.0  2.2  2.0 ! A.1117 at 8.37e+06
assign (resid  79 and name HG2# ) (resid  83 and name   HN )  3.0  1.2  1.0 ! A.580  at -3.54e+07
assign (resid  79 and name HG2# ) (resid  84 and name   HN )  4.0  2.2  1.5 ! A.874  at 1.87e+07
assign (resid  79 and name   HN ) (resid  85 and name  HB# )  4.0  2.2  2.0 ! A.493  at 2.65e+06
assign (resid  79 and name HG12 ) (resid  85 and name HE21 )  4.0  2.2  2.0 ! A.1366 at -2.35e+06
assign (resid  79 and name HD1# ) (resid  85 and name HE22 )  4.0  2.2  2.5 ! A.1363 at -4.41e+06
assign (resid  79 and name HG12 ) (resid  85 and name HE22 )  4.0  2.2  2.0 ! A.1365 at -2.40e+06
assign (resid  79 and name HG2# ) (resid  85 and name HE21 )  4.0  2.2  2.5 ! A.1364 at -2.29e+06
assign (resid  79 and name HD1# ) (resid  85 and name HE21 )  4.0  2.2  1.5 ! A.1362 at -4.66e+06
assign (resid  79 and name HD1# ) (resid  85 and name   HN )  4.0  2.2  2.5 ! A.1598 at 2.37e+06
assign (resid  79 and name HG2# ) (resid  85 and name   HN )  4.0  2.2  2.5 ! A.1595 at 2.69e+06
assign (resid  79 and name HG2# ) (resid  86 and name   HN )  4.0  2.2  2.5 ! A.693  at 3.82e+06
assign (resid  79 and name HD1# ) (resid  86 and name   HN )  4.0  2.2  2.5 ! A.692  at 7.39e+06
assign (resid  79 and name   HN ) (resid  86 and name   HN )  4.0  2.2  2.0 ! A.1607 at 3.31e+06

! S80
assign (resid  80 and name  HB2 ) (resid  80 and name   HN )  3.0  1.2  0.5 ! A.355  at 4.31e+07
assign (resid  80 and name  HB1 ) (resid  80 and name   HN )  3.0  1.2  0.5 ! A.354  at 5.97e+07
assign (resid  80 and name  HB2 ) (resid  81 and name   HN )  4.0  2.2  1.0 ! A.1570 at 2.86e+07
assign (resid  80 and name   HA ) (resid  81 and name   HN )  3.0  1.2  0.5 ! A.1573 at 3.76e+07
assign (resid  80 and name   HN ) (resid  82 and name   HN )  4.0  2.2  1.0 ! A.1567 at 7.77e+06
assign (resid  80 and name  HB2 ) (resid  82 and name   HN )  4.0  2.2  1.0 ! A.238  at 1.31e+07
assign (resid  80 and name   HN ) (resid  83 and name   HN )  4.0  2.2  1.0 ! A.586  at -9.40e+06
assign (resid  80 and name   HA ) (resid  83 and name   HN )  4.0  2.2  2.0 ! A.584  at -4.58e+06
assign (resid  80 and name   HN ) (resid  83 and name  HA2 )  4.0  2.2  2.0 ! A.353  at 4.60e+06
assign (resid  80 and name   HN ) (resid  84 and name   HN )  4.0  2.2  1.0 ! A.1112 at 2.62e+07
assign (resid  80 and name   HN ) (resid  84 and name  HB# )  4.0  2.2  1.0 ! A.1120 at 1.67e+07
assign (resid  80 and name  HB1 ) (resid  84 and name   HN )  4.0  2.2  1.0 ! A.320  at 1.82e+07
assign (resid  80 and name  HB2 ) (resid  84 and name   HN )  4.0  2.2  1.0 ! A.1592 at 1.23e+07
assign (resid  80 and name   HN ) (resid  85 and name   HA )  4.0  2.2  1.0 ! A.356  at 2.71e+07
assign (resid  80 and name   HN ) (resid  85 and name  HB# )  4.0  2.2  2.0 ! A.1119 at 4.79e+06
assign (resid  80 and name   HN ) (resid  85 and name  HG2 )  4.0  2.2  1.0 ! A.1656 at 1.05e+07

! E81
assign (resid  81 and name  HG# ) (resid  81 and name   HN )  4.0  2.2  1.0 ! A.1123 at 1.43e+07
assign (resid  81 and name  HB# ) (resid  81 and name   HN )  3.0  1.2  0.5 ! A.1124 at 4.44e+07
assign (resid  81 and name   HA ) (resid  82 and name   HN )  4.0  2.2  1.0 ! A.1582 at 2.93e+07
assign (resid  81 and name  HG# ) (resid  82 and name   HN )  4.0  2.2  1.0 ! A.675  at 1.05e+07
assign (resid  81 and name   HN ) (resid  82 and name   HN )  4.0  2.2  1.0 ! A.1134 at 6.11e+06
assign (resid  81 and name  HB# ) (resid  82 and name   HN )  4.0  2.2  1.0 ! A.674  at 2.90e+07
assign (resid  81 and name   HN ) (resid  83 and name   HN )  4.0  2.2  1.0 ! A.1589 at -6.62e+06
assign (resid  81 and name   HA ) (resid  83 and name   HN )  4.0  2.2  1.0 ! A.387  at -2.20e+07

! D82
assign (resid  82 and name  HB1 ) (resid  82 and name   HN )  4.0  2.2  1.0 ! A.1580 at 3.36e+07
assign (resid  82 and name   HA ) (resid  83 and name   HN )  3.0  1.2  0.5 ! A.386  at -3.47e+07
assign (resid  82 and name   HN ) (resid  83 and name  HA1 )  4.0  2.2  2.0 ! A.1581 at 4.58e+06
assign (resid  82 and name   HN ) (resid  83 and name  HA2 )  4.0  2.2  1.0 ! A.236  at 5.11e+06
assign (resid  82 and name  HB# ) (resid  83 and name   HN )  4.0  2.2  1.0 ! A.1591 at -1.19e+07
assign (resid  82 and name   HN ) (resid  84 and name   HN )  4.0  2.2  1.0 ! A.678  at 1.52e+07
assign (resid  82 and name  HB# ) (resid  84 and name   HN )  4.0  2.2  1.0 ! A.1590 at 9.32e+06

! G83
assign (resid  83 and name   HN ) (resid  84 and name   HN )  3.0  1.2  0.5 ! A.585  at -8.42e+07
assign (resid  83 and name   HN ) (resid  84 and name  HB# )  4.0  2.2  1.0 ! A.1583 at -1.26e+07
assign (resid  83 and name   HN ) (resid  84 and name  HG2 )  4.0  2.2  1.0 ! A.1584 at -9.47e+06
assign (resid  83 and name   HN ) (resid  84 and name  HG1 )  4.0  2.2  2.0 ! A.583  at -4.30e+06
assign (resid  83 and name  HA2 ) (resid  84 and name   HN )  4.0  2.2  1.0 ! A.319  at 3.13e+07

! E84
assign (resid  84 and name  HG2 ) (resid  84 and name   HN )  3.0  1.2  0.5 ! A.878  at 4.28e+07
assign (resid  84 and name  HB# ) (resid  84 and name   HN )  2.5  0.7  0.4 ! A.877  at 1.85e+08
assign (resid  84 and name  HG1 ) (resid  84 and name   HN )  4.0  2.2  1.0 ! A.875  at 3.00e+07
assign (resid  84 and name  HB# ) (resid  85 and name   HN )  3.0  1.2  0.5 ! A.1080 at 5.52e+07
assign (resid  84 and name   HA ) (resid  85 and name   HN )  2.5  0.7  0.4 ! A.376  at 2.03e+08
assign (resid  84 and name   HN ) (resid  85 and name   HN )  4.0  2.2  1.0 ! A.1083 at 7.16e+06
assign (resid  84 and name   HN ) (resid  85 and name   HA )  4.0  2.2  2.0 ! A.1594 at 2.88e+06

! Q85
assign (resid  85 and name  HG1 ) (resid  85 and name HE22 )  4.0  2.2  1.0 ! A.1372 at -2.07e+07
assign (resid  85 and name  HG2 ) (resid  85 and name HE22 )  4.0  2.2  1.0 ! A.1371 at -1.92e+07
assign (resid  85 and name  HG2 ) (resid  85 and name HE21 )  4.0  2.2  1.0 ! A.1373 at -2.57e+07
assign (resid  85 and name  HG1 ) (resid  85 and name HE21 )  4.0  2.2  1.0 ! A.1374 at -2.83e+07
assign (resid  85 and name  HB# ) (resid  85 and name   HN )  3.0  1.2  0.5 ! A.1079 at 9.06e+07
assign (resid  85 and name  HG1 ) (resid  85 and name   HN )  4.0  2.2  1.0 ! A.1081 at 2.67e+07
assign (resid  85 and name   HA ) (resid  86 and name   HN )  2.5  0.7  0.4 ! A.253  at 2.08e+08
assign (resid  85 and name  HG2 ) (resid  86 and name   HN )  4.0  2.2  1.0 ! A.1599 at 2.28e+07
assign (resid  85 and name  HB# ) (resid  86 and name   HN )  3.0  1.2  0.5 ! A.695  at 3.84e+07

! S86
assign (resid  86 and name  HB2 ) (resid  86 and name   HN )  4.0  2.2  1.0 ! A.245  at 3.34e+07
assign (resid  86 and name  HB1 ) (resid  86 and name   HN )  4.0  2.2  1.0 ! A.246  at 2.60e+07
assign (resid  86 and name   HN ) (resid  87 and name   HA )  4.0  2.2  1.0 ! A.252  at 5.65e+06
assign (resid  86 and name   HA ) (resid  87 and name   HN )  3.0  1.2  0.5 ! A.202  at -6.98e+07
assign (resid  86 and name  HB1 ) (resid  87 and name   HN )  4.0  2.2  1.0 ! A.199  at -1.12e+07
assign (resid  86 and name  HB2 ) (resid  87 and name   HN )  4.0  2.2  1.0 ! A.198  at -1.09e+07
assign (resid  86 and name   HN ) (resid  87 and name   HN )  4.0  2.2  1.0 ! A.139  at -8.92e+06

! L87
assign (resid  87 and name HD2# ) (resid  87 and name   HN )  4.0  2.2  1.5 ! A.14   at -8.84e+06
assign (resid  87 and name HD1# ) (resid  87 and name   HN )  4.0  2.2  1.5 ! A.13   at -8.29e+06
assign (resid  87 and name  HB2 ) (resid  87 and name   HN )  3.0  1.2  0.5 ! A.440  at -3.89e+07
assign (resid  87 and name  HB1 ) (resid  87 and name   HN )  3.0  1.2  0.5 ! A.441  at -4.18e+07
assign (resid  87 and name   HG ) (resid  87 and name   HN )  4.0  2.2  1.0 ! A.436  at -6.26e+06
assign (resid  87 and name HD2# ) (resid  88 and name   HN )  4.0  2.2  1.5 ! A.972  at 1.90e+07
assign (resid  87 and name   HA ) (resid  88 and name   HN )  3.0  1.2  0.5 ! A.332  at 1.02e+08
assign (resid  87 and name  HB1 ) (resid  88 and name   HN )  4.0  2.2  1.0 ! A.967  at 5.74e+06
assign (resid  87 and name HD1# ) (resid  88 and name   HN )  4.0  2.2  1.5 ! A.144  at 3.28e+07
assign (resid  87 and name HD1# ) (resid  89 and name   HN )  3.0  1.2  1.0 ! A.986  at 3.84e+07
assign (resid  87 and name HD2# ) (resid  89 and name   HN )  4.0  2.2  1.5 ! A.988  at 2.07e+07
assign (resid  87 and name   HA ) (resid  89 and name   HN )  4.0  2.2  1.0 ! A.163  at 2.28e+07
assign (resid  87 and name  HB1 ) (resid  89 and name   HN )  4.0  2.2  1.0 ! A.993  at 5.22e+06
assign (resid  87 and name HD1# ) (resid  90 and name   HN )  4.0  2.2  1.5 ! A.26   at 6.39e+06
assign (resid  87 and name HD2# ) (resid  90 and name   HN )  4.0  2.2  1.5 ! A.921  at 7.21e+06

! I88
assign (resid  88 and name HG11 ) (resid  88 and name   HN )  3.0  1.2  0.5 ! A.970  at 4.53e+07
assign (resid  88 and name   HB ) (resid  88 and name   HN )  4.0  2.2  1.0 ! A.966  at 1.71e+07
assign (resid  88 and name HG12 ) (resid  88 and name   HN )  3.0  1.2  0.5 ! A.971  at 6.77e+07
assign (resid  88 and name   HA ) (resid  89 and name   HN )  4.0  2.2  1.0 ! A.161  at 2.51e+07
assign (resid  88 and name   HB ) (resid  89 and name   HN )  4.0  2.2  1.0 ! A.992  at 1.73e+07
assign (resid  88 and name HG11 ) (resid  89 and name   HN )  3.0  1.2  0.5 ! A.990  at 6.58e+07
assign (resid  88 and name   HN ) (resid  89 and name   HN )  2.5  0.7  0.4 ! A.157  at 1.63e+08
assign (resid  88 and name HG12 ) (resid  89 and name   HN )  3.0  1.2  0.5 ! A.989  at 3.43e+07
assign (resid  88 and name   HN ) (resid  89 and name   HA )  4.0  2.2  1.0 ! A.963  at 5.82e+06
assign (resid  88 and name   HN ) (resid  89 and name  HB2 )  4.0  2.2  1.0 ! A.1613 at 5.06e+06

! L89
assign (resid  89 and name  HB1 ) (resid  89 and name   HN )  3.0  1.2  0.5 ! A.991  at 4.45e+07
assign (resid  89 and name  HB2 ) (resid  89 and name   HN )  4.0  2.2  1.0 ! A.1615 at 2.57e+07
assign (resid  89 and name   HN ) (resid  90 and name  HB# )  4.0  2.2  2.0 ! A.1616 at 2.67e+06
assign (resid  89 and name   HN ) (resid  90 and name   HN )  4.0  2.2  1.0 ! A.158  at 6.96e+06
assign (resid  89 and name  HB2 ) (resid  90 and name   HN )  4.0  2.2  1.0 ! A.924  at 1.76e+07
assign (resid  89 and name   HG ) (resid  90 and name   HN )  3.0  1.2  0.5 ! A.923  at 4.57e+07
assign (resid  89 and name   HA ) (resid  90 and name   HN )  2.5  0.7  0.4 ! A.116  at 1.84e+08
assign (resid  89 and name HD1# ) (resid  90 and name   HN )  3.0  1.2  1.0 ! A.922  at 5.10e+07
assign (resid  89 and name HD2# ) (resid  90 and name   HN )  4.0  2.2  1.5 ! A.1619 at 1.52e+07
assign (resid  89 and name   HG ) (resid  91 and name   HN )  4.0  2.2  1.0 ! A.1004 at 7.84e+06

! S90
assign (resid  90 and name  HB# ) (resid  90 and name   HN )  3.0  1.2  0.5 ! A.313  at 5.06e+07
assign (resid  90 and name   HN ) (resid  91 and name   HN )  4.0  2.2  1.0 ! A.1016 at 7.42e+06
assign (resid  90 and name   HA ) (resid  91 and name   HN )  2.5  0.7  0.4 ! A.115  at 1.72e+08
assign (resid  90 and name  HB# ) (resid  91 and name   HN )  4.0  2.2  1.0 ! A.1556 at 2.38e+07
assign (resid  90 and name   HN ) (resid  91 and name   HB )  4.0  2.2  1.0 ! A.926  at 5.87e+06

! T91
assign (resid  91 and name HG2# ) (resid  91 and name   HN )  3.0  1.2  1.0 ! A.1005 at 6.79e+07
assign (resid  91 and name   HB ) (resid  91 and name   HN )  4.0  2.2  1.0 ! A.1558 at 1.80e+07
assign (resid  91 and name   HB ) (resid  92 and name   HN )  4.0  2.2  1.0 ! A.258  at 3.19e+07
assign (resid  91 and name   HA ) (resid  92 and name   HN )  3.0  1.2  0.5 ! A.122  at 7.31e+07
assign (resid  91 and name   HN ) (resid  92 and name   HN )  4.0  2.2  1.0 ! A.741  at 5.06e+06
assign (resid  91 and name HG2# ) (resid  92 and name   HN )  4.0  2.2  1.5 ! A.737  at 2.69e+07

! S92
assign (resid  92 and name  HB1 ) (resid  92 and name   HN )  3.0  1.2  0.5 ! A.259  at 3.42e+07
assign (resid  92 and name  HB2 ) (resid  93 and name   HN )  3.0  1.2  0.5 ! A.341  at 4.68e+07
assign (resid  92 and name   HA ) (resid  93 and name   HN )  2.5  0.7  0.4 ! A.123  at 1.85e+08
assign (resid  92 and name   HN ) (resid  93 and name   HN )  4.0  2.2  1.0 ! A.1634 at 7.70e+06
assign (resid  92 and name   HN ) (resid  93 and name  HG2 )  4.0  2.2  2.0 ! A.1624 at 4.37e+06

! Q93
assign (resid  93 and name  HB# ) (resid  93 and name   HN )  3.0  1.2  0.5 ! A.982  at 6.51e+07
assign (resid  93 and name  HG2 ) (resid  93 and name   HN )  4.0  2.2  1.0 ! A.983  at 1.12e+07
assign (resid  93 and name   HA ) (resid  93 and name HE22 )  4.0  2.2  2.0 ! A.1428 at 3.10e+06
assign (resid  93 and name  HB# ) (resid  93 and name HE22 )  4.0  2.2  2.0 ! A.1415 at 3.93e+06
assign (resid  93 and name  HG1 ) (resid  93 and name HE21 )  4.0  2.2  1.0 ! A.1419 at 2.51e+07
assign (resid  93 and name  HB# ) (resid  93 and name HE21 )  4.0  2.2  1.0 ! A.1414 at 8.81e+06
assign (resid  93 and name  HG2 ) (resid  93 and name HE21 )  4.0  2.2  1.0 ! A.1418 at 2.25e+07
assign (resid  93 and name  HG1 ) (resid  93 and name HE22 )  4.0  2.2  1.0 ! A.1421 at 1.36e+07
assign (resid  93 and name  HG2 ) (resid  93 and name HE22 )  4.0  2.2  1.0 ! A.1420 at 1.47e+07
assign (resid  93 and name   HA ) (resid  93 and name HE21 )  4.0  2.2  1.0 ! A.189  at 7.01e+06
assign (resid  93 and name   HN ) (resid  94 and name   HA )  4.0  2.2  1.0 ! A.339  at 6.35e+06
assign (resid  93 and name   HN ) (resid  94 and name   HN )  4.0  2.2  1.0 ! A.976  at 1.04e+07
assign (resid  93 and name HE22 ) (resid  94 and name   HN )  4.0  2.2  2.0 ! A.1430  at 4.74e+06
assign (resid  93 and name   HA ) (resid  94 and name   HN )  2.5  0.7  0.4 ! A.125  at 1.87e+08
assign (resid  93 and name  HG# ) (resid  94 and name   HN )  4.0  2.2  1.0 ! A.1635 at 1.67e+07
assign (resid  93 and name HE21 ) (resid  94 and name   HN )  4.0  2.2  1.0 ! A.1431 at 8.17e+06
assign (resid  93 and name HE22 ) (resid  95 and name HG2# )  4.0  2.2  2.5 ! A.1412 at 4.39e+06
assign (resid  93 and name HE22 ) (resid  95 and name   HA )  4.0  2.2  2.0 ! A.1429 at 2.66e+06
assign (resid  93 and name HE21 ) (resid  95 and name HG2# )  4.0  2.2  1.5 ! A.1413 at 8.99e+06

! T94
assign (resid  94 and name HG2# ) (resid  94 and name   HN )  3.0  1.2  1.0 ! A.787  at 5.32e+07
assign (resid  94 and name   HB ) (resid  94 and name   HN )  3.0  1.2  0.5 ! A.793  at 4.63e+07
assign (resid  94 and name   HB ) (resid  95 and name   HN )  4.0  2.2  1.0 ! A.361  at 2.47e+07
assign (resid  94 and name   HA ) (resid  95 and name   HN )  3.0  1.2  0.5 ! A.357  at 1.40e+08
assign (resid  94 and name HG2# ) (resid  95 and name   HN )  4.0  2.2  1.5 ! A.1125 at 3.08e+07
assign (resid  94 and name   HN ) (resid  95 and name   HN )  4.0  2.2  1.0 ! A.790  at 1.19e+07

! T95
assign (resid  95 and name HG2# ) (resid  95 and name   HN )  3.0  1.2  1.0 ! A.1126 at 4.43e+07


!@ END_XPLR_NOE_FILE
assign ((resid 17 and name HA) or (resid 18 and name HB)) (resid 18 and name HN) 3.0 1.2 0.5 
assign ((resid 35 and name HA2) or (resid 56 and name HB1)) (resid 57 and name HN) 4.0 2.2 1.0 
assign ((resid 36 and name HA) or (resid 37 and name HA)) (resid 77 and name HN) 4.0 2.2 1.0 
assign ((resid 36 and name HB1) or (resid 53 and name HB2)) (resid 54 and name HN) 4.0 2.2 1.0 
assign ((resid 74 and name HG2#) or (resid 73 and name HD1#)) (resid 73 and name HN) 4.0 2.2 1.5 
assign ((resid 38 and name HG2#) or (resid 74 and name HG1#)) (resid 39 and name HN) 3.0 1.2 1.0 
assign ((resid 39 and name HG2) or (resid 85 and name HG2)) (resid 37 and name HE) 4.0 2.2 1.0 
assign ((resid 40 or resid 93) and name HN) ((resid 52 or resid 73) and name HN) 4.0 2.2 1.0 
assign ((resid 42 and name HB1) or (resid 70 and name HG#)) (resid 71 and name HN) 4.0 2.2 1.0 
assign ((resid 42 and name HN) or (resid 72 and name HN)) (resid 43 and name HN) 4.0 2.2 1.0 
assign ((resid 43 and name HB#) or (resid 92 and name HB2)) (resid 72 and name HN) 4.0 2.2 2.0 
assign ((resid 50 and name HE22) or (resid 51 and name HD#)) (resid  40 and name HN) 4.0 2.2 2.0 
assign ((resid 52 and name HN) or (resid 54 and name HN)) (resid 53 and name HN) 4.0 2.2 1.0 
assign ((resid 69 and name HN) or (resid 94 and name HN)) (resid  95 and name HN) 4.0 2.2 1.0 
assign ((resid 72 and name HB2) or (resid 51 and name HB1)) ((resid 73 or resid 52) and name HN) 3.0 1.2 0.5 
assign ((resid 74 and name HG1#) or (resid 88 and name HD1#)) ((resid 91 or resid 78) and name HN) 4.0 2.2 1.5 
assign ((resid 75 and name HB1) or (resid 78 and name HB1) or (resid 38 and name HB)) (resid 77 and name HN) 4.0 2.2 1.0 
assign ((resid 79 and name HG12) or (resid 88 and name HG2#)) (resid 86 and name HN) 4.0 2.2 1.5 
assign ((resid 87 and name HB2) or (resid 89 and name HB1)) (resid 88 and name HN) 4.0 2.2 1.0 
assign (resid 87 and name HD1#) ((resid 91 or resid 78) and name HN) 4.0 2.2 2.5 
assign ((resid 85 and name HB#) or (resid 37 and name HB2)) (resid 85 and name HE21) 4.0 2.2 1.0 
assign (resid 67 and (name HB2 or name HG)) (resid 67 and name HN) 3.0 1.2 0.5 
assign (resid 88 and (name HG12 or name HG2#)) (resid 78 and name HN) 3.0 1.2 1.0 
assign (resid 78 and (name HB1 or name HG2)) (resid 78 and name HN) 3.0 1.2 0.5 
assign (resid 26 and (name HE1 or name HZ3)) (resid 26 and name HN) 4.0 2.2 1.0 
assign (resid 26 and name HN) ((resid 61 or resid 28) and name HN)  4.0  2.2  1.0 
assign (resid 26 and name HE1) ((resid 88 and name HG11) or (resid 54 and name HD1#)) 4.0 2.2 1.5 
! Beta Strands 1-4 
assign (resid 26 and name  N )(resid 26 and name HN ) (resid 59 and name O ) 
assign (resid 61 and name  N )(resid 61 and name HN ) (resid 24 and name O ) 
assign (resid 24 and name  N )(resid 24 and name HN ) (resid 61 and name O ) 
assign (resid 63 and name  N )(resid 63 and name HN ) (resid 22 and name O )

! Beta Strands 2-3
assign (resid 54 and name  N )(resid 54 and name HN ) (resid 36 and name O ) 
assign (resid 38 and name  N )(resid 38 and name HN ) (resid 52 and name O )
assign (resid 52 and name  N )(resid 52 and name HN ) (resid 38 and name O ) 
assign (resid 40 and name  N )(resid 40 and name HN ) (resid 50 and name O ) 
assign (resid 50 and name  N )(resid 50 and name HN ) (resid 40 and name O ) 

! Beta Strands 2-5
assign (resid 79 and name  N )(resid 79 and name HN ) (resid 35 and name O ) 
assign (resid 37 and name  N )(resid 37 and name HN ) (resid 77 and name O ) 
assign (resid 77 and name  N )(resid 77 and name HN ) (resid 37 and name O ) 
assign (resid 39 and name  N )(resid 39 and name HN ) (resid 75 and name O ) 
assign (resid 75 and name  N )(resid 75 and name HN ) (resid 39 and name O ) 
assign (resid 41 and name  N )(resid 41 and name HN ) (resid 73 and name O ) 
assign (resid 73 and name  N )(resid 73 and name HN ) (resid 41 and name O )

! Beta Strands 5-6
assign (resid 91 and name  N )(resid 91 and name HN ) (resid 74 and name O ) 
assign (resid 74 and name  N )(resid 74 and name HN ) (resid 91 and name O )
assign (resid 93 and name  N )(resid 93 and name HN ) (resid 72 and name O ) 
assign (resid 72 and name  N )(resid 72 and name HN ) (resid 93 and name O ) 
restraints dihed reset
nassign=250

! Phi by TALOS
assign (resid 21 and name c)  (resid 22 and name n)
       (resid 22 and name ca) (resid 22 and name c) 1.0 -125.000 60 2
assign (resid 22 and name c)  (resid 23 and name n)
       (resid 23 and name ca) (resid 23 and name c) 1.0 -116.000 16 2
assign (resid 23 and name c)  (resid 24 and name n)
       (resid 24 and name ca) (resid 24 and name c) 1.0 -118.000 10 2
assign (resid 24 and name c)  (resid 25 and name n)
       (resid 25 and name ca) (resid 25 and name c) 1.0 -121.000 50 2
assign (resid 35 and name c)  (resid 36 and name n)
       (resid 36 and name ca) (resid 36 and name c) 1.0 -130.000 28 2
assign (resid 36 and name c)  (resid 37 and name n)
       (resid 37 and name ca) (resid 37 and name c) 1.0 -128.000 32 2
assign (resid 37 and name c)  (resid 38 and name n)
       (resid 38 and name ca) (resid 38 and name c) 1.0 -115.000 34 2
assign (resid 38 and name c)  (resid 39 and name n)
       (resid 39 and name ca) (resid 39 and name c) 1.0 -125.000 26 2
assign (resid 39 and name c)  (resid 40 and name n)
       (resid 40 and name ca) (resid 40 and name c) 1.0 -119.000 36 2
assign (resid 40 and name c)  (resid 41 and name n)
       (resid 41 and name ca) (resid 41 and name c) 1.0 -139.000 36 2
assign (resid 41 and name c)  (resid 42 and name n)
       (resid 42 and name ca) (resid 42 and name c) 1.0 -75.000 22 2
assign (resid 42 and name c)  (resid 43 and name n)
       (resid 43 and name ca) (resid 43 and name c) 1.0 -67.000 44 2
assign (resid 43 and name c)  (resid 44 and name n)
       (resid 44 and name ca) (resid 44 and name c) 1.0 -76.000 46 2
assign (resid 47 and name c)  (resid 48 and name n)
       (resid 48 and name ca) (resid 48 and name c) 1.0 -88.000 54 2
assign (resid 50 and name c)  (resid 51 and name n)
       (resid 51 and name ca) (resid 51 and name c) 1.0 -131.000 28 2
assign (resid 51 and name c)  (resid 52 and name n)
       (resid 52 and name ca) (resid 52 and name c) 1.0 -129.000 40 2
assign (resid 52 and name c)  (resid 53 and name n)
       (resid 53 and name ca) (resid 53 and name c) 1.0 -103.000 50 2
assign (resid 53 and name c)  (resid 54 and name n)
       (resid 54 and name ca) (resid 54 and name c) 1.0 -126.000 24 2
assign (resid 54 and name c)  (resid 55 and name n)
       (resid 55 and name ca) (resid 55 and name c) 1.0 -68.000 22 2
assign (resid 55 and name c)  (resid 56 and name n)
       (resid 56 and name ca) (resid 56 and name c) 1.0 -62.000 12 2
assign (resid 56 and name c)  (resid 57 and name n)
       (resid 57 and name ca) (resid 57 and name c) 1.0 -95.000 32 2
assign (resid 59 and name c)  (resid 60 and name n)
       (resid 60 and name ca) (resid 60 and name c) 1.0 -132.000 64 2
assign (resid 60 and name c)  (resid 61 and name n)
       (resid 61 and name ca) (resid 61 and name c) 1.0 -111.000 54 2
assign (resid 61 and name c)  (resid 62 and name n)
       (resid 62 and name ca) (resid 62 and name c) 1.0 -116.000 48 2
assign (resid 62 and name c)  (resid 63 and name n)
       (resid 63 and name ca) (resid 63 and name c) 1.0 -89.000 46 2
assign (resid 66 and name c)  (resid 67 and name n)
       (resid 67 and name ca) (resid 67 and name c) 1.0 -89.000 42 2
assign (resid 69 and name c)  (resid 70 and name n)
       (resid 70 and name ca) (resid 70 and name c) 1.0 -116.000 38 2
assign (resid 70 and name c)  (resid 71 and name n)
       (resid 71 and name ca) (resid 71 and name c) 1.0 -108.000 52 2
assign (resid 71 and name c)  (resid 72 and name n)
       (resid 72 and name ca) (resid 72 and name c) 1.0 -122.000 38 2
assign (resid 72 and name c)  (resid 73 and name n)
       (resid 73 and name ca) (resid 73 and name c) 1.0 -114.000 18 2
assign (resid 73 and name c)  (resid 74 and name n)
       (resid 74 and name ca) (resid 74 and name c) 1.0 -118.000 10 2
assign (resid 74 and name c)  (resid 75 and name n)
       (resid 75 and name ca) (resid 75 and name c) 1.0 -123.000 26 2
assign (resid 75 and name c)  (resid 76 and name n)
       (resid 76 and name ca) (resid 76 and name c) 1.0 -120.000 42 2
assign (resid 76 and name c)  (resid 77 and name n)
       (resid 77 and name ca) (resid 77 and name c) 1.0 -124.000 24 2
assign (resid 77 and name c)  (resid 78 and name n)
       (resid 78 and name ca) (resid 78 and name c) 1.0 -126.000 34 2
assign (resid 78 and name c)  (resid 79 and name n)
       (resid 79 and name ca) (resid 79 and name c) 1.0 -103.000 28 2
assign (resid 79 and name c)  (resid 80 and name n)
       (resid 80 and name ca) (resid 80 and name c) 1.0 -85.000 16 2
assign (resid 80 and name c)  (resid 81 and name n)
       (resid 81 and name ca) (resid 81 and name c) 1.0 -62.000 10 2
assign (resid 81 and name c)  (resid 82 and name n)
       (resid 82 and name ca) (resid 82 and name c) 1.0 -89.000 22 2
assign (resid 82 and name c)  (resid 83 and name n)
       (resid 83 and name ca) (resid 83 and name c) 1.0 93.000 24 2
assign (resid 83 and name c)  (resid 84 and name n)
       (resid 84 and name ca) (resid 84 and name c) 1.0 -77.000 42 2
assign (resid 84 and name c)  (resid 85 and name n)
       (resid 85 and name ca) (resid 85 and name c) 1.0 -113.000 38 2
assign (resid 85 and name c)  (resid 86 and name n)
       (resid 86 and name ca) (resid 86 and name c) 1.0 -120.000 50 2
assign (resid 86 and name c)  (resid 87 and name n)
       (resid 87 and name ca) (resid 87 and name c) 1.0 -73.000 28 2
assign (resid 88 and name c)  (resid 89 and name n)
       (resid 89 and name ca) (resid 89 and name c) 1.0 -123.000 62 2
assign (resid 89 and name c)  (resid 90 and name n)
       (resid 90 and name ca) (resid 90 and name c) 1.0 -118.000 32 2
assign (resid 90 and name c)  (resid 91 and name n)
       (resid 91 and name ca) (resid 91 and name c) 1.0 -116.000 40 2
assign (resid 91 and name c)  (resid 92 and name n)
       (resid 92 and name ca) (resid 92 and name c) 1.0 -126.000 32 2
assign (resid 92 and name c)  (resid 93 and name n)
       (resid 93 and name ca) (resid 93 and name c) 1.0 -142.000 20 2
assign (resid 93 and name c)  (resid 94 and name n)
       (resid 94 and name ca) (resid 94 and name c) 1.0 -117.000 38 2

!Psi by TALOS
assign (resid 22 and name n)  (resid 22 and name ca)
       (resid 22 and name c) (resid 23 and name n) 1.0 143.000 30 2
assign (resid 23 and name n)  (resid 23 and name ca)
       (resid 23 and name c) (resid 24 and name n) 1.0 127.000 24 2
assign (resid 24 and name n)  (resid 24 and name ca)
       (resid 24 and name c) (resid 25 and name n) 1.0 133.000 30 2
assign (resid 25 and name n)  (resid 25 and name ca)
       (resid 25 and name c) (resid 26 and name n) 1.0 151.000 28 2
assign (resid 36 and name n)  (resid 36 and name ca)
       (resid 36 and name c) (resid 37 and name n) 1.0 141.000 34 2
assign (resid 37 and name n)  (resid 37 and name ca)
       (resid 37 and name c) (resid 38 and name n) 1.0 129.000 12 2
assign (resid 38 and name n)  (resid 38 and name ca)
       (resid 38 and name c) (resid 39 and name n) 1.0 128.000 26 2
assign (resid 39 and name n)  (resid 39 and name ca)
       (resid 39 and name c) (resid 40 and name n) 1.0 143.000 34 2
assign (resid 40 and name n)  (resid 40 and name ca)
       (resid 40 and name c) (resid 41 and name n) 1.0 139.000 24 2
assign (resid 41 and name n)  (resid 41 and name ca)
       (resid 41 and name c) (resid 42 and name n) 1.0 147.000 24 2
assign (resid 42 and name n)  (resid 42 and name ca)
       (resid 42 and name c) (resid 43 and name n) 1.0 146.000 30 2
assign (resid 43 and name n)  (resid 43 and name ca)
       (resid 43 and name c) (resid 44 and name n) 1.0 -31.000 60 2
assign (resid 44 and name n)  (resid 44 and name ca)
       (resid 44 and name c) (resid 45 and name n) 1.0 -26.000 56 2
assign (resid 48 and name n)  (resid 48 and name ca)
       (resid 48 and name c) (resid 49 and name n) 1.0 127.000 70 2
assign (resid 51 and name n)  (resid 51 and name ca)
       (resid 51 and name c) (resid 52 and name n) 1.0 153.000 16 2
assign (resid 52 and name n)  (resid 52 and name ca)
       (resid 52 and name c) (resid 53 and name n) 1.0 136.000 24 2
assign (resid 53 and name n)  (resid 53 and name ca)
       (resid 53 and name c) (resid 54 and name n) 1.0 131.000 24 2
assign (resid 54 and name n)  (resid 54 and name ca)
       (resid 54 and name c) (resid 55 and name n) 1.0 136.000 40 2
assign (resid 55 and name n)  (resid 55 and name ca)
       (resid 55 and name c) (resid 56 and name n) 1.0 143.000 20 2
assign (resid 56 and name n)  (resid 56 and name ca)
       (resid 56 and name c) (resid 57 and name n) 1.0 -22.000 30 2
assign (resid 57 and name n)  (resid 57 and name ca)
       (resid 57 and name c) (resid 58 and name n) 1.0 -11.000 28 2
assign (resid 60 and name n)  (resid 60 and name ca)
       (resid 60 and name c) (resid 61 and name n) 1.0 161.000 50 2
assign (resid 61 and name n)  (resid 61 and name ca)
       (resid 61 and name c) (resid 62 and name n) 1.0 133.000 26 2
assign (resid 62 and name n)  (resid 62 and name ca)
       (resid 62 and name c) (resid 63 and name n) 1.0 124.000 26 2
assign (resid 63 and name n)  (resid 63 and name ca)
       (resid 63 and name c) (resid 64 and name n) 1.0 128.000 36 2
assign (resid 67 and name n)  (resid 67 and name ca)
       (resid 67 and name c) (resid 68 and name n) 1.0 128.000 60 2
assign (resid 70 and name n)  (resid 70 and name ca)
       (resid 70 and name c) (resid 71 and name n) 1.0 160.000 22 2
assign (resid 71 and name n)  (resid 71 and name ca)
       (resid 71 and name c) (resid 72 and name n) 1.0 126.000 46 2
assign (resid 72 and name n)  (resid 72 and name ca)
       (resid 72 and name c) (resid 73 and name n) 1.0 141.000 30 2
assign (resid 73 and name n)  (resid 73 and name ca)
       (resid 73 and name c) (resid 74 and name n) 1.0 124.000 16 2
assign (resid 74 and name n)  (resid 74 and name ca)
       (resid 74 and name c) (resid 75 and name n) 1.0 131.000 14 2
assign (resid 75 and name n)  (resid 75 and name ca)
       (resid 75 and name c) (resid 76 and name n) 1.0 136.000 24 2
assign (resid 76 and name n)  (resid 76 and name ca)
       (resid 76 and name c) (resid 77 and name n) 1.0 137.000 44 2
assign (resid 77 and name n)  (resid 77 and name ca)
       (resid 77 and name c) (resid 78 and name n) 1.0 141.000 32 2
assign (resid 78 and name n)  (resid 78 and name ca)
       (resid 78 and name c) (resid 79 and name n) 1.0 136.000 20 2
assign (resid 79 and name n)  (resid 79 and name ca)
       (resid 79 and name c) (resid 80 and name n) 1.0 126.000 20 2
assign (resid 80 and name n)  (resid 80 and name ca)
       (resid 80 and name c) (resid 81 and name n) 1.0 168.000 16 2
assign (resid 81 and name n)  (resid 81 and name ca)
       (resid 81 and name c) (resid 82 and name n) 1.0 -24.000 18 2
assign (resid 82 and name n)  (resid 82 and name ca)
       (resid 82 and name c) (resid 83 and name n) 1.0 5.000 22 2
assign (resid 83 and name n)  (resid 83 and name ca)
       (resid 83 and name c) (resid 84 and name n) 1.0 -4.000 28 2
assign (resid 84 and name n)  (resid 84 and name ca)
       (resid 84 and name c) (resid 85 and name n) 1.0 135.000 38 2
assign (resid 85 and name n)  (resid 85 and name ca)
       (resid 85 and name c) (resid 86 and name n) 1.0 139.000 30 2
assign (resid 86 and name n)  (resid 86 and name ca)
       (resid 86 and name c) (resid 87 and name n) 1.0 127.000 38 2
assign (resid 87 and name n)  (resid 87 and name ca)
       (resid 87 and name c) (resid 88 and name n) 1.0 132.000 28 2
assign (resid 89 and name n)  (resid 89 and name ca)
       (resid 89 and name c) (resid 90 and name n) 1.0 137.000 34 2
assign (resid 90 and name n)  (resid 90 and name ca)
       (resid 90 and name c) (resid 91 and name n) 1.0 126.000 22 2
assign (resid 91 and name n)  (resid 91 and name ca)
       (resid 91 and name c) (resid 92 and name n) 1.0 135.000 40 2
assign (resid 92 and name n)  (resid 92 and name ca)
       (resid 92 and name c) (resid 93 and name n) 1.0 151.000 20 2
assign (resid 93 and name n)  (resid 93 and name ca)
       (resid 93 and name c) (resid 94 and name n) 1.0 146.000 20 2
assign (resid 94 and name n)  (resid 94 and name ca)
       (resid 94 and name c) (resid 95 and name n) 1.0 129.000 24 2

!chi1 from HNHB & HACAHB
assign (resid 22 and name n) (resid 22 and name ca)
       (resid 22 and name cb) (resid 22 and name cg) 1.0 -60 20 2
assign (resid 25 and name n) (resid 25 and name ca)
       (resid 25 and name cb) (resid 25 and name og) 1.0  60 20 2
assign (resid 26 and name n) (resid 26 and name ca)
       (resid 26 and name cb) (resid 26 and name cg) 1.0  60 20 2
assign (resid 34 and name n) (resid 34 and name ca)
       (resid 34 and name cb) (resid 34 and name og) 1.0 -60 20 2
assign (resid 36 and name n) (resid 36 and name ca)
       (resid 36 and name cb) (resid 36 and name cg) 1.0 -60 20 2
assign (resid 37 and name n) (resid 37 and name ca)
       (resid 37 and name cb) (resid 37 and name cg) 1.0 180 20 2
assign (resid 39 and name n) (resid 39 and name ca)
       (resid 39 and name cb) (resid 39 and name cg) 1.0 180 20 2
assign (resid 40 and name n) (resid 40 and name ca)
       (resid 40 and name cb) (resid 40 and name cg) 1.0  60 20 2
assign (resid 41 and name n) (resid 41 and name ca)
       (resid 41 and name cb) (resid 41 and name cg) 1.0  60 20 2
assign (resid 42 and name n) (resid 42 and name ca)
       (resid 42 and name cb) (resid 42 and name cg) 1.0 -60 20 2
assign (resid 43 and name n) (resid 43 and name ca)
       (resid 43 and name cb) (resid 43 and name og) 1.0  60 20 2
assign (resid 51 and name n) (resid 51 and name ca)
       (resid 51 and name cb) (resid 51 and name cg) 1.0 -60 20 2
assign (resid 52 and name n) (resid 52 and name ca)
       (resid 52 and name cb) (resid 52 and name cg) 1.0 -60 20 2
assign (resid 53 and name n) (resid 53 and name ca)
       (resid 53 and name cb) (resid 53 and name cg) 1.0 -60 20 2
assign (resid 54 and name n) (resid 54 and name ca)
       (resid 54 and name cb) (resid 54 and name cg) 1.0 -60 20 2
assign (resid 56 and name n) (resid 56 and name ca)
       (resid 56 and name cb) (resid 56 and name og) 1.0  60 20 2
assign (resid 60 and name n) (resid 60 and name ca)
       (resid 60 and name cb) (resid 60 and name og) 1.0  60 20 2
assign (resid 65 and name n) (resid 65 and name ca)
       (resid 65 and name cb) (resid 65 and name cg) 1.0 -60 20 2
assign (resid 66 and name n) (resid 66 and name ca)
       (resid 66 and name cb) (resid 66 and name cg) 1.0 -60 20 2
assign (resid 67 and name n) (resid 67 and name ca)
       (resid 67 and name cb) (resid 67 and name cg) 1.0 -60 20 2
assign (resid 70 and name n) (resid 70 and name ca)
       (resid 70 and name cb) (resid 70 and name cg) 1.0 -60 20 2
assign (resid 71 and name n) (resid 71 and name ca)
       (resid 71 and name cb) (resid 71 and name cg) 1.0 180 20 2
assign (resid 72 and name n) (resid 72 and name ca)
       (resid 72 and name cb) (resid 72 and name cg) 1.0 -60 20 2
assign (resid 75 and name n) (resid 75 and name ca)
       (resid 75 and name cb) (resid 75 and name cg) 1.0 -60 20 2
assign (resid 77 and name n) (resid 77 and name ca)
       (resid 77 and name cb) (resid 77 and name cg) 1.0 -60 20 2
assign (resid 78 and name n) (resid 78 and name ca)
       (resid 78 and name cb) (resid 78 and name cg) 1.0  60 25 2
assign (resid 80 and name n) (resid 80 and name ca)
       (resid 80 and name cb) (resid 80 and name og) 1.0  60 20 2
assign (resid 81 and name n) (resid 81 and name ca)
       (resid 81 and name cb) (resid 81 and name cg) 1.0 -60 20 2
assign (resid 82 and name n) (resid 82 and name ca)
       (resid 82 and name cb) (resid 82 and name cg) 1.0  60 20 2
assign (resid 84 and name n) (resid 84 and name ca)
       (resid 84 and name cb) (resid 84 and name cg) 1.0 -60 20 2
assign (resid 85 and name n) (resid 85 and name ca)
       (resid 85 and name cb) (resid 85 and name cg) 1.0 -60 20 2
assign (resid 87 and name n) (resid 87 and name ca)
       (resid 87 and name cb) (resid 87 and name cg) 1.0 180 20 2
assign (resid 89 and name n) (resid 89 and name ca)
       (resid 89 and name cb) (resid 89 and name cg) 1.0 180 20 2
assign (resid 90 and name n) (resid 90 and name ca)
       (resid 90 and name cb) (resid 90 and name og) 1.0 180 20 2
assign (resid 93 and name n) (resid 93 and name ca)
       (resid 93 and name cb) (resid 93 and name cg) 1.0 -60 20 2

! Thr
assign (resid 57 and name n) (resid 57 and name ca)
       (resid 57 and name cb) (resid 57 and name og1) 1.0  60 20 2
assign (resid 59 and name n) (resid 59 and name ca)
       (resid 59 and name cb) (resid 59 and name og1) 1.0  60 20 2
assign (resid 91 and name n) (resid 91 and name ca)
       (resid 91 and name cb) (resid 91 and name og1) 1.0  180 20 2

! Ile

assign (resid 63 and name n) (resid 63 and name ca)
       (resid 63 and name cb) (resid 63 and name cg1) 1.0 -60 20 2
assign (resid 73 and name n) (resid 73 and name ca)
       (resid 73 and name cb) (resid 73 and name cg1) 1.0 -60 20 2
assign (resid 79 and name n) (resid 79 and name ca)
       (resid 79 and name cb) (resid 79 and name cg1) 1.0 -60 20 2
assign (resid 88 and name n) (resid 88 and name ca)
       (resid 88 and name cb) (resid 88 and name cg1) 1.0  60 20 2


! Val

assign (resid 23 and name n) (resid 23 and name ca)
       (resid 23 and name cb) (resid 23 and name cg1) 1.0 180 20 2
assign (resid 24 and name n) (resid 24 and name ca)
       (resid 24 and name cb) (resid 24 and name cg1) 1.0 180 20 2
assign (resid 38 and name n) (resid 38 and name ca)
       (resid 38 and name cb) (resid 38 and name cg1) 1.0 180 20 2
assign (resid 61 and name n) (resid 61 and name ca)
       (resid 61 and name cb) (resid 61 and name cg1) 1.0  60 20 2
assign (resid 74 and name n) (resid 74 and name ca)
       (resid 74 and name cb) (resid 74 and name cg1) 1.0 180 20 2
assign (resid 76 and name n) (resid 76 and name ca)
       (resid 76 and name cb) (resid 76 and name cg1) 1.0 180 20 2


! Ile chi2

assign (resid 63 and name ca) (resid 63 and name cb)
       (resid 63 and name cg1) (resid 63 and name cd1) 1.0 180 20 2
assign (resid 73 and name ca) (resid 73 and name cb)
       (resid 73 and name cg1) (resid 73 and name cd1) 1.0 180 20 2
assign (resid 79 and name ca) (resid 79 and name cb)
       (resid 79 and name cg1) (resid 79 and name cd1) 1.0 180 20 2
assign (resid 88 and name ca) (resid 88 and name cb)
       (resid 88 and name cg1) (resid 88 and name cd1) 1.0 180 20 2


! Leu chi2

assign (resid 42 and name ca) (resid 42 and name cb)
       (resid 42 and name cg) (resid 42 and name cd1) 1.0 180 20 2
assign (resid 52 and name ca) (resid 52 and name cb)
       (resid 52 and name cg) (resid 52 and name cd1) 1.0 180 20 2
assign (resid 54 and name ca) (resid 54 and name cb)
       (resid 54 and name cg) (resid 54 and name cd1) 1.0 180 20 2
assign (resid 66 and name ca) (resid 66 and name cb)
       (resid 66 and name cg) (resid 66 and name cd1) 1.0 180 20 2
assign (resid 67 and name ca) (resid 67 and name cb)
       (resid 67 and name cg) (resid 67 and name cd1) 1.0 180 20 2
assign (resid 87 and name ca) (resid 87 and name cb)
       (resid 87 and name cg) (resid 87 and name cd2) 1.0 180 20 2
assign (resid 89 and name ca) (resid 89 and name cb)
       (resid 89 and name cg) (resid 89 and name cd2) 1.0 180 20 2

end
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 22  and name N  )
       (resid 22  and name HN )  -4.5048  0.2

assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 23  and name N  )
       (resid 23  and name HN )  -3.5372  0.2
 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 24  and name N  )
       (resid 24  and name HN )  -7.5165  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 25  and name N  )
       (resid 25  and name HN )  -5.1895  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 26  and name N  )
       (resid 26  and name HN )  -4.8438  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 27  and name N  )
       (resid 27  and name HN )  -2.6230  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 34  and name N  )
       (resid 34  and name HN )  -1.9091  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 35  and name N  )
       (resid 35  and name HN )  -4.8271  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 36  and name N  )
       (resid 36  and name HN )  -3.5126  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 37  and name N  )
       (resid 37  and name HN )  -5.4639  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 38  and name N  )
       (resid 38  and name HN )  -7.5097  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 39  and name N  )
       (resid 39  and name HN )  -6.4921  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 40  and name N  )
       (resid 40  and name HN )  -8.8066  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 41  and name N  )
       (resid 41  and name HN )  -7.7969  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 42  and name N  )
       (resid 42  and name HN )  -7.3154  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 51  and name N  )
       (resid 51  and name HN )  -7.4111  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 53  and name N  )
       (resid 53  and name HN )  -4.0039  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 54  and name N  )
       (resid 54  and name HN )  -2.1006  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 56  and name N  )
       (resid 56  and name HN )  -3.4629  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 57  and name N  )
       (resid 57  and name HN )  -7.7573  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 58  and name N  )
       (resid 58  and name HN )  -2.0429  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 59  and name N  )
       (resid 59  and name HN )  0.7392  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 60  and name N  )
       (resid 60  and name HN )  -7.1679  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 61  and name N  )
       (resid 61  and name HN )  -5.6192  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 62  and name N  )
       (resid 62  and name HN )  -4.5908  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 63  and name N  )
       (resid 63  and name HN )  -7.2236  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 65  and name N  )
       (resid 65  and name HN )  0.6006  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 66  and name N  )
       (resid 66  and name HN )  -2.1074  0.2

assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 67  and name N  )
       (resid 67  and name HN )  4.0634  0.2
 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 69  and name N  )
       (resid 69  and name HN )  0.5527  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 70  and name N  )
       (resid 70  and name HN )  -0.8974  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 71  and name N  )
       (resid 71  and name HN )  -0.5537  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 72  and name N  )
       (resid 72  and name HN )  -3.8379  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 74  and name N  )
       (resid 74  and name HN )  -8.8125  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 75  and name N  )
       (resid 75  and name HN )  -7.1679  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 76  and name N  )
       (resid 76  and name HN )  -8.3017  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 77  and name N  )
       (resid 77  and name HN )  -3.8544  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 79  and name N  )
       (resid 79  and name HN )  -0.3720  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 80  and name N  )
       (resid 80  and name HN )  -0.9726  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 82  and name N  )
       (resid 82  and name HN )  -6.9979  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 83  and name N  )
       (resid 83  and name HN )  -2.0380  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 84  and name N  )
       (resid 84  and name HN )  4.9570  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 85  and name N  )
       (resid 85  and name HN )  -1.4872  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 86  and name N  )
       (resid 86  and name HN )  -1.8467  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 87  and name N  )
       (resid 87  and name HN )  -0.6923  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 88  and name N  )
       (resid 88  and name HN )  -3.7373  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 89  and name N  )
       (resid 89  and name HN )  -7.3056  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 90  and name N  )
       (resid 90  and name HN )  -7.4609  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 93  and name N  )
       (resid 93  and name HN )  -5.2519  0.2

 
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid 26  and name NE1)
       (resid 26  and name HE1)  2.2763  0.2
! P2
 assign ( resid 1 and name c ) ( resid 2 and name n )
 ( resid 2 and name ca) ( resid 2 and name c )
 ( resid 3 and name n )  63.16 32.35
 
! L3
 assign ( resid 2 and name c ) ( resid 3 and name n )
 ( resid 3 and name ca) ( resid 3 and name c )
 ( resid 4 and name n )  55.46 42.43
 
! S5
 assign ( resid 4 and name c ) ( resid 5 and name n )
 ( resid 5 and name ca) ( resid 5 and name c )
 ( resid 6 and name n )  58.60 63.95
 
! H6
 assign ( resid 5 and name c ) ( resid 6 and name n )
 ( resid 6 and name ca) ( resid 6 and name c )
 ( resid 7 and name n )  56.43 30.57
 
! L7
 assign ( resid 6 and name c ) ( resid 7 and name n )
 ( resid 7 and name ca) ( resid 7 and name c )
 ( resid 8 and name n )  55.19 42.39
 
! V8
 assign ( resid 7 and name c ) ( resid 8 and name n )
 ( resid 8 and name ca) ( resid 8 and name c )
 ( resid 9 and name n )  62.06 32.96
 
! A9
 assign ( resid 8 and name c ) ( resid 9 and name n )
 ( resid 9 and name ca) ( resid 9 and name c )
 ( resid 10 and name n )  52.47 19.46
 
! T10
 assign ( resid 9 and name c ) ( resid 10 and name n )
 ( resid 10 and name ca) ( resid 10 and name c )
 ( resid 11 and name n )  61.71 69.95
 
! S11
 assign ( resid 10 and name c ) ( resid 11 and name n )
 ( resid 11 and name ca) ( resid 11 and name c )
 ( resid 12 and name n )  58.49 63.92
 
! E12
 assign ( resid 11 and name c ) ( resid 12 and name n )
 ( resid 12 and name ca) ( resid 12 and name c )
 ( resid 13 and name n )  56.83 30.33
 
! S13
 assign ( resid 12 and name c ) ( resid 13 and name n )
 ( resid 13 and name ca) ( resid 13 and name c )
 ( resid 14 and name n )  58.49 63.90
 
! V14
 assign ( resid 13 and name c ) ( resid 14 and name n )
 ( resid 14 and name ca) ( resid 14 and name c )
 ( resid 15 and name n )  62.28 32.83
 
! T15
 assign ( resid 14 and name c ) ( resid 15 and name n )
 ( resid 15 and name ca) ( resid 15 and name c )
 ( resid 16 and name n )  61.80 70.08
 
! E16
 assign ( resid 15 and name c ) ( resid 16 and name n )
 ( resid 16 and name ca) ( resid 16 and name c )
 ( resid 17 and name n )  56.50 30.39
 
! I17
 assign ( resid 16 and name c ) ( resid 17 and name n )
 ( resid 17 and name ca) ( resid 17 and name c )
 ( resid 18 and name n )  61.20 38.82
 
! T18
 assign ( resid 17 and name c ) ( resid 18 and name n )
 ( resid 18 and name ca) ( resid 18 and name c )
 ( resid 19 and name n )  61.48 70.13
 
! A19
 assign ( resid 18 and name c ) ( resid 19 and name n )
 ( resid 19 and name ca) ( resid 19 and name c )
 ( resid 20 and name n )  52.51 20.06
 
! S20
 assign ( resid 19 and name c ) ( resid 20 and name n )
 ( resid 20 and name ca) ( resid 20 and name c )
 ( resid 21 and name n )  58.06 64.61
 
! S21
 assign ( resid 20 and name c ) ( resid 21 and name n )
 ( resid 21 and name ca) ( resid 21 and name c )
 ( resid 22 and name n )  57.60 65.59
 
! F22
 assign ( resid 21 and name c ) ( resid 22 and name n )
 ( resid 22 and name ca) ( resid 22 and name c )
 ( resid 23 and name n )  56.80 40.57
 
! V23
 assign ( resid 22 and name c ) ( resid 23 and name n )
 ( resid 23 and name ca) ( resid 23 and name c )
 ( resid 24 and name n )  60.90 33.88
 
! V24
 assign ( resid 23 and name c ) ( resid 24 and name n )
 ( resid 24 and name ca) ( resid 24 and name c )
 ( resid 25 and name n )  60.55 34.76
 
! S25
 assign ( resid 24 and name c ) ( resid 25 and name n )
 ( resid 25 and name ca) ( resid 25 and name c )
 ( resid 26 and name n )  57.30 66.14
 
! W26
 assign ( resid 25 and name c ) ( resid 26 and name n )
 ( resid 26 and name ca) ( resid 26 and name c )
 ( resid 27 and name n )  56.27 30.68
 
! V27
 assign ( resid 26 and name c ) ( resid 27 and name n )
 ( resid 27 and name ca) ( resid 27 and name c )
 ( resid 28 and name n )  61.20 34.03
 
! S28
 assign ( resid 27 and name c ) ( resid 28 and name n )
 ( resid 28 and name ca) ( resid 28 and name c )
 ( resid 29 and name n )  58.11 64.35
 
! A29
 assign ( resid 28 and name c ) ( resid 29 and name n )
 ( resid 29 and name ca) ( resid 29 and name c )
 ( resid 30 and name n )  52.17 19.94
 
! S30
 assign ( resid 29 and name c ) ( resid 30 and name n )
 ( resid 30 and name ca) ( resid 30 and name c )
 ( resid 31 and name n )  57.78 64.23
 
! D31
 assign ( resid 30 and name c ) ( resid 31 and name n )
 ( resid 31 and name ca) ( resid 31 and name c )
 ( resid 32 and name n )  54.86 41.17
 
! T32
 assign ( resid 31 and name c ) ( resid 32 and name n )
 ( resid 32 and name ca) ( resid 32 and name c )
 ( resid 33 and name n )  61.01 69.10
 
! V33
 assign ( resid 32 and name c ) ( resid 33 and name n )
 ( resid 33 and name ca) ( resid 33 and name c )
 ( resid 34 and name n )  61.81 33.73
 
! S34
 assign ( resid 33 and name c ) ( resid 34 and name n )
 ( resid 34 and name ca) ( resid 34 and name c )
 ( resid 35 and name n )  59.03 64.67
 
! F36
 assign ( resid 35 and name c ) ( resid 36 and name n )
 ( resid 36 and name ca) ( resid 36 and name c )
 ( resid 37 and name n )  56.73 43.83
 
! R37
 assign ( resid 36 and name c ) ( resid 37 and name n )
 ( resid 37 and name ca) ( resid 37 and name c )
 ( resid 38 and name n )  54.97 34.20
 
! V38
 assign ( resid 37 and name c ) ( resid 38 and name n )
 ( resid 38 and name ca) ( resid 38 and name c )
 ( resid 39 and name n )  61.41 33.50
 
! E39
 assign ( resid 38 and name c ) ( resid 39 and name n )
 ( resid 39 and name ca) ( resid 39 and name c )
 ( resid 40 and name n )  53.88 34.74
 
! Y40
 assign ( resid 39 and name c ) ( resid 40 and name n )
 ( resid 40 and name ca) ( resid 40 and name c )
 ( resid 41 and name n )  55.15 41.69
 
! E41
 assign ( resid 40 and name c ) ( resid 41 and name n )
 ( resid 41 and name ca) ( resid 41 and name c )
 ( resid 42 and name n )  54.26 33.35
 
! L42
 assign ( resid 41 and name c ) ( resid 42 and name n )
 ( resid 42 and name ca) ( resid 42 and name c )
 ( resid 43 and name n )  55.20 42.86
 
! S43
 assign ( resid 42 and name c ) ( resid 43 and name n )
 ( resid 43 and name ca) ( resid 43 and name c )
 ( resid 44 and name n )  59.91 63.26
 
! E44
 assign ( resid 43 and name c ) ( resid 44 and name n )
 ( resid 44 and name ca) ( resid 44 and name c )
 ( resid 45 and name n )  57.12 29.96
 
! E45
 assign ( resid 44 and name c ) ( resid 45 and name n )
 ( resid 45 and name ca) ( resid 45 and name c )
 ( resid 46 and name n )  56.88 30.32
 
! D47
 assign ( resid 46 and name c ) ( resid 47 and name n )
 ( resid 47 and name ca) ( resid 47 and name c )
 ( resid 48 and name n )  53.77 42.35
 
! E48
 assign ( resid 47 and name c ) ( resid 48 and name n )
 ( resid 48 and name ca) ( resid 48 and name c )
 ( resid 49 and name n )  54.28 30.15
 
! P49
 assign ( resid 48 and name c ) ( resid 49 and name n )
 ( resid 49 and name ca) ( resid 49 and name c )
 ( resid 50 and name n )  62.99 32.42
 
! Q50
 assign ( resid 49 and name c ) ( resid 50 and name n )
 ( resid 50 and name ca) ( resid 50 and name c )
 ( resid 51 and name n )  54.14 31.67
 
! Y51
 assign ( resid 50 and name c ) ( resid 51 and name n )
 ( resid 51 and name ca) ( resid 51 and name c )
 ( resid 52 and name n )  56.51 42.97
 
! L52
 assign ( resid 51 and name c ) ( resid 52 and name n )
 ( resid 52 and name ca) ( resid 52 and name c )
 ( resid 53 and name n )  54.50 46.06
 
! D53
 assign ( resid 52 and name c ) ( resid 53 and name n )
 ( resid 53 and name ca) ( resid 53 and name c )
 ( resid 54 and name n )  54.37 42.77
 
! L54
 assign ( resid 53 and name c ) ( resid 54 and name n )
 ( resid 54 and name ca) ( resid 54 and name c )
 ( resid 55 and name n )  51.86 44.90
 
! P55
 assign ( resid 54 and name c ) ( resid 55 and name n )
 ( resid 55 and name ca) ( resid 55 and name c )
 ( resid 56 and name n )  62.31 33.64
 
! S56
 assign ( resid 55 and name c ) ( resid 56 and name n )
 ( resid 56 and name ca) ( resid 56 and name c )
 ( resid 57 and name n )  61.10 63.45
 
! T57
 assign ( resid 56 and name c ) ( resid 57 and name n )
 ( resid 57 and name ca) ( resid 57 and name c )
 ( resid 58 and name n )  61.19 69.24
 
! A58
 assign ( resid 57 and name c ) ( resid 58 and name n )
 ( resid 58 and name ca) ( resid 58 and name c )
 ( resid 59 and name n )  52.96 21.27
 
! T59
 assign ( resid 58 and name c ) ( resid 59 and name n )
 ( resid 59 and name ca) ( resid 59 and name c )
 ( resid 60 and name n )  59.63 69.82
 
! S60
 assign ( resid 59 and name c ) ( resid 60 and name n )
 ( resid 60 and name ca) ( resid 60 and name c )
 ( resid 61 and name n )  56.73 65.32
 
! V61
 assign ( resid 60 and name c ) ( resid 61 and name n )
 ( resid 61 and name ca) ( resid 61 and name c )
 ( resid 62 and name n )  60.68 35.00
 
! N62
 assign ( resid 61 and name c ) ( resid 62 and name n )
 ( resid 62 and name ca) ( resid 62 and name c )
 ( resid 63 and name n )  51.77 39.81
 
! I63
 assign ( resid 62 and name c ) ( resid 63 and name n )
 ( resid 63 and name ca) ( resid 63 and name c )
 ( resid 64 and name n )  58.55 37.18
 
! P64
 assign ( resid 63 and name c ) ( resid 64 and name n )
 ( resid 64 and name ca) ( resid 64 and name c )
 ( resid 65 and name n )  62.29 33.33
 
! D65
 assign ( resid 64 and name c ) ( resid 65 and name n )
 ( resid 65 and name ca) ( resid 65 and name c )
 ( resid 66 and name n )  55.14 39.32
 
! L66
 assign ( resid 65 and name c ) ( resid 66 and name n )
 ( resid 66 and name ca) ( resid 66 and name c )
 ( resid 67 and name n )  54.01 41.21
 
! L67
 assign ( resid 66 and name c ) ( resid 67 and name n )
 ( resid 67 and name ca) ( resid 67 and name c )
 ( resid 68 and name n )  52.94 42.28
 
! P68
 assign ( resid 67 and name c ) ( resid 68 and name n )
 ( resid 68 and name ca) ( resid 68 and name c )
 ( resid 69 and name n )  62.54 32.61
 
! R70
 assign ( resid 69 and name c ) ( resid 70 and name n )
 ( resid 70 and name ca) ( resid 70 and name c )
 ( resid 71 and name n )  52.48 33.35
 
! K71
 assign ( resid 70 and name c ) ( resid 71 and name n )
 ( resid 71 and name ca) ( resid 71 and name c )
 ( resid 72 and name n )  56.04 34.06
 
! Y72
 assign ( resid 71 and name c ) ( resid 72 and name n )
 ( resid 72 and name ca) ( resid 72 and name c )
 ( resid 73 and name n )  57.72 42.13
 
! I73
 assign ( resid 72 and name c ) ( resid 73 and name n )
 ( resid 73 and name ca) ( resid 73 and name c )
 ( resid 74 and name n )  60.26 39.21
 
! V74
 assign ( resid 73 and name c ) ( resid 74 and name n )
 ( resid 74 and name ca) ( resid 74 and name c )
 ( resid 75 and name n )  60.91 34.69
 
! N75
 assign ( resid 74 and name c ) ( resid 75 and name n )
 ( resid 75 and name ca) ( resid 75 and name c )
 ( resid 76 and name n )  51.71 42.81
 
! V76
 assign ( resid 75 and name c ) ( resid 76 and name n )
 ( resid 76 and name ca) ( resid 76 and name c )
 ( resid 77 and name n )  61.57 33.04
 
! Y77
 assign ( resid 76 and name c ) ( resid 77 and name n )
 ( resid 77 and name ca) ( resid 77 and name c )
 ( resid 78 and name n )  56.05 40.68
 
! Q78
 assign ( resid 77 and name c ) ( resid 78 and name n )
 ( resid 78 and name ca) ( resid 78 and name c )
 ( resid 79 and name n )  54.68 32.26
 
! I79
 assign ( resid 78 and name c ) ( resid 79 and name n )
 ( resid 79 and name ca) ( resid 79 and name c )
 ( resid 80 and name n )  59.56 37.86
 
! S80
 assign ( resid 79 and name c ) ( resid 80 and name n )
 ( resid 80 and name ca) ( resid 80 and name c )
 ( resid 81 and name n )  57.90 65.27
 
! E81
 assign ( resid 80 and name c ) ( resid 81 and name n )
 ( resid 81 and name ca) ( resid 81 and name c )
 ( resid 82 and name n )  59.41 29.52
 
! D82
 assign ( resid 81 and name c ) ( resid 82 and name n )
 ( resid 82 and name ca) ( resid 82 and name c )
 ( resid 83 and name n )  53.60 40.56
 
! E84
 assign ( resid 83 and name c ) ( resid 84 and name n )
 ( resid 84 and name ca) ( resid 84 and name c )
 ( resid 85 and name n )  56.56 30.28
 
! Q85
 assign ( resid 84 and name c ) ( resid 85 and name n )
 ( resid 85 and name ca) ( resid 85 and name c )
 ( resid 86 and name n )  54.54 31.08
 
! S86
 assign ( resid 85 and name c ) ( resid 86 and name n )
 ( resid 86 and name ca) ( resid 86 and name c )
 ( resid 87 and name n )  57.12 65.29
 
! L87
 assign ( resid 86 and name c ) ( resid 87 and name n )
 ( resid 87 and name ca) ( resid 87 and name c )
 ( resid 88 and name n )  56.28 42.53
 
! I88
 assign ( resid 87 and name c ) ( resid 88 and name n )
 ( resid 88 and name ca) ( resid 88 and name c )
 ( resid 89 and name n )  61.29 40.09
 
! L89
 assign ( resid 88 and name c ) ( resid 89 and name n )
 ( resid 89 and name ca) ( resid 89 and name c )
 ( resid 90 and name n )  56.10 45.40
 
! S90
 assign ( resid 89 and name c ) ( resid 90 and name n )
 ( resid 90 and name ca) ( resid 90 and name c )
 ( resid 91 and name n )  56.96 65.14
 
! T91
 assign ( resid 90 and name c ) ( resid 91 and name n )
 ( resid 91 and name ca) ( resid 91 and name c )
 ( resid 92 and name n )  59.65 70.07
 
! S92
 assign ( resid 91 and name c ) ( resid 92 and name n )
 ( resid 92 and name ca) ( resid 92 and name c )
 ( resid 93 and name n )  56.71 65.82
 
! Q93
 assign ( resid 92 and name c ) ( resid 93 and name n )
 ( resid 93 and name ca) ( resid 93 and name c )
 ( resid 94 and name n )  54.76 32.42
 
! T94
 assign ( resid 93 and name c ) ( resid 94 and name n )
 ( resid 94 and name ca) ( resid 94 and name c )
 ( resid 95 and name n )  60.95 70.28
 


  Entry H atom name         Submitted Coord H atom name
    1    H1   GLY   1           HT1      GLY   1  24.148  11.395 -14.834
    2    H2   GLY   1           HT2      GLY   1  22.735  11.504 -13.895
    3    H3   GLY   1           HT3      GLY   1  23.196  12.800 -14.889
    4    HA2  GLY   1           HA2      GLY   1  21.895  11.979 -16.457
    5    HA3  GLY   1           HA1      GLY   1  23.029  10.626 -16.576
    6    HA   PRO   2           HA       PRO   2  18.968   9.056 -14.978
    7    HB2  PRO   2           HB2      PRO   2  18.588   7.075 -16.800
    8    HB3  PRO   2           HB1      PRO   2  18.121   8.755 -17.137
    9    HG2  PRO   2           HG2      PRO   2  20.559   7.260 -17.994
   10    HG3  PRO   2           HG1      PRO   2  19.534   8.366 -18.920
   11    HD2  PRO   2           HD2      PRO   2  21.924   9.124 -17.817
   12    HD3  PRO   2           HD1      PRO   2  20.576  10.258 -18.069
   13    H    LEU   3           HN       LEU   3  22.020   8.281 -14.593
   14    HA   LEU   3           HA       LEU   3  23.145   6.227 -14.108
   15    HB2  LEU   3           HB2      LEU   3  21.273   5.787 -11.885
   16    HB3  LEU   3           HB1      LEU   3  22.992   6.190 -11.843
   17    HG   LEU   3           HG       LEU   3  20.904   8.256 -12.538
   18   HD11  LEU   3          HD11      LEU   3  22.038   7.593  -9.794
   19   HD12  LEU   3          HD12      LEU   3  20.363   7.362 -10.293
   20   HD13  LEU   3          HD13      LEU   3  21.027   8.990 -10.167
   21   HD21  LEU   3          HD21      LEU   3  23.126   9.331 -11.190
   22   HD22  LEU   3          HD22      LEU   3  22.772   9.452 -12.913
   23   HD23  LEU   3          HD23      LEU   3  23.791   8.146 -12.311
   24    H    GLY   4           HN       GLY   4  20.643   6.106 -15.837
   25    HA2  GLY   4           HA2      GLY   4  19.416   4.452 -16.878
   26    HA3  GLY   4           HA1      GLY   4  20.440   3.274 -16.057
   27    H    SER   5           HN       SER   5  18.977   5.627 -14.110
   28    HA   SER   5           HA       SER   5  16.721   5.528 -13.146
   29    HB2  SER   5           HB2      SER   5  15.601   3.595 -13.462
   30    HB3  SER   5           HB1      SER   5  17.081   2.784 -13.973
   31    HG   SER   5           HG       SER   5  17.461   2.943 -11.501
   32    H    HIS   6           HN       HIS   6  19.593   3.670 -12.369
   33    HA   HIS   6           HA       HIS   6  20.824   3.418 -10.445
   34    HB2  HIS   6           HB2      HIS   6  19.661   5.658  -8.955
   35    HB3  HIS   6           HB1      HIS   6  21.335   5.369  -9.397
   36    HD1  HIS   6           HD1      HIS   6  20.712   8.145  -9.642
   37    HD2  HIS   6           HD2      HIS   6  19.635   5.544 -12.716
   38    HE1  HIS   6           HE1      HIS   6  20.464   9.567 -11.714
   39    HE2  HIS   6           HE2      HIS   6  19.806   8.003 -13.605
   40    H    LEU   7           HN       LEU   7  17.745   2.667 -10.708
   41    HA   LEU   7           HA       LEU   7  16.041   2.205  -9.123
   42    HB2  LEU   7           HB2      LEU   7  18.121   0.786  -7.528
   43    HB3  LEU   7           HB1      LEU   7  16.576   0.193  -8.130
   44    HG   LEU   7           HG       LEU   7  18.023  -0.993  -9.502
   45   HD11  LEU   7          HD11      LEU   7  17.717   1.658 -10.970
   46   HD12  LEU   7          HD12      LEU   7  16.545   0.341 -10.951
   47   HD13  LEU   7          HD13      LEU   7  18.109   0.107 -11.721
   48   HD21  LEU   7          HD21      LEU   7  19.966   0.986 -10.343
   49   HD22  LEU   7          HD22      LEU   7  20.230  -0.543  -9.507
   50   HD23  LEU   7          HD23      LEU   7  19.896   0.918  -8.581
   51    H    VAL   8           HN       VAL   8  18.627   4.046  -8.701
   52    HA   VAL   8           HA       VAL   8  19.562   5.120  -6.770
   53    HB   VAL   8           HB       VAL   8  18.135   6.509  -8.454
   54   HG11  VAL   8          HG11      VAL   8  16.358   7.603  -6.606
   55   HG12  VAL   8          HG12      VAL   8  16.193   5.865  -6.368
   56   HG13  VAL   8          HG13      VAL   8  15.927   6.566  -7.965
   57   HG21  VAL   8          HG21      VAL   8  18.207   8.450  -6.629
   58   HG22  VAL   8          HG22      VAL   8  19.690   7.762  -7.294
   59   HG23  VAL   8          HG23      VAL   8  19.098   7.232  -5.721
   60    H    ALA   9           HN       ALA   9  16.109   4.400  -6.410
   61    HA   ALA   9           HA       ALA   9  15.473   4.861  -3.893
   62    HB1  ALA   9           HB1      ALA   9  14.602   3.069  -5.723
   63    HB2  ALA   9           HB2      ALA   9  14.022   3.106  -4.060
   64    HB3  ALA   9           HB3      ALA   9  15.291   1.975  -4.524
   65    H    THR  10           HN       THR  10  16.925   1.668  -4.364
   66    HA   THR  10           HA       THR  10  19.009   0.946  -3.409
   67    HB   THR  10           HB       THR  10  19.588   3.248  -2.678
   68    HG1  THR  10           HG1      THR  10  20.986   2.170  -1.556
   69   HG21  THR  10          HG21      THR  10  17.924   4.268  -1.465
   70   HG22  THR  10          HG22      THR  10  18.626   3.428  -0.085
   71   HG23  THR  10          HG23      THR  10  17.251   2.726  -0.940
   72    H    SER  11           HN       SER  11  18.157   1.868  -0.344
   73    HA   SER  11           HA       SER  11  17.896  -0.488   0.894
   74    HB2  SER  11           HB2      SER  11  17.370   0.828   2.627
   75    HB3  SER  11           HB1      SER  11  17.338   2.171   1.488
   76    HG   SER  11           HG       SER  11  15.288   2.256   1.872
   77    H    GLU  12           HN       GLU  12  16.770  -2.232   0.414
   78    HA   GLU  12           HA       GLU  12  14.918  -3.081  -1.089
   79    HB2  GLU  12           HB2      GLU  12  14.170  -3.161   1.838
   80    HB3  GLU  12           HB1      GLU  12  13.849  -4.380   0.607
   81    HG2  GLU  12           HG2      GLU  12  16.421  -4.529   0.366
   82    HG3  GLU  12           HG1      GLU  12  16.480  -3.668   1.903
   83    H    SER  13           HN       SER  13  14.072  -0.884  -1.972
   84    HA   SER  13           HA       SER  13  12.423   0.924  -1.054
   85    HB2  SER  13           HB2      SER  13  10.903   0.684  -2.908
   86    HB3  SER  13           HB1      SER  13  12.494   0.190  -3.481
   87    HG   SER  13           HG       SER  13  11.278  -1.474  -4.081
   88    H    VAL  14           HN       VAL  14  12.359  -2.237  -0.168
   89    HA   VAL  14           HA       VAL  14   9.692  -2.069   1.101
   90    HB   VAL  14           HB       VAL  14  10.950  -4.720   0.909
   91   HG11  VAL  14          HG11      VAL  14   8.353  -4.212  -0.371
   92   HG12  VAL  14          HG12      VAL  14   8.432  -3.678   1.308
   93   HG13  VAL  14          HG13      VAL  14   8.777  -5.358   0.900
   94   HG21  VAL  14          HG21      VAL  14   9.943  -4.539  -1.645
   95   HG22  VAL  14          HG22      VAL  14  11.657  -4.472  -1.238
   96   HG23  VAL  14          HG23      VAL  14  10.745  -2.979  -1.463
   97    H    THR  15           HN       THR  15  10.332  -1.164   3.063
   98    HA   THR  15           HA       THR  15  12.574  -2.386   4.496
   99    HB   THR  15           HB       THR  15  10.922   0.091   4.900
  100    HG1  THR  15           HG1      THR  15  12.892   1.029   4.683
  101   HG21  THR  15          HG21      THR  15  12.925  -0.981   6.896
  102   HG22  THR  15          HG22      THR  15  11.187  -1.216   7.073
  103   HG23  THR  15          HG23      THR  15  11.861   0.413   7.077
  104    H    GLU  16           HN       GLU  16   9.469  -1.211   5.738
  105    HA   GLU  16           HA       GLU  16   9.164  -2.701   7.946
  106    HB2  GLU  16           HB2      GLU  16   6.970  -2.290   5.897
  107    HB3  GLU  16           HB1      GLU  16   6.736  -2.660   7.605
  108    HG2  GLU  16           HG2      GLU  16   7.757  -0.135   6.340
  109    HG3  GLU  16           HG1      GLU  16   6.524  -0.335   7.584
  110    H    ILE  17           HN       ILE  17  10.566  -4.596   7.187
  111    HA   ILE  17           HA       ILE  17   9.136  -6.642   5.683
  112    HB   ILE  17           HB       ILE  17  11.781  -6.855   7.149
  113   HG12  ILE  17          HG12      ILE  17  11.254  -6.224   4.227
  114   HG13  ILE  17          HG11      ILE  17  11.789  -5.049   5.430
  115   HG21  ILE  17          HG21      ILE  17  11.665  -8.509   4.870
  116   HG22  ILE  17          HG22      ILE  17  10.114  -8.711   5.686
  117   HG23  ILE  17          HG23      ILE  17  11.617  -9.018   6.557
  118   HD11  ILE  17          HD11      ILE  17  13.778  -6.527   5.881
  119   HD12  ILE  17          HD12      ILE  17  13.750  -5.842   4.256
  120   HD13  ILE  17          HD13      ILE  17  13.279  -7.522   4.514
  121    H    THR  18           HN       THR  18   9.699  -5.705   8.965
  122    HA   THR  18           HA       THR  18   9.489  -8.018  10.424
  123    HB   THR  18           HB       THR  18   8.251  -6.648  12.120
  124    HG1  THR  18           HG1      THR  18   8.009  -4.406  11.486
  125   HG21  THR  18          HG21      THR  18  10.811  -5.967  10.838
  126   HG22  THR  18          HG22      THR  18  10.436  -6.211  12.544
  127   HG23  THR  18          HG23      THR  18  10.109  -4.655  11.784
  128    H    ALA  19           HN       ALA  19   7.903  -9.491  10.894
  129    HA   ALA  19           HA       ALA  19   5.966 -10.699  10.559
  130    HB1  ALA  19           HB1      ALA  19   4.377  -8.207  10.196
  131    HB2  ALA  19           HB2      ALA  19   5.223  -8.405  11.730
  132    HB3  ALA  19           HB3      ALA  19   4.049  -9.613  11.209
  133    H    SER  20           HN       SER  20   7.551  -9.375   8.251
  134    HA   SER  20           HA       SER  20   7.490  -9.508   5.956
  135    HB2  SER  20           HB2      SER  20   5.220 -10.675   5.109
  136    HB3  SER  20           HB1      SER  20   6.596 -11.594   5.713
  137    HG   SER  20           HG       SER  20   4.171 -11.590   6.660
  138    H    SER  21           HN       SER  21   6.305  -7.320   7.540
  139    HA   SER  21           HA       SER  21   3.933  -6.311   6.514
  140    HB2  SER  21           HB2      SER  21   4.452  -4.467   7.720
  141    HB3  SER  21           HB1      SER  21   5.811  -5.431   8.292
  142    HG   SER  21           HG       SER  21   5.827  -3.749   6.000
  143    H    PHE  22           HN       PHE  22   3.725  -4.366   5.097
  144    HA   PHE  22           HA       PHE  22   5.567  -4.450   2.781
  145    HB2  PHE  22           HB2      PHE  22   2.554  -4.617   2.824
  146    HB3  PHE  22           HB1      PHE  22   3.404  -3.970   1.429
  147    HD1  PHE  22           HD1      PHE  22   5.757  -6.173   2.466
  148    HD2  PHE  22           HD2      PHE  22   1.732  -6.203   0.969
  149    HE1  PHE  22           HE1      PHE  22   6.090  -8.476   1.605
  150    HE2  PHE  22           HE2      PHE  22   2.062  -8.505   0.114
  151    HZ   PHE  22           HZ       PHE  22   4.237  -9.638   0.428
  152    H    VAL  23           HN       VAL  23   5.860  -2.464   1.752
  153    HA   VAL  23           HA       VAL  23   4.413  -0.174   2.937
  154    HB   VAL  23           HB       VAL  23   7.350  -0.394   2.263
  155   HG11  VAL  23          HG11      VAL  23   7.219   2.126   2.975
  156   HG12  VAL  23          HG12      VAL  23   5.533   1.994   2.473
  157   HG13  VAL  23          HG13      VAL  23   6.827   1.687   1.313
  158   HG21  VAL  23          HG21      VAL  23   6.216  -0.938   4.584
  159   HG22  VAL  23          HG22      VAL  23   6.118   0.818   4.723
  160   HG23  VAL  23          HG23      VAL  23   7.687   0.033   4.538
  161    H    VAL  24           HN       VAL  24   2.972   0.222   1.353
  162    HA   VAL  24           HA       VAL  24   4.006   0.459  -1.405
  163    HB   VAL  24           HB       VAL  24   1.227  -0.151  -0.380
  164   HG11  VAL  24          HG11      VAL  24   2.079   1.095  -2.832
  165   HG12  VAL  24          HG12      VAL  24   0.445   0.666  -2.326
  166   HG13  VAL  24          HG13      VAL  24   1.439  -0.510  -3.187
  167   HG21  VAL  24          HG21      VAL  24   1.961  -2.105  -2.159
  168   HG22  VAL  24          HG22      VAL  24   2.147  -2.236  -0.411
  169   HG23  VAL  24          HG23      VAL  24   3.508  -1.721  -1.407
  170    H    SER  25           HN       SER  25   3.699   2.291  -2.540
  171    HA   SER  25           HA       SER  25   2.217   4.495  -1.245
  172    HB2  SER  25           HB2      SER  25   3.933   6.055  -1.859
  173    HB3  SER  25           HB1      SER  25   4.725   4.722  -1.024
  174    HG   SER  25           HG       SER  25   5.226   3.854  -3.086
  175    H    TRP  26           HN       TRP  26   1.278   6.020  -2.708
  176    HA   TRP  26           HA       TRP  26   1.340   5.319  -5.556
  177    HB2  TRP  26           HB2      TRP  26  -1.177   5.423  -5.612
  178    HB3  TRP  26           HB1      TRP  26  -0.524   4.015  -4.772
  179    HD1  TRP  26           HD1      TRP  26  -2.264   7.350  -4.138
  180    HE1  TRP  26           HE1      TRP  26  -3.188   7.369  -1.732
  181    HE3  TRP  26           HE3      TRP  26  -0.229   3.010  -2.383
  182    HZ2  TRP  26           HZ2      TRP  26  -3.078   5.751   0.629
  183    HZ3  TRP  26           HZ3      TRP  26  -0.653   2.272  -0.056
  184    HH2  TRP  26           HH2      TRP  26  -2.073   3.636   1.451
  185    H    VAL  27           HN       VAL  27  -0.720   6.963  -6.403
  186    HA   VAL  27           HA       VAL  27   0.141   9.637  -5.474
  187    HB   VAL  27           HB       VAL  27  -0.588   8.851  -8.305
  188   HG11  VAL  27          HG11      VAL  27   0.127  11.397  -6.905
  189   HG12  VAL  27          HG12      VAL  27  -1.017  11.123  -8.219
  190   HG13  VAL  27          HG13      VAL  27   0.714  11.162  -8.551
  191   HG21  VAL  27          HG21      VAL  27   2.152   9.594  -7.264
  192   HG22  VAL  27          HG22      VAL  27   1.735   8.852  -8.808
  193   HG23  VAL  27          HG23      VAL  27   1.605   7.918  -7.318
  194    H    SER  28           HN       SER  28  -1.454  10.913  -4.787
  195    HA   SER  28           HA       SER  28  -4.126  10.090  -4.590
  196    HB2  SER  28           HB2      SER  28  -4.525  12.620  -4.224
  197    HB3  SER  28           HB1      SER  28  -3.483  11.770  -3.088
  198    HG   SER  28           HG       SER  28  -2.335  12.870  -5.387
  199    H    ALA  29           HN       ALA  29  -3.854   9.422  -7.071
  200    HA   ALA  29           HA       ALA  29  -4.068  11.001  -9.238
  201    HB1  ALA  29           HB1      ALA  29  -6.174   8.902  -8.925
  202    HB2  ALA  29           HB2      ALA  29  -4.477   8.425  -8.916
  203    HB3  ALA  29           HB3      ALA  29  -5.150   9.263 -10.314
  204    H    SER  30           HN       SER  30  -5.431  12.233  -6.823
  205    HA   SER  30           HA       SER  30  -7.330  13.778  -8.193
  206    HB2  SER  30           HB2      SER  30  -8.363  11.279  -7.002
  207    HB3  SER  30           HB1      SER  30  -9.279  12.735  -6.623
  208    HG   SER  30           HG       SER  30  -9.607  11.417  -8.727
  209    H    ASP  31           HN       ASP  31  -7.518  15.617  -7.096
  210    HA   ASP  31           HA       ASP  31  -6.554  15.741  -4.350
  211    HB2  ASP  31           HB2      ASP  31  -7.268  17.767  -6.450
  212    HB3  ASP  31           HB1      ASP  31  -7.107  18.255  -4.765
  213    H    THR  32           HN       THR  32  -9.498  15.266  -5.897
  214    HA   THR  32           HA       THR  32 -11.130  16.651  -3.928
  215    HB   THR  32           HB       THR  32 -13.002  15.576  -5.227
  216    HG1  THR  32           HG1      THR  32 -11.078  14.059  -6.059
  217   HG21  THR  32          HG21      THR  32 -12.719  17.032  -7.169
  218   HG22  THR  32          HG22      THR  32 -10.985  17.136  -6.861
  219   HG23  THR  32          HG23      THR  32 -12.127  17.851  -5.723
  220    H    VAL  33           HN       VAL  33  -9.368  13.897  -3.899
  221    HA   VAL  33           HA       VAL  33 -11.151  11.957  -2.862
  222    HB   VAL  33           HB       VAL  33  -9.027  11.237  -3.695
  223   HG11  VAL  33          HG11      VAL  33  -7.574  13.046  -3.542
  224   HG12  VAL  33          HG12      VAL  33  -6.957  12.009  -2.255
  225   HG13  VAL  33          HG13      VAL  33  -7.999  13.378  -1.863
  226   HG21  VAL  33          HG21      VAL  33  -8.479   9.751  -2.020
  227   HG22  VAL  33          HG22      VAL  33 -10.000  10.354  -1.365
  228   HG23  VAL  33          HG23      VAL  33  -8.468  10.997  -0.773
  229    H    SER  34           HN       SER  34 -11.864  11.571  -0.824
  230    HA   SER  34           HA       SER  34 -11.330  13.654   1.181
  231    HB2  SER  34           HB2      SER  34 -13.421  11.469   1.040
  232    HB3  SER  34           HB1      SER  34 -13.265  12.608   2.375
  233    HG   SER  34           HG       SER  34 -13.330  14.219   0.511
  234    H    GLY  35           HN       GLY  35 -10.473  10.490   0.373
  235    HA2  GLY  35           HA2      GLY  35  -8.602  10.168   2.428
  236    HA3  GLY  35           HA1      GLY  35 -10.064   9.284   2.882
  237    H    PHE  36           HN       PHE  36  -7.966   7.724   2.575
  238    HA   PHE  36           HA       PHE  36  -8.326   6.526  -0.106
  239    HB2  PHE  36           HB2      PHE  36  -5.829   6.764   1.573
  240    HB3  PHE  36           HB1      PHE  36  -5.972   5.621   0.237
  241    HD1  PHE  36           HD1      PHE  36  -6.347   6.439  -2.085
  242    HD2  PHE  36           HD2      PHE  36  -5.605   9.125   1.183
  243    HE1  PHE  36           HE1      PHE  36  -5.836   8.255  -3.694
  244    HE2  PHE  36           HE2      PHE  36  -5.095  10.939  -0.422
  245    HZ   PHE  36           HZ       PHE  36  -5.208  10.506  -2.867
  246    H    ARG  37           HN       ARG  37  -8.317   4.254  -0.213
  247    HA   ARG  37           HA       ARG  37  -8.542   2.863   2.379
  248    HB2  ARG  37           HB2      ARG  37 -10.805   3.394   1.340
  249    HB3  ARG  37           HB1      ARG  37 -10.363   2.282   0.042
  250    HG2  ARG  37           HG2      ARG  37 -10.035   0.477   1.675
  251    HG3  ARG  37           HG1      ARG  37 -10.429   1.582   2.992
  252    HD2  ARG  37           HD2      ARG  37 -12.478   0.529   2.626
  253    HD3  ARG  37           HD1      ARG  37 -12.636   1.983   1.645
  254    HE   ARG  37           HE       ARG  37 -11.672   0.301  -0.172
  255   HH11  ARG  37          HH21      ARG  37 -14.026  -0.179   2.315
  256   HH12  ARG  37          HH22      ARG  37 -14.913  -1.378   1.435
  257   HH21  ARG  37          HH11      ARG  37 -12.829  -1.270  -1.332
  258   HH22  ARG  37          HH12      ARG  37 -14.236  -1.995  -0.629
  259    H    VAL  38           HN       VAL  38  -7.158   1.261   2.478
  260    HA   VAL  38           HA       VAL  38  -6.144   0.108  -0.042
  261    HB   VAL  38           HB       VAL  38  -4.941  -0.003   2.734
  262   HG11  VAL  38          HG11      VAL  38  -3.589  -0.607   0.105
  263   HG12  VAL  38          HG12      VAL  38  -4.466  -1.860   0.984
  264   HG13  VAL  38          HG13      VAL  38  -3.082  -1.063   1.732
  265   HG21  VAL  38          HG21      VAL  38  -4.574   2.206   2.158
  266   HG22  VAL  38          HG22      VAL  38  -4.686   1.882   0.429
  267   HG23  VAL  38          HG23      VAL  38  -3.216   1.469   1.309
  268    H    GLU  39           HN       GLU  39  -6.363  -2.001  -0.492
  269    HA   GLU  39           HA       GLU  39  -7.548  -3.743   1.580
  270    HB2  GLU  39           HB2      GLU  39  -9.244  -2.969  -0.107
  271    HB3  GLU  39           HB1      GLU  39  -8.292  -3.779  -1.352
  272    HG2  GLU  39           HG2      GLU  39  -8.462  -5.867   0.183
  273    HG3  GLU  39           HG1      GLU  39  -9.781  -5.000   0.966
  274    H    TYR  40           HN       TYR  40  -6.511  -5.610   1.857
  275    HA   TYR  40           HA       TYR  40  -4.848  -6.664  -0.329
  276    HB2  TYR  40           HB2      TYR  40  -3.028  -7.131   1.295
  277    HB3  TYR  40           HB1      TYR  40  -3.317  -5.404   1.082
  278    HD1  TYR  40           HD2      TYR  40  -4.661  -4.144   2.792
  279    HD2  TYR  40           HD1      TYR  40  -3.382  -8.199   3.405
  280    HE1  TYR  40           HE2      TYR  40  -5.092  -3.913   5.224
  281    HE2  TYR  40           HE1      TYR  40  -3.813  -7.968   5.836
  282    HH   TYR  40           HH       TYR  40  -3.880  -5.857   7.498
  283    H    GLU  41           HN       GLU  41  -4.927  -8.814  -0.534
  284    HA   GLU  41           HA       GLU  41  -5.864 -10.474   1.688
  285    HB2  GLU  41           HB2      GLU  41  -7.627 -11.495   0.437
  286    HB3  GLU  41           HB1      GLU  41  -7.863  -9.752   0.302
  287    HG2  GLU  41           HG2      GLU  41  -6.624  -9.809  -1.875
  288    HG3  GLU  41           HG1      GLU  41  -6.571 -11.566  -1.753
  289    H    LEU  42           HN       LEU  42  -5.531 -12.798   1.227
  290    HA   LEU  42           HA       LEU  42  -2.983 -13.220   0.008
  291    HB2  LEU  42           HB2      LEU  42  -5.048 -15.107   1.143
  292    HB3  LEU  42           HB1      LEU  42  -3.500 -15.652   0.491
  293    HG   LEU  42           HG       LEU  42  -3.768 -13.555   2.663
  294   HD11  LEU  42          HD11      LEU  42  -3.044 -16.487   2.914
  295   HD12  LEU  42          HD12      LEU  42  -4.590 -15.789   3.395
  296   HD13  LEU  42          HD13      LEU  42  -3.110 -15.311   4.226
  297   HD21  LEU  42          HD21      LEU  42  -1.619 -13.201   2.019
  298   HD22  LEU  42          HD22      LEU  42  -1.568 -14.690   1.074
  299   HD23  LEU  42          HD23      LEU  42  -1.277 -14.738   2.813
  300    H    SER  43           HN       SER  43  -2.524 -13.628  -2.029
  301    HA   SER  43           HA       SER  43  -4.551 -13.844  -4.033
  302    HB2  SER  43           HB2      SER  43  -2.785 -13.771  -5.579
  303    HB3  SER  43           HB1      SER  43  -2.162 -12.857  -4.208
  304    HG   SER  43           HG       SER  43  -1.749 -15.580  -4.089
  305    H    GLU  44           HN       GLU  44  -3.252 -16.105  -1.926
  306    HA   GLU  44           HA       GLU  44  -3.719 -18.331  -3.811
  307    HB2  GLU  44           HB2      GLU  44  -2.191 -18.302  -1.198
  308    HB3  GLU  44           HB1      GLU  44  -2.377 -19.691  -2.268
  309    HG2  GLU  44           HG2      GLU  44  -1.092 -18.689  -3.985
  310    HG3  GLU  44           HG1      GLU  44  -1.231 -17.085  -3.267
  311    H    GLU  45           HN       GLU  45  -3.898 -17.969  -0.271
  312    HA   GLU  45           HA       GLU  45  -5.896 -19.898   0.087
  313    HB2  GLU  45           HB2      GLU  45  -5.226 -17.529   1.842
  314    HB3  GLU  45           HB1      GLU  45  -6.103 -18.974   2.339
  315    HG2  GLU  45           HG2      GLU  45  -4.157 -20.369   1.831
  316    HG3  GLU  45           HG1      GLU  45  -3.274 -18.955   1.256
  317    H    GLY  46           HN       GLY  46  -6.113 -16.429  -0.492
  318    HA2  GLY  46           HA2      GLY  46  -7.923 -15.218  -1.308
  319    HA3  GLY  46           HA1      GLY  46  -8.884 -16.694  -1.273
  320    H    ASP  47           HN       ASP  47  -7.329 -16.295   1.659
  321    HA   ASP  47           HA       ASP  47  -9.311 -16.270   3.405
  322    HB2  ASP  47           HB2      ASP  47  -7.005 -15.980   4.129
  323    HB3  ASP  47           HB1      ASP  47  -6.987 -14.333   3.504
  324    H    GLU  48           HN       GLU  48  -9.808 -14.032   4.816
  325    HA   GLU  48           HA       GLU  48 -11.648 -12.618   3.091
  326    HB2  GLU  48           HB2      GLU  48 -12.108 -11.386   5.323
  327    HB3  GLU  48           HB1      GLU  48 -12.591 -13.075   5.175
  328    HG2  GLU  48           HG2      GLU  48  -9.901 -12.252   6.257
  329    HG3  GLU  48           HG1      GLU  48 -11.308 -12.450   7.298
  330    HA   PRO  49           HA       PRO  49  -8.916  -9.271   2.261
  331    HB2  PRO  49           HB2      PRO  49 -10.782  -7.429   1.473
  332    HB3  PRO  49           HB1      PRO  49 -10.272  -8.795   0.463
  333    HG2  PRO  49           HG2      PRO  49 -12.719  -8.481   2.125
  334    HG3  PRO  49           HG1      PRO  49 -12.523  -9.230   0.532
  335    HD2  PRO  49           HD2      PRO  49 -12.713 -10.681   2.856
  336    HD3  PRO  49           HD1      PRO  49 -11.839 -11.251   1.417
  337    H    GLN  50           HN       GLN  50  -8.137  -7.427   3.243
  338    HA   GLN  50           HA       GLN  50  -9.641  -6.450   5.596
  339    HB2  GLN  50           HB2      GLN  50  -6.642  -6.563   5.168
  340    HB3  GLN  50           HB1      GLN  50  -7.451  -5.904   6.591
  341    HG2  GLN  50           HG2      GLN  50  -7.939  -7.966   7.427
  342    HG3  GLN  50           HG1      GLN  50  -8.291  -8.635   5.835
  343   HE21  GLN  50          HE21      GLN  50  -6.669  -9.904   4.866
  344   HE22  GLN  50          HE22      GLN  50  -5.093 -10.060   5.476
  345    H    TYR  51           HN       TYR  51  -9.737  -4.209   5.910
  346    HA   TYR  51           HA       TYR  51  -8.739  -2.607   3.633
  347    HB2  TYR  51           HB2      TYR  51 -11.281  -2.092   5.183
  348    HB3  TYR  51           HB1      TYR  51 -10.729  -1.262   3.728
  349    HD1  TYR  51           HD2      TYR  51 -10.584  -2.512   1.557
  350    HD2  TYR  51           HD1      TYR  51 -12.397  -4.203   5.065
  351    HE1  TYR  51           HE2      TYR  51 -11.701  -4.224   0.154
  352    HE2  TYR  51           HE1      TYR  51 -13.515  -5.915   3.662
  353    HH   TYR  51           HH       TYR  51 -14.195  -5.833   0.857
  354    H    LEU  52           HN       LEU  52  -7.825  -0.681   4.041
  355    HA   LEU  52           HA       LEU  52  -7.654   0.220   6.848
  356    HB2  LEU  52           HB2      LEU  52  -5.402   0.226   4.818
  357    HB3  LEU  52           HB1      LEU  52  -5.312   0.831   6.473
  358    HG   LEU  52           HG       LEU  52  -6.012  -2.026   5.755
  359   HD11  LEU  52          HD11      LEU  52  -3.615  -2.250   6.923
  360   HD12  LEU  52          HD12      LEU  52  -3.407  -0.644   6.225
  361   HD13  LEU  52          HD13      LEU  52  -3.775  -2.017   5.182
  362   HD21  LEU  52          HD21      LEU  52  -5.976  -2.453   8.058
  363   HD22  LEU  52          HD22      LEU  52  -6.722  -0.856   7.992
  364   HD23  LEU  52          HD23      LEU  52  -5.015  -1.016   8.407
  365    H    ASP  53           HN       ASP  53  -8.247   2.276   7.088
  366    HA   ASP  53           HA       ASP  53  -8.648   3.871   4.649
  367    HB2  ASP  53           HB2      ASP  53  -9.758   4.344   7.418
  368    HB3  ASP  53           HB1      ASP  53 -10.200   5.198   5.941
  369    H    LEU  54           HN       LEU  54  -7.545   5.631   4.227
  370    HA   LEU  54           HA       LEU  54  -5.899   6.866   6.345
  371    HB2  LEU  54           HB2      LEU  54  -5.020   6.755   3.469
  372    HB3  LEU  54           HB1      LEU  54  -4.045   7.019   4.916
  373    HG   LEU  54           HG       LEU  54  -5.513   4.422   4.469
  374   HD11  LEU  54          HD11      LEU  54  -3.751   5.244   2.629
  375   HD12  LEU  54          HD12      LEU  54  -3.818   3.565   3.162
  376   HD13  LEU  54          HD13      LEU  54  -2.607   4.656   3.834
  377   HD21  LEU  54          HD21      LEU  54  -2.927   4.944   5.942
  378   HD22  LEU  54          HD22      LEU  54  -4.034   3.583   6.123
  379   HD23  LEU  54          HD23      LEU  54  -4.493   5.178   6.720
  380    HA   PRO  55           HA       PRO  55  -7.739  10.641   5.048
  381    HB2  PRO  55           HB2      PRO  55  -5.659  12.411   5.382
  382    HB3  PRO  55           HB1      PRO  55  -6.631  11.752   6.709
  383    HG2  PRO  55           HG2      PRO  55  -3.913  11.008   5.803
  384    HG3  PRO  55           HG1      PRO  55  -4.603  11.011   7.433
  385    HD2  PRO  55           HD2      PRO  55  -4.236   8.730   5.913
  386    HD3  PRO  55           HD1      PRO  55  -5.424   8.875   7.226
  387    H    SER  56           HN       SER  56  -7.772  12.272   3.415
  388    HA   SER  56           HA       SER  56  -6.942  11.428   0.866
  389    HB2  SER  56           HB2      SER  56  -7.499  13.817   0.191
  390    HB3  SER  56           HB1      SER  56  -8.789  12.920   0.987
  391    HG   SER  56           HG       SER  56  -7.663  13.934   2.972
  392    H    THR  57           HN       THR  57  -5.149  12.868   3.346
  393    HA   THR  57           HA       THR  57  -3.213  14.119   1.542
  394    HB   THR  57           HB       THR  57  -2.143  14.934   3.564
  395    HG1  THR  57           HG1      THR  57  -2.827  12.853   4.673
  396   HG21  THR  57          HG21      THR  57  -3.761  16.484   4.068
  397   HG22  THR  57          HG22      THR  57  -5.013  15.261   4.284
  398   HG23  THR  57          HG23      THR  57  -4.534  15.756   2.660
  399    H    ALA  58           HN       ALA  58  -3.805  11.088   2.852
  400    HA   ALA  58           HA       ALA  58  -1.034  10.307   3.222
  401    HB1  ALA  58           HB1      ALA  58  -3.052   9.362   4.496
  402    HB2  ALA  58           HB2      ALA  58  -1.874   8.200   3.886
  403    HB3  ALA  58           HB3      ALA  58  -3.396   8.445   3.030
  404    H    THR  59           HN       THR  59   0.246   9.290   1.767
  405    HA   THR  59           HA       THR  59  -0.972   8.402  -0.771
  406    HB   THR  59           HB       THR  59   1.061   9.327  -1.940
  407    HG1  THR  59           HG1      THR  59   1.354  10.584   0.584
  408   HG21  THR  59          HG21      THR  59   0.173  11.581  -2.055
  409   HG22  THR  59          HG22      THR  59  -0.632  11.386  -0.499
  410   HG23  THR  59          HG23      THR  59  -1.177  10.458  -1.897
  411    H    SER  60           HN       SER  60   0.266   7.208   1.810
  412    HA   SER  60           HA       SER  60   1.465   4.948   0.541
  413    HB2  SER  60           HB2      SER  60   3.702   5.128   1.301
  414    HB3  SER  60           HB1      SER  60   3.343   6.702   0.592
  415    HG   SER  60           HG       SER  60   3.465   7.580   2.509
  416    H    VAL  61           HN       VAL  61   1.602   3.190   1.971
  417    HA   VAL  61           HA       VAL  61   1.104   3.654   4.808
  418    HB   VAL  61           HB       VAL  61  -1.140   3.612   3.605
  419   HG11  VAL  61          HG11      VAL  61  -1.853   1.725   2.507
  420   HG12  VAL  61          HG12      VAL  61  -0.910   0.645   3.533
  421   HG13  VAL  61          HG13      VAL  61  -0.123   1.532   2.228
  422   HG21  VAL  61          HG21      VAL  61  -0.326   1.755   5.830
  423   HG22  VAL  61          HG22      VAL  61  -2.000   1.787   5.279
  424   HG23  VAL  61          HG23      VAL  61  -1.256   3.251   5.922
  425    H    ASN  62           HN       ASN  62   1.516   1.878   6.118
  426    HA   ASN  62           HA       ASN  62   3.040  -0.282   4.802
  427    HB2  ASN  62           HB2      ASN  62   4.381   0.966   6.376
  428    HB3  ASN  62           HB1      ASN  62   3.144   0.814   7.622
  429   HD21  ASN  62          HD21      ASN  62   4.261  -1.763   5.395
  430   HD22  ASN  62          HD22      ASN  62   4.860  -2.771   6.621
  431    H    ILE  63           HN       ILE  63   2.162  -2.262   4.787
  432    HA   ILE  63           HA       ILE  63  -0.184  -2.784   6.474
  433    HB   ILE  63           HB       ILE  63   0.797  -4.572   4.268
  434   HG12  ILE  63          HG12      ILE  63  -0.663  -1.939   4.080
  435   HG13  ILE  63          HG11      ILE  63   0.666  -2.538   3.089
  436   HG21  ILE  63          HG21      ILE  63  -1.068  -5.683   4.848
  437   HG22  ILE  63          HG22      ILE  63  -2.030  -4.264   4.438
  438   HG23  ILE  63          HG23      ILE  63  -1.421  -4.475   6.081
  439   HD11  ILE  63          HD11      ILE  63  -0.952  -4.377   2.315
  440   HD12  ILE  63          HD12      ILE  63  -1.258  -2.749   1.712
  441   HD13  ILE  63          HD13      ILE  63  -2.229  -3.395   3.034
  442    HA   PRO  64           HA       PRO  64   2.693  -5.448   8.689
  443    HB2  PRO  64           HB2      PRO  64   1.658  -5.043  11.137
  444    HB3  PRO  64           HB1      PRO  64   2.630  -3.798  10.327
  445    HG2  PRO  64           HG2      PRO  64  -0.294  -3.930  10.747
  446    HG3  PRO  64           HG1      PRO  64   0.773  -2.522  10.636
  447    HD2  PRO  64           HD2      PRO  64  -0.854  -3.597   8.557
  448    HD3  PRO  64           HD1      PRO  64   0.358  -2.306   8.405
  449    H    ASP  65           HN       ASP  65   2.171  -7.163  10.465
  450    HA   ASP  65           HA       ASP  65   1.198  -9.160  11.029
  451    HB2  ASP  65           HB2      ASP  65  -1.289  -7.658  10.190
  452    HB3  ASP  65           HB1      ASP  65  -1.301  -9.234  10.980
  453    H    LEU  66           HN       LEU  66   2.235  -8.789   8.323
  454    HA   LEU  66           HA       LEU  66   0.416 -10.276   6.603
  455    HB2  LEU  66           HB2      LEU  66   3.242  -9.291   6.137
  456    HB3  LEU  66           HB1      LEU  66   2.201 -10.027   4.915
  457    HG   LEU  66           HG       LEU  66   1.765  -7.418   6.385
  458   HD11  LEU  66          HD11      LEU  66   3.185  -7.287   4.397
  459   HD12  LEU  66          HD12      LEU  66   1.620  -6.549   4.056
  460   HD13  LEU  66          HD13      LEU  66   1.983  -8.166   3.453
  461   HD21  LEU  66          HD21      LEU  66  -0.399  -7.341   5.103
  462   HD22  LEU  66          HD22      LEU  66  -0.366  -8.582   6.353
  463   HD23  LEU  66          HD23      LEU  66  -0.144  -9.027   4.662
  464    H    LEU  67           HN       LEU  67   0.821 -12.356   5.782
  465    HA   LEU  67           HA       LEU  67   2.329 -14.068   7.585
  466    HB2  LEU  67           HB2      LEU  67   0.378 -14.550   5.342
  467    HB3  LEU  67           HB1      LEU  67   1.317 -15.864   6.044
  468    HG   LEU  67           HG       LEU  67  -0.238 -13.981   7.806
  469   HD11  LEU  67          HD11      LEU  67  -1.695 -15.039   5.977
  470   HD12  LEU  67          HD12      LEU  67  -2.184 -15.345   7.644
  471   HD13  LEU  67          HD13      LEU  67  -1.328 -16.589   6.733
  472   HD21  LEU  67          HD21      LEU  67   0.394 -16.920   8.153
  473   HD22  LEU  67          HD22      LEU  67  -0.072 -15.756   9.393
  474   HD23  LEU  67          HD23      LEU  67   1.521 -15.655   8.644
  475    HA   PRO  68           HA       PRO  68   5.872 -13.790   4.855
  476    HB2  PRO  68           HB2      PRO  68   6.868 -15.985   6.566
  477    HB3  PRO  68           HB1      PRO  68   7.571 -14.388   6.259
  478    HG2  PRO  68           HG2      PRO  68   6.411 -15.068   8.599
  479    HG3  PRO  68           HG1      PRO  68   6.437 -13.414   7.970
  480    HD2  PRO  68           HD2      PRO  68   4.173 -15.349   8.073
  481    HD3  PRO  68           HD1      PRO  68   4.148 -13.574   8.124
  482    H    GLY  69           HN       GLY  69   6.480 -14.943   3.063
  483    HA2  GLY  69           HA2      GLY  69   6.689 -16.715   1.581
  484    HA3  GLY  69           HA1      GLY  69   6.127 -17.796   2.852
  485    H    ARG  70           HN       ARG  70   4.213 -15.011   2.158
  486    HA   ARG  70           HA       ARG  70   2.327 -16.664   0.591
  487    HB2  ARG  70           HB2      ARG  70   1.674 -14.715   2.811
  488    HB3  ARG  70           HB1      ARG  70   0.483 -15.495   1.770
  489    HG2  ARG  70           HG2      ARG  70   2.492 -17.103   3.341
  490    HG3  ARG  70           HG1      ARG  70   0.948 -16.610   4.040
  491    HD2  ARG  70           HD2      ARG  70   0.752 -17.772   1.340
  492    HD3  ARG  70           HD1      ARG  70   1.316 -18.887   2.576
  493    HE   ARG  70           HE       ARG  70  -1.342 -17.883   2.300
  494   HH11  ARG  70          HH21      ARG  70   1.088 -18.798   4.586
  495   HH12  ARG  70          HH22      ARG  70  -0.043 -19.212   5.830
  496   HH21  ARG  70          HH11      ARG  70  -2.828 -18.422   3.927
  497   HH22  ARG  70          HH12      ARG  70  -2.261 -19.002   5.456
  498    H    LYS  71           HN       LYS  71   1.060 -15.572  -0.948
  499    HA   LYS  71           HA       LYS  71   2.222 -13.008  -1.792
  500    HB2  LYS  71           HB2      LYS  71   2.128 -14.967  -3.397
  501    HB3  LYS  71           HB1      LYS  71   0.372 -14.794  -3.377
  502    HG2  LYS  71           HG2      LYS  71   0.581 -12.462  -4.134
  503    HG3  LYS  71           HG1      LYS  71   2.338 -12.613  -4.136
  504    HD2  LYS  71           HD2      LYS  71   2.013 -14.580  -5.749
  505    HD3  LYS  71           HD1      LYS  71   0.348 -14.021  -5.921
  506    HE2  LYS  71           HE2      LYS  71   1.068 -11.882  -6.754
  507    HE3  LYS  71           HE1      LYS  71   2.750 -12.231  -6.355
  508    HZ1  LYS  71           HZ1      LYS  71   1.396 -14.122  -8.107
  509    HZ2  LYS  71           HZ2      LYS  71   2.999 -13.560  -8.143
  510    HZ3  LYS  71           HZ3      LYS  71   1.745 -12.599  -8.767
  511    H    TYR  72           HN       TYR  72   1.073 -11.188  -1.720
  512    HA   TYR  72           HA       TYR  72  -1.807 -11.398  -1.058
  513    HB2  TYR  72           HB2      TYR  72   0.250  -9.386  -0.137
  514    HB3  TYR  72           HB1      TYR  72  -1.485  -9.187   0.093
  515    HD1  TYR  72           HD2      TYR  72   1.407 -11.392   0.890
  516    HD2  TYR  72           HD1      TYR  72  -2.646 -10.322   1.823
  517    HE1  TYR  72           HE2      TYR  72   1.510 -12.788   2.937
  518    HE2  TYR  72           HE1      TYR  72  -2.544 -11.715   3.871
  519    HH   TYR  72           HH       TYR  72  -1.058 -12.742   5.321
  520    H    ILE  73           HN       ILE  73  -3.201  -9.905  -1.992
  521    HA   ILE  73           HA       ILE  73  -2.115  -8.455  -4.327
  522    HB   ILE  73           HB       ILE  73  -4.977  -9.281  -3.758
  523   HG12  ILE  73          HG12      ILE  73  -2.981 -10.434  -5.729
  524   HG13  ILE  73          HG11      ILE  73  -3.372 -11.173  -4.176
  525   HG21  ILE  73          HG21      ILE  73  -5.421  -7.758  -5.369
  526   HG22  ILE  73          HG22      ILE  73  -4.563  -8.817  -6.488
  527   HG23  ILE  73          HG23      ILE  73  -3.706  -7.502  -5.685
  528   HD11  ILE  73          HD11      ILE  73  -5.807 -10.523  -5.571
  529   HD12  ILE  73          HD12      ILE  73  -5.229 -12.102  -5.041
  530   HD13  ILE  73          HD13      ILE  73  -4.762 -11.478  -6.622
  531    H    VAL  74           HN       VAL  74  -2.043  -6.308  -4.192
  532    HA   VAL  74           HA       VAL  74  -3.605  -5.019  -2.043
  533    HB   VAL  74           HB       VAL  74  -1.019  -4.053  -3.277
  534   HG11  VAL  74          HG11      VAL  74  -1.090  -2.748  -1.022
  535   HG12  VAL  74          HG12      VAL  74  -2.810  -3.136  -1.036
  536   HG13  VAL  74          HG13      VAL  74  -2.109  -2.189  -2.348
  537   HG21  VAL  74          HG21      VAL  74  -1.186  -5.088  -0.479
  538   HG22  VAL  74          HG22      VAL  74   0.165  -5.134  -1.611
  539   HG23  VAL  74          HG23      VAL  74  -1.165  -6.279  -1.778
  540    H    ASN  75           HN       ASN  75  -4.973  -3.450  -2.541
  541    HA   ASN  75           HA       ASN  75  -4.794  -2.141  -5.172
  542    HB2  ASN  75           HB2      ASN  75  -7.413  -3.093  -4.006
  543    HB3  ASN  75           HB1      ASN  75  -7.115  -2.455  -5.622
  544   HD21  ASN  75          HD21      ASN  75  -6.972  -5.325  -3.625
  545   HD22  ASN  75          HD22      ASN  75  -6.456  -6.381  -4.847
  546    H    VAL  76           HN       VAL  76  -4.774  -0.010  -4.892
  547    HA   VAL  76           HA       VAL  76  -5.796   1.083  -2.359
  548    HB   VAL  76           HB       VAL  76  -4.102   2.485  -4.430
  549   HG11  VAL  76          HG11      VAL  76  -5.268   3.953  -2.852
  550   HG12  VAL  76          HG12      VAL  76  -3.545   3.923  -2.478
  551   HG13  VAL  76          HG13      VAL  76  -4.677   2.995  -1.495
  552   HG21  VAL  76          HG21      VAL  76  -3.101   0.341  -3.433
  553   HG22  VAL  76          HG22      VAL  76  -3.125   1.180  -1.882
  554   HG23  VAL  76          HG23      VAL  76  -2.162   1.817  -3.215
  555    H    TYR  77           HN       TYR  77  -7.642   2.169  -2.310
  556    HA   TYR  77           HA       TYR  77  -8.724   3.228  -4.851
  557    HB2  TYR  77           HB2      TYR  77 -10.303   2.356  -2.419
  558    HB3  TYR  77           HB1      TYR  77 -10.944   2.821  -3.992
  559    HD1  TYR  77           HD2      TYR  77 -10.685   1.345  -5.950
  560    HD2  TYR  77           HD1      TYR  77  -9.274   0.190  -2.061
  561    HE1  TYR  77           HE2      TYR  77 -10.484  -1.004  -6.720
  562    HE2  TYR  77           HE1      TYR  77  -9.073  -2.159  -2.830
  563    HH   TYR  77           HH       TYR  77 -10.201  -3.145  -6.034
  564    H    GLN  78           HN       GLN  78  -9.363   5.350  -4.879
  565    HA   GLN  78           HA       GLN  78  -8.844   6.877  -2.410
  566    HB2  GLN  78           HB2      GLN  78  -8.354   8.725  -3.715
  567    HB3  GLN  78           HB1      GLN  78  -7.827   7.430  -4.789
  568    HG2  GLN  78           HG2      GLN  78 -10.251   7.486  -5.705
  569    HG3  GLN  78           HG1      GLN  78 -10.360   9.059  -4.910
  570   HE21  GLN  78          HE21      GLN  78  -7.243   9.178  -5.536
  571   HE22  GLN  78          HE22      GLN  78  -7.229   9.749  -7.134
  572    H    ILE  79           HN       ILE  79 -10.464   7.921  -1.375
  573    HA   ILE  79           HA       ILE  79 -13.170   7.469  -2.402
  574    HB   ILE  79           HB       ILE  79 -12.295   8.380   0.343
  575   HG12  ILE  79          HG12      ILE  79 -13.029   5.611  -0.652
  576   HG13  ILE  79          HG11      ILE  79 -11.385   6.153  -0.331
  577   HG21  ILE  79          HG21      ILE  79 -14.884   7.117  -0.607
  578   HG22  ILE  79          HG22      ILE  79 -14.667   8.851  -0.371
  579   HG23  ILE  79          HG23      ILE  79 -14.542   7.752   1.002
  580   HD11  ILE  79          HD11      ILE  79 -12.194   6.736   2.026
  581   HD12  ILE  79          HD12      ILE  79 -12.069   5.018   1.646
  582   HD13  ILE  79          HD13      ILE  79 -13.645   5.810   1.642
  583    H    SER  80           HN       SER  80 -14.253   9.039  -3.314
  584    HA   SER  80           HA       SER  80 -13.253  11.755  -3.268
  585    HB2  SER  80           HB2      SER  80 -14.942  12.171  -4.943
  586    HB3  SER  80           HB1      SER  80 -14.130  10.662  -5.334
  587    HG   SER  80           HG       SER  80 -16.620  10.991  -4.004
  588    H    GLU  81           HN       GLU  81 -14.915  13.542  -3.011
  589    HA   GLU  81           HA       GLU  81 -15.881  13.565  -0.380
  590    HB2  GLU  81           HB2      GLU  81 -16.638  15.309  -2.732
  591    HB3  GLU  81           HB1      GLU  81 -17.031  15.660  -1.048
  592    HG2  GLU  81           HG2      GLU  81 -14.725  15.868  -0.454
  593    HG3  GLU  81           HG1      GLU  81 -14.197  15.175  -1.986
  594    H    ASP  82           HN       ASP  82 -17.225  12.149  -3.173
  595    HA   ASP  82           HA       ASP  82 -19.961  12.258  -2.118
  596    HB2  ASP  82           HB2      ASP  82 -20.629  11.289  -4.245
  597    HB3  ASP  82           HB1      ASP  82 -19.581  12.676  -4.535
  598    H    GLY  83           HN       GLY  83 -17.264  10.366  -1.737
  599    HA2  GLY  83           HA2      GLY  83 -17.131   8.419  -0.433
  600    HA3  GLY  83           HA1      GLY  83 -18.857   8.178  -0.656
  601    H    GLU  84           HN       GLU  84 -17.208   8.889  -3.544
  602    HA   GLU  84           HA       GLU  84 -17.648   6.183  -4.514
  603    HB2  GLU  84           HB2      GLU  84 -16.798   8.763  -5.822
  604    HB3  GLU  84           HB1      GLU  84 -16.769   7.224  -6.684
  605    HG2  GLU  84           HG2      GLU  84 -19.203   8.391  -5.302
  606    HG3  GLU  84           HG1      GLU  84 -18.902   8.455  -7.038
  607    H    GLN  85           HN       GLN  85 -16.087   4.715  -5.050
  608    HA   GLN  85           HA       GLN  85 -13.329   5.417  -4.264
  609    HB2  GLN  85           HB2      GLN  85 -14.841   2.811  -4.304
  610    HB3  GLN  85           HB1      GLN  85 -13.079   2.857  -4.227
  611    HG2  GLN  85           HG2      GLN  85 -13.194   4.258  -2.206
  612    HG3  GLN  85           HG1      GLN  85 -14.954   4.235  -2.285
  613   HE21  GLN  85          HE21      GLN  85 -12.377   2.729  -0.772
  614   HE22  GLN  85          HE22      GLN  85 -13.118   1.248  -0.398
  615    H    SER  86           HN       SER  86 -11.639   5.103  -5.650
  616    HA   SER  86           HA       SER  86 -12.216   3.960  -8.304
  617    HB2  SER  86           HB2      SER  86 -12.321   6.522  -8.267
  618    HB3  SER  86           HB1      SER  86 -10.586   6.476  -7.978
  619    HG   SER  86           HG       SER  86 -10.288   5.510  -9.923
  620    H    LEU  87           HN       LEU  87 -10.721   2.517  -8.885
  621    HA   LEU  87           HA       LEU  87  -8.493   1.949  -7.215
  622    HB2  LEU  87           HB2      LEU  87  -9.645   0.227  -8.574
  623    HB3  LEU  87           HB1      LEU  87  -9.032   1.000 -10.037
  624    HG   LEU  87           HG       LEU  87  -6.696   0.715  -9.048
  625   HD11  LEU  87          HD11      LEU  87  -8.375  -0.524  -6.966
  626   HD12  LEU  87          HD12      LEU  87  -6.736   0.118  -6.855
  627   HD13  LEU  87          HD13      LEU  87  -7.005  -1.512  -7.470
  628   HD21  LEU  87          HD21      LEU  87  -8.501  -1.477 -10.002
  629   HD22  LEU  87          HD22      LEU  87  -6.873  -1.902  -9.474
  630   HD23  LEU  87          HD23      LEU  87  -7.101  -0.757 -10.796
  631    H    ILE  88           HN       ILE  88  -6.669   3.070  -7.110
  632    HA   ILE  88           HA       ILE  88  -5.770   4.538  -9.509
  633    HB   ILE  88           HB       ILE  88  -4.529   5.980  -7.979
  634   HG12  ILE  88          HG12      ILE  88  -5.733   4.287  -5.769
  635   HG13  ILE  88          HG11      ILE  88  -4.053   4.185  -6.295
  636   HG21  ILE  88          HG21      ILE  88  -6.813   6.358  -6.428
  637   HG22  ILE  88          HG22      ILE  88  -7.422   5.597  -7.897
  638   HG23  ILE  88          HG23      ILE  88  -6.495   7.094  -7.998
  639   HD11  ILE  88          HD11      ILE  88  -4.228   6.849  -5.909
  640   HD12  ILE  88          HD12      ILE  88  -3.757   5.732  -4.629
  641   HD13  ILE  88          HD13      ILE  88  -5.421   6.309  -4.728
  642    H    LEU  89           HN       LEU  89  -4.966   2.009  -7.285
  643    HA   LEU  89           HA       LEU  89  -2.619   1.362  -8.865
  644    HB2  LEU  89           HB2      LEU  89  -1.736   2.988  -7.218
  645    HB3  LEU  89           HB1      LEU  89  -2.308   1.944  -5.914
  646    HG   LEU  89           HG       LEU  89  -0.944   0.076  -7.036
  647   HD11  LEU  89          HD11      LEU  89   0.805   2.191  -8.169
  648   HD12  LEU  89          HD12      LEU  89  -0.674   1.848  -9.066
  649   HD13  LEU  89          HD13      LEU  89   0.489   0.559  -8.754
  650   HD21  LEU  89          HD21      LEU  89   0.447   0.519  -5.322
  651   HD22  LEU  89          HD22      LEU  89  -0.230   2.144  -5.211
  652   HD23  LEU  89          HD23      LEU  89   1.174   1.841  -6.235
  653    H    SER  90           HN       SER  90  -2.530  -0.752  -9.103
  654    HA   SER  90           HA       SER  90  -3.486  -2.505  -6.932
  655    HB2  SER  90           HB2      SER  90  -5.286  -2.486  -8.535
  656    HB3  SER  90           HB1      SER  90  -4.163  -2.693  -9.876
  657    HG   SER  90           HG       SER  90  -5.327  -4.554  -8.359
  658    H    THR  91           HN       THR  91  -1.861  -3.819  -6.336
  659    HA   THR  91           HA       THR  91  -0.184  -5.073  -8.358
  660    HB   THR  91           HB       THR  91   0.826  -2.782  -7.699
  661    HG1  THR  91           HG1      THR  91   2.938  -3.989  -7.383
  662   HG21  THR  91          HG21      THR  91   1.892  -2.596  -5.610
  663   HG22  THR  91          HG22      THR  91   1.802  -4.331  -5.308
  664   HG23  THR  91          HG23      THR  91   0.344  -3.343  -5.211
  665    H    SER  92           HN       SER  92   0.976  -6.872  -7.578
  666    HA   SER  92           HA       SER  92   0.051  -7.837  -4.937
  667    HB2  SER  92           HB2      SER  92   0.159 -10.053  -5.790
  668    HB3  SER  92           HB1      SER  92  -0.619  -9.104  -7.053
  669    HG   SER  92           HG       SER  92   1.500  -8.899  -8.002
  670    H    GLN  93           HN       GLN  93   1.557  -9.157  -3.718
  671    HA   GLN  93           HA       GLN  93   4.390  -8.879  -4.410
  672    HB2  GLN  93           HB2      GLN  93   3.136  -7.774  -1.891
  673    HB3  GLN  93           HB1      GLN  93   4.865  -8.067  -2.072
  674    HG2  GLN  93           HG2      GLN  93   4.759  -6.615  -4.167
  675    HG3  GLN  93           HG1      GLN  93   3.139  -6.151  -3.649
  676   HE21  GLN  93          HE21      GLN  93   4.897  -6.734  -0.850
  677   HE22  GLN  93          HE22      GLN  93   5.423  -5.154  -0.535
  678    H    THR  94           HN       THR  94   5.774 -10.223  -3.122
  679    HA   THR  94           HA       THR  94   4.341 -12.445  -1.799
  680    HB   THR  94           HB       THR  94   6.980 -12.981  -3.035
  681    HG1  THR  94           HG1      THR  94   6.232 -11.979  -4.773
  682   HG21  THR  94          HG21      THR  94   4.862 -14.438  -1.951
  683   HG22  THR  94          HG22      THR  94   6.225 -15.099  -2.855
  684   HG23  THR  94          HG23      THR  94   4.723 -14.701  -3.689
  685    H    THR  95           HN       THR  95   4.675 -12.040   0.319
  686    HA   THR  95           HA       THR  95   6.720 -10.668   1.537
  687    HB   THR  95           HB       THR  95   6.187 -11.951   3.579
  688    HG1  THR  95           HG1      THR  95   4.828 -13.566   1.696
  689   HG21  THR  95          HG21      THR  95   3.553 -11.696   3.233
  690   HG22  THR  95          HG22      THR  95   4.077 -10.865   1.769
  691   HG23  THR  95          HG23      THR  95   4.608 -10.288   3.348