*HEADER    SIGNALING PROTEIN                       07-FEB-00   1EF5              
*TITLE     SOLUTION STRUCTURE OF THE RAS-BINDING DOMAIN OF RGL                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RGL;                                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RAS-BINDING DOMAIN;                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: DH5ALPHA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PGEX2T                                    
*KEYWDS    RAS-BINDING DOMAIN, RGL, RAS, RBD, RA                                 
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    T.KIGAWA, M.ENDO, Y.ITO, M.SHIROUZU, A.KIKUCHI, S.YOKOYAMA            
*REVDAT   1   23-FEB-00 1EF5    0                                                
!
! distance constraints from 15N NOE experiments
!
assign (resid  647 and  name HT#  )(resid  647 and  name HA   ) 5.0 3.2 0.8
assign (resid  647 and  name HT#  )(resid  647 and  name HG#  ) 5.0 3.2 0.8
assign (resid  647 and  name HT#  )(resid  647 and  name HB#  ) 5.0 3.2 0.8
assign (resid  648 and  name HN   )(resid  647 and  name HT#  ) 5.0 3.2 0.8
assign (resid  648 and  name HN   )(resid  649 and  name HN   ) 3.0 1.2 0.6
assign (resid  648 and  name HN   )(resid  648 and  name HA   ) 4.0 2.2 0.6
assign (resid  648 and  name HN   )(resid  647 and  name HA   ) 3.0 1.2 0.6
assign (resid  648 and  name HN   )(resid  648 and  name HB#  ) 4.0 2.2 0.6
assign (resid  648 and  name HN   )(resid  647 and  name HG#  ) 5.0 3.2 0.8
assign (resid  648 and  name HN   )(resid  647 and  name HB#  ) 5.0 3.2 0.8
assign (resid  648 and  name HN   )(resid  649 and  name HG2# ) 5.5 3.7 0.8
assign (resid  649 and  name HN   )(resid  650 and  name HN   ) 5.0 3.2 0.8
assign (resid  649 and  name HN   )(resid  649 and  name HA   ) 4.0 2.2 0.6
assign (resid  649 and  name HN   )(resid  648 and  name HA   ) 2.5 0.7 0.4
assign (resid  649 and  name HN   )(resid  647 and  name HA   ) 5.0 3.2 0.8
assign (resid  649 and  name HN   )(resid  649 and  name HB   ) 4.0 2.2 0.6
assign (resid  649 and  name HN   )(resid  648 and  name HB#  ) 4.0 2.2 0.6
assign (resid  649 and  name HN   )(resid  647 and  name HG#  ) 5.0 3.2 0.8
assign (resid  649 and  name HN   )(resid  649 and  name HG2# ) 5.5 3.7 0.8
assign (resid  650 and  name HN   )(resid  651 and  name HN   ) 5.0 3.2 0.8
assign (resid  650 and  name HN   )(resid  649 and  name HA   ) 2.5 0.7 0.4
assign (resid  650 and  name HN   )(resid  650 and  name HA   ) 4.0 2.2 0.6
assign (resid  650 and  name HN   )(resid  649 and  name HB   ) 3.0 1.2 0.6
assign (resid  650 and  name HN   )(resid  650 and  name HB#  ) 5.0 3.2 0.8
assign (resid  650 and  name HN   )(resid  669 and  name HB#  ) 5.0 3.2 0.8
assign (resid  650 and  name HN   )(resid  649 and  name HG2# ) 4.5 2.7 0.6
assign (resid  651 and  name HN   )(resid  652 and  name HN   ) 5.0 3.2 0.8
assign (resid  651 and  name HN   )(resid  726 and  name HN   ) 5.0 3.2 0.8
assign (resid  651 and  name HN   )(resid  650 and  name HA   ) 2.5 0.7 0.4
assign (resid  651 and  name HN   )(resid  650 and  name HB#  ) 4.0 2.2 0.6
assign (resid  651 and  name HN   )(resid  651 and  name HB   ) 3.0 1.2 0.6
assign (resid  652 and  name HN   )(resid  667 and  name HN   ) 4.0 2.2 0.6
assign (resid  652 and  name HN   )(resid  652 and  name HA   ) 5.0 3.2 0.8
assign (resid  652 and  name HN   )(resid  651 and  name HA   ) 2.5 0.7 0.4
assign (resid  652 and  name HN   )(resid  652 and  name HB   ) 5.0 3.2 0.8
assign (resid  652 and  name HN   )(resid  668 and  name HB#  ) 5.0 3.2 0.8
assign (resid  652 and  name HN   )(resid  667 and  name HB   ) 5.0 3.2 0.8
assign (resid  652 and  name HN   )(resid  652 and  name HG1# ) 4.0 2.2 0.6
assign (resid  652 and  name HN   )(resid  652 and  name HG2# ) 5.5 3.7 0.8
assign (resid  652 and  name HN   )(resid  652 and  name HD1# ) 5.5 3.7 0.8
assign (resid  653 and  name HN   )(resid  728 and  name HN   ) 5.0 3.2 0.8
assign (resid  653 and  name HN   )(resid  728 and  name HE#  ) 5.0 3.2 2.3
assign (resid  653 and  name HN   )(resid  727 and  name HA   ) 3.0 1.2 0.6
assign (resid  653 and  name HN   )(resid  653 and  name HA   ) 5.0 3.2 0.8
assign (resid  653 and  name HN   )(resid  726 and  name HB1  ) 5.0 3.2 0.8
assign (resid  653 and  name HN   )(resid  726 and  name HB2  ) 5.0 3.2 0.8
assign (resid  653 and  name HN   )(resid  727 and  name HB2  ) 5.0 3.2 0.8
assign (resid  653 and  name HN   )(resid  653 and  name HB1  ) 4.0 2.2 0.6
assign (resid  653 and  name HN   )(resid  653 and  name HG#  ) 5.0 3.2 0.8
assign (resid  653 and  name HN   )(resid  652 and  name HG1# ) 5.0 3.2 0.8
assign (resid  653 and  name HN   )(resid  654 and  name HG1# ) 5.0 3.2 0.8
assign (resid  653 and  name HN   )(resid  652 and  name HG2# ) 5.5 3.7 0.8
assign (resid  653 and  name HN   )(resid  652 and  name HD1# ) 5.5 3.7 0.8
assign (resid  654 and  name HN   )(resid  665 and  name HN   ) 5.0 3.2 0.8
assign (resid  654 and  name HN   )(resid  654 and  name HA   ) 4.0 2.2 0.6
assign (resid  654 and  name HN   )(resid  653 and  name HA   ) 3.0 1.2 0.6
assign (resid  654 and  name HN   )(resid  665 and  name HE#  ) 5.0 3.2 0.8
assign (resid  654 and  name HN   )(resid  653 and  name HB1  ) 5.0 3.2 0.8
assign (resid  654 and  name HN   )(resid  654 and  name HB   ) 4.0 2.2 0.6
assign (resid  654 and  name HN   )(resid  653 and  name HB2  ) 5.0 3.2 0.8
assign (resid  654 and  name HN   )(resid  654 and  name HG2# ) 5.5 3.7 0.8
assign (resid  654 and  name HN   )(resid  654 and  name HD1# ) 5.5 3.7 0.8
assign (resid  655 and  name HN   )(resid  728 and  name HN   ) 5.0 3.2 0.8
assign (resid  655 and  name HN   )(resid  730 and  name HN   ) 5.0 3.2 0.8
assign (resid  655 and  name HN   )(resid  654 and  name HA   ) 3.0 1.2 0.6
assign (resid  655 and  name HN   )(resid  729 and  name HA   ) 4.0 2.2 0.6
assign (resid  655 and  name HN   )(resid  655 and  name HB#  ) 5.0 3.2 0.8
assign (resid  655 and  name HN   )(resid  728 and  name HB1  ) 5.0 3.2 0.8
assign (resid  655 and  name HN   )(resid  729 and  name HB   ) 5.0 3.2 0.8
assign (resid  655 and  name HN   )(resid  729 and  name HD1# ) 5.5 3.7 0.8
assign (resid  655 and  name HN   )(resid  654 and  name HD1# ) 5.5 3.7 0.8
assign (resid  655 and  name HN   )(resid  730 and  name HD*  ) 5.5 3.7 0.8
assign (resid  656 and  name HN   )(resid  655 and  name HA   ) 3.0 1.2 0.6
assign (resid  656 and  name HN   )(resid  656 and  name HA   ) 5.0 3.2 0.8
assign (resid  656 and  name HN   )(resid  655 and  name HB#  ) 4.0 2.2 0.6
assign (resid  656 and  name HN   )(resid  656 and  name HB   ) 4.0 2.2 0.6
assign (resid  656 and  name HN   )(resid  656 and  name HG2# ) 5.5 3.7 0.8
assign (resid  656 and  name HN   )(resid  656 and  name HG1# ) 5.5 3.7 0.8
assign (resid  657 and  name HN   )(resid  731 and  name HA   ) 5.0 3.2 0.8
assign (resid  657 and  name HN   )(resid  656 and  name HA   ) 2.5 0.7 0.4
assign (resid  657 and  name HN   )(resid  657 and  name HA   ) 3.0 1.2 0.6
assign (resid  657 and  name HN   )(resid  657 and  name HB#  ) 4.0 2.2 0.6
assign (resid  657 and  name HN   )(resid  656 and  name HB   ) 4.0 2.2 0.6
assign (resid  657 and  name HN   )(resid  656 and  name HG2# ) 5.5 3.7 0.8
assign (resid  657 and  name HN   )(resid  656 and  name HG1# ) 5.5 3.7 0.8
assign (resid  658 and  name HN   )(resid  658 and  name HA   ) 2.5 0.7 0.4
assign (resid  658 and  name HN   )(resid  658 and  name HB#  ) 3.0 1.2 0.6
assign (resid  658 and  name HN   )(resid  657 and  name HA   ) 2.5 0.7 0.4
assign (resid  658 and  name HN   )(resid  657 and  name HB#  ) 4.0 2.2 0.6
assign (resid  661 and  name HN   )(resid  661 and  name HA#  ) 5.0 3.2 0.8
assign (resid  662 and  name HN   )(resid  662 and  name HB#  ) 5.0 3.2 0.8
assign (resid  662 and  name HN   )(resid  661 and  name HA#  ) 5.0 3.2 0.8
assign (resid  663 and  name HN   )(resid  663 and  name HB1  ) 5.0 3.2 0.8
assign (resid  663 and  name HN   )(resid  663 and  name HB2  ) 3.0 1.2 0.6
assign (resid  663 and  name HN   )(resid  663 and  name HG#  ) 5.0 3.2 0.8
assign (resid  663 and  name HN   )(resid  662 and  name HA   ) 4.0 2.2 0.6
assign (resid  664 and  name HN   )(resid  664 and  name HB#  ) 4.0 2.2 0.6
assign (resid  664 and  name HN   )(resid  663 and  name HB1  ) 5.0 3.2 0.8
assign (resid  664 and  name HN   )(resid  663 and  name HB2  ) 3.0 1.2 0.6
assign (resid  664 and  name HN   )(resid  655 and  name HB#  ) 5.0 3.2 0.8
assign (resid  665 and  name HN   )(resid  665 and  name HA   ) 4.0 2.2 0.6
assign (resid  665 and  name HN   )(resid  665 and  name HB1  ) 5.0 3.2 0.8
assign (resid  665 and  name HN   )(resid  665 and  name HB2  ) 5.0 3.2 0.8
assign (resid  665 and  name HN   )(resid  665 and  name HG#  ) 5.0 3.2 0.8
assign (resid  665 and  name HN   )(resid  665 and  name HD#  ) 5.0 3.2 0.8
assign (resid  665 and  name HN   )(resid  665 and  name HE#  ) 4.0 2.2 0.6
assign (resid  665 and  name HN   )(resid  655 and  name HA   ) 5.0 3.2 0.8
assign (resid  666 and  name HN   )(resid  666 and  name HA   ) 5.0 3.2 0.8
assign (resid  666 and  name HN   )(resid  666 and  name HB#  ) 3.0 1.2 0.6
assign (resid  666 and  name HN   )(resid  665 and  name HA   ) 4.0 2.2 0.6
assign (resid  667 and  name HN   )(resid  666 and  name HA   ) 3.0 1.2 0.6
assign (resid  667 and  name HN   )(resid  653 and  name HA   ) 5.0 3.2 0.8
assign (resid  667 and  name HN   )(resid  651 and  name HA   ) 5.0 3.2 0.8
assign (resid  667 and  name HN   )(resid  667 and  name HB   ) 5.0 3.2 0.8
assign (resid  667 and  name HN   )(resid  667 and  name HG1# ) 5.0 3.2 0.8
assign (resid  667 and  name HN   )(resid  667 and  name HG2# ) 5.5 3.7 0.8
assign (resid  668 and  name HN   )(resid  669 and  name HN   ) 5.0 3.2 0.8
assign (resid  668 and  name HN   )(resid  668 and  name HA   ) 3.0 1.2 0.6
assign (resid  668 and  name HN   )(resid  668 and  name HB#  ) 3.0 1.2 0.6
assign (resid  668 and  name HN   )(resid  668 and  name HG#  ) 5.0 3.2 0.8
assign (resid  668 and  name HN   )(resid  667 and  name HA   ) 2.5 0.7 0.4
assign (resid  668 and  name HN   )(resid  651 and  name HB   ) 4.0 2.2 0.6
assign (resid  669 and  name HN   )(resid  670 and  name HN   ) 5.0 3.2 0.8
assign (resid  669 and  name HN   )(resid  668 and  name HA   ) 5.0 3.2 0.8
assign (resid  669 and  name HN   )(resid  651 and  name HA   ) 4.0 2.2 0.6
assign (resid  669 and  name HN   )(resid  669 and  name HB#  ) 4.0 2.2 0.6
assign (resid  669 and  name HN   )(resid  668 and  name HB#  ) 4.0 2.2 0.6
assign (resid  669 and  name HN   )(resid  669 and  name HD## ) 5.5 3.7 0.8
assign (resid  670 and  name HN   )(resid  670 and  name HA   ) 5.0 3.2 0.8
assign (resid  670 and  name HN   )(resid  669 and  name HA   ) 2.5 0.7 0.4
assign (resid  670 and  name HN   )(resid  670 and  name HB   ) 5.0 3.2 0.8
assign (resid  670 and  name HN   )(resid  669 and  name HB#  ) 5.0 3.2 0.8
assign (resid  670 and  name HN   )(resid  670 and  name HG2# ) 4.5 2.7 0.6
assign (resid  671 and  name HN   )(resid  672 and  name HN   ) 5.0 3.2 0.8
assign (resid  671 and  name HN   )(resid  670 and  name HA   ) 4.0 2.2 0.6
assign (resid  671 and  name HN   )(resid  670 and  name HB   ) 4.0 2.2 0.6
assign (resid  671 and  name HN   )(resid  671 and  name HA   ) 5.0 3.2 0.8
assign (resid  671 and  name HN   )(resid  671 and  name HB#  ) 5.0 3.2 0.8
assign (resid  671 and  name HN   )(resid  648 and  name HB#  ) 5.0 3.2 0.8
assign (resid  671 and  name HN   )(resid  670 and  name HG2# ) 5.5 3.7 0.8
assign (resid  672 and  name HN   )(resid  673 and  name HN   ) 3.0 1.2 0.6
assign (resid  672 and  name HN   )(resid  718 and  name HD#  ) 5.0 3.2 2.3
assign (resid  672 and  name HN   )(resid  672 and  name HA   ) 4.0 2.2 0.6
assign (resid  672 and  name HN   )(resid  671 and  name HA   ) 5.0 3.2 0.8
assign (resid  672 and  name HN   )(resid  673 and  name HB#  ) 5.0 3.2 0.8
assign (resid  672 and  name HN   )(resid  671 and  name HB#  ) 5.0 3.2 0.8
assign (resid  672 and  name HN   )(resid  672 and  name HG#  ) 4.0 2.2 0.6
assign (resid  672 and  name HN   )(resid  672 and  name HB#  ) 3.0 1.2 0.6
assign (resid  673 and  name HN   )(resid  674 and  name HN   ) 5.0 3.2 0.8
assign (resid  673 and  name HN   )(resid  673 and  name HA   ) 4.0 2.2 0.6
assign (resid  673 and  name HN   )(resid  672 and  name HA   ) 5.0 3.2 0.8
assign (resid  673 and  name HN   )(resid  673 and  name HB#  ) 3.0 1.2 0.6
assign (resid  673 and  name HN   )(resid  672 and  name HB#  ) 5.0 3.2 0.8
assign (resid  674 and  name HN   )(resid  675 and  name HN   ) 5.0 3.2 0.8
assign (resid  674 and  name HN   )(resid  677 and  name HN   ) 5.0 3.2 0.8
assign (resid  674 and  name HN   )(resid  674 and  name HA   ) 5.0 3.2 0.8
assign (resid  674 and  name HN   )(resid  673 and  name HA   ) 2.5 0.7 0.4
assign (resid  674 and  name HN   )(resid  675 and  name HA   ) 5.0 3.2 0.8
assign (resid  674 and  name HN   )(resid  673 and  name HB#  ) 5.0 3.2 0.8
assign (resid  674 and  name HN   )(resid  674 and  name HB#  ) 3.0 1.2 0.6
assign (resid  674 and  name HN   )(resid  678 and  name HG2# ) 5.5 3.7 0.8
assign (resid  675 and  name HN   )(resid  716 and  name HN   ) 5.0 3.2 0.8
assign (resid  675 and  name HN   )(resid  674 and  name HA   ) 3.0 1.2 0.6
assign (resid  675 and  name HN   )(resid  715 and  name HA   ) 4.0 2.2 0.6
assign (resid  675 and  name HN   )(resid  675 and  name HB   ) 3.0 1.2 0.6
assign (resid  675 and  name HN   )(resid  675 and  name HA   ) 3.0 1.2 0.6
assign (resid  675 and  name HN   )(resid  674 and  name HB#  ) 4.0 2.2 0.6
assign (resid  675 and  name HN   )(resid  674 and  name HG#  ) 4.0 2.2 0.6
assign (resid  675 and  name HN   )(resid  674 and  name HD#  ) 4.0 2.2 0.6
assign (resid  675 and  name HN   )(resid  675 and  name HG2# ) 5.5 3.7 0.8
assign (resid  677 and  name HN   )(resid  678 and  name HN   ) 3.0 1.2 0.6
assign (resid  677 and  name HN   )(resid  675 and  name HB   ) 5.0 3.2 0.8
assign (resid  677 and  name HN   )(resid  677 and  name HA   ) 3.0 1.2 0.6
assign (resid  677 and  name HN   )(resid  675 and  name HA   ) 4.0 2.2 0.6
assign (resid  677 and  name HN   )(resid  676 and  name HD#  ) 5.0 3.2 0.8
assign (resid  677 and  name HN   )(resid  678 and  name HB   ) 4.0 2.2 0.6
assign (resid  677 and  name HN   )(resid  676 and  name HG#  ) 4.0 2.2 0.6
assign (resid  677 and  name HN   )(resid  677 and  name HB#  ) 3.5 1.7 0.6
assign (resid  677 and  name HN   )(resid  678 and  name HG2# ) 5.5 3.7 0.8
assign (resid  677 and  name HN   )(resid  678 and  name HG1# ) 5.5 3.7 0.8
assign (resid  678 and  name HN   )(resid  679 and  name HN   ) 4.0 2.2 0.6
assign (resid  678 and  name HN   )(resid  680 and  name HN   ) 5.0 3.2 0.8
assign (resid  678 and  name HN   )(resid  677 and  name HA   ) 4.0 2.2 0.6
assign (resid  678 and  name HN   )(resid  675 and  name HA   ) 5.0 3.2 0.8
assign (resid  678 and  name HN   )(resid  678 and  name HA   ) 3.0 1.2 0.6
assign (resid  678 and  name HN   )(resid  678 and  name HB   ) 3.0 1.2 0.6
assign (resid  678 and  name HN   )(resid  679 and  name HB   ) 5.0 3.2 0.8
assign (resid  678 and  name HN   )(resid  677 and  name HB#  ) 4.5 2.7 0.6
assign (resid  678 and  name HN   )(resid  678 and  name HG2# ) 4.5 2.7 0.6
assign (resid  678 and  name HN   )(resid  678 and  name HG1# ) 5.5 3.7 0.8
assign (resid  679 and  name HN   )(resid  680 and  name HN   ) 4.0 2.2 0.6
assign (resid  679 and  name HN   )(resid  677 and  name HN   ) 5.0 3.2 0.8
assign (resid  679 and  name HN   )(resid  677 and  name HA   ) 4.0 2.2 0.6
assign (resid  679 and  name HN   )(resid  675 and  name HA   ) 5.0 3.2 0.8
assign (resid  679 and  name HN   )(resid  679 and  name HA   ) 4.0 2.2 0.6
assign (resid  679 and  name HN   )(resid  678 and  name HB   ) 4.0 2.2 0.6
assign (resid  679 and  name HN   )(resid  679 and  name HB   ) 3.0 1.2 0.6
assign (resid  679 and  name HN   )(resid  679 and  name HG1# ) 5.0 3.2 0.8
assign (resid  679 and  name HN   )(resid  679 and  name HG2# ) 5.5 3.7 0.8
assign (resid  679 and  name HN   )(resid  678 and  name HG2# ) 5.5 3.7 0.8
assign (resid  679 and  name HN   )(resid  679 and  name HD1# ) 5.5 3.7 0.8
assign (resid  679 and  name HN   )(resid  678 and  name HG1# ) 5.5 3.7 0.8
assign (resid  680 and  name HN   )(resid  682 and  name HN   ) 5.0 3.2 0.8
assign (resid  680 and  name HN   )(resid  677 and  name HA   ) 4.0 2.2 0.6
assign (resid  680 and  name HN   )(resid  680 and  name HA   ) 3.0 1.2 0.6
assign (resid  680 and  name HN   )(resid  679 and  name HA   ) 5.0 3.2 0.8
assign (resid  680 and  name HN   )(resid  680 and  name HB1  ) 5.0 3.2 0.8
assign (resid  680 and  name HN   )(resid  680 and  name HG#  ) 5.0 3.2 0.8
assign (resid  680 and  name HN   )(resid  680 and  name HB2  ) 2.5 0.7 0.4
assign (resid  680 and  name HN   )(resid  679 and  name HB   ) 4.0 2.2 0.6
assign (resid  680 and  name HN   )(resid  681 and  name HG#  ) 5.0 3.2 0.8
assign (resid  680 and  name HN   )(resid  682 and  name HB#  ) 5.5 3.7 0.8
assign (resid  680 and  name HN   )(resid  679 and  name HG2# ) 5.5 3.7 0.8
assign (resid  680 and  name HN   )(resid  679 and  name HD1# ) 5.5 3.7 0.8
assign (resid  681 and  name HN   )(resid  677 and  name HA   ) 5.0 3.2 0.8
assign (resid  681 and  name HN   )(resid  681 and  name HA   ) 3.0 1.2 0.6
assign (resid  681 and  name HN   )(resid  680 and  name HA   ) 5.0 3.2 0.8
assign (resid  681 and  name HN   )(resid  678 and  name HA   ) 4.0 2.2 0.6
assign (resid  681 and  name HN   )(resid  680 and  name HG#  ) 5.0 3.2 0.8
assign (resid  681 and  name HN   )(resid  681 and  name HB#  ) 3.0 1.2 0.6
assign (resid  681 and  name HN   )(resid  681 and  name HG#  ) 4.0 2.2 0.6
assign (resid  681 and  name HN   )(resid  682 and  name HB#  ) 5.5 3.7 0.8
assign (resid  682 and  name HN   )(resid  681 and  name HN   ) 4.0 2.2 0.6
assign (resid  682 and  name HN   )(resid  682 and  name HA   ) 4.0 2.2 0.6
assign (resid  682 and  name HN   )(resid  678 and  name HA   ) 5.0 3.2 0.8
assign (resid  682 and  name HN   )(resid  681 and  name HB#  ) 4.0 2.2 0.6
assign (resid  682 and  name HN   )(resid  681 and  name HG#  ) 5.0 3.2 0.8
assign (resid  682 and  name HN   )(resid  682 and  name HB#  ) 4.5 2.7 0.6
assign (resid  682 and  name HN   )(resid  678 and  name HG2# ) 5.5 3.7 0.8
assign (resid  682 and  name HN   )(resid  678 and  name HG1# ) 5.5 3.7 0.8
assign (resid  683 and  name HN   )(resid  684 and  name HN   ) 4.0 2.2 0.6
assign (resid  683 and  name HN   )(resid  682 and  name HA   ) 5.0 3.2 0.8
assign (resid  683 and  name HN   )(resid  683 and  name HA   ) 4.0 2.2 0.6
assign (resid  683 and  name HN   )(resid  683 and  name HG#  ) 4.0 2.2 0.6
assign (resid  683 and  name HN   )(resid  682 and  name HB#  ) 5.5 3.7 0.8
assign (resid  684 and  name HN   )(resid  684 and  name HA   ) 3.0 1.2 0.6
assign (resid  684 and  name HN   )(resid  684 and  name HB#  ) 2.5 0.7 0.4
assign (resid  684 and  name HN   )(resid  683 and  name HA   ) 5.0 3.2 0.8
assign (resid  684 and  name HN   )(resid  683 and  name HG#  ) 5.0 3.2 0.8
assign (resid  684 and  name HN   )(resid  685 and  name HB2  ) 5.0 3.2 0.8
assign (resid  685 and  name HN   )(resid  685 and  name HA   ) 4.0 2.2 0.6
assign (resid  685 and  name HN   )(resid  680 and  name HA   ) 4.0 2.2 0.6
assign (resid  685 and  name HN   )(resid  684 and  name HA   ) 3.0 1.2 0.6
assign (resid  685 and  name HN   )(resid  685 and  name HB#  ) 5.0 3.2 0.8
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assign (resid  723 and  name HN   )(resid  723 and  name HB2  ) 4.0 2.2 0.6
assign (resid  723 and  name HN   )(resid  724 and  name HG*  ) 5.5 3.7 0.8
assign (resid  724 and  name HN   )(resid  723 and  name HN   ) 3.0 1.2 0.6
assign (resid  724 and  name HN   )(resid  725 and  name HN   ) 5.0 3.2 0.8
assign (resid  724 and  name HN   )(resid  724 and  name HA   ) 3.0 1.2 0.6
assign (resid  724 and  name HN   )(resid  724 and  name HB   ) 5.0 3.2 0.8
assign (resid  724 and  name HN   )(resid  723 and  name HB2  ) 5.0 3.2 0.8
assign (resid  724 and  name HN   )(resid  724 and  name HG#  ) 4.5 2.7 0.6
assign (resid  725 and  name HN   )(resid  726 and  name HN   ) 5.0 3.2 0.8
assign (resid  725 and  name HN   )(resid  725 and  name HD2# ) 5.0 3.2 0.8
assign (resid  725 and  name HN   )(resid  724 and  name HA   ) 2.5 0.7 0.4
assign (resid  725 and  name HN   )(resid  725 and  name HA   ) 4.0 2.2 0.6
assign (resid  725 and  name HN   )(resid  725 and  name HB1  ) 3.0 1.2 0.6
assign (resid  725 and  name HN   )(resid  725 and  name HB2  ) 3.0 1.2 0.6
assign (resid  725 and  name HN   )(resid  724 and  name HB   ) 2.5 0.7 0.4
assign (resid  725 and  name HN   )(resid  724 and  name HG## ) 3.5 1.7 0.6
assign (resid  725 and  name HN   )(resid  702 and  name HD1# ) 5.5 3.7 0.8
assign (resid  726 and  name HN   )(resid  727 and  name HN   ) 5.0 3.2 0.8
assign (resid  726 and  name HN   )(resid  726 and  name HD#  ) 5.0 3.2 2.3
assign (resid  726 and  name HN   )(resid  652 and  name HA   ) 5.0 3.2 0.8
assign (resid  726 and  name HN   )(resid  726 and  name HA   ) 4.0 2.2 0.6
assign (resid  726 and  name HN   )(resid  726 and  name HB1  ) 5.0 3.2 0.8
assign (resid  726 and  name HN   )(resid  726 and  name HB2  ) 4.0 2.2 0.6
assign (resid  726 and  name HN   )(resid  725 and  name HB1  ) 5.0 3.2 0.8
assign (resid  726 and  name HN   )(resid  725 and  name HB2  ) 5.0 3.2 0.8
assign (resid  727 and  name HN   )(resid  728 and  name HN   ) 5.0 3.2 0.8
assign (resid  727 and  name HN   )(resid  726 and  name HD#  ) 4.0 2.2 2.1
assign (resid  727 and  name HN   )(resid  728 and  name HD#  ) 5.0 3.2 2.3
assign (resid  727 and  name HN   )(resid  728 and  name HE#  ) 5.0 3.2 2.3
assign (resid  727 and  name HN   )(resid  727 and  name HA   ) 4.0 2.2 0.6
assign (resid  727 and  name HN   )(resid  700 and  name HA   ) 5.0 3.2 0.8
assign (resid  727 and  name HN   )(resid  726 and  name HB1  ) 5.0 3.2 0.8
assign (resid  727 and  name HN   )(resid  726 and  name HB2  ) 5.0 3.2 0.8
assign (resid  727 and  name HN   )(resid  727 and  name HB2  ) 4.0 2.2 0.6
assign (resid  727 and  name HN   )(resid  727 and  name HB1  ) 4.0 2.2 0.6
assign (resid  727 and  name HN   )(resid  701 and  name HB   ) 5.0 3.2 0.8
assign (resid  727 and  name HN   )(resid  701 and  name HG*  ) 5.5 3.7 0.8
assign (resid  728 and  name HN   )(resid  728 and  name HD#  ) 4.0 2.2 2.1
assign (resid  728 and  name HN   )(resid  728 and  name HE#  ) 5.0 3.2 2.3
assign (resid  728 and  name HN   )(resid  728 and  name HA   ) 5.0 3.2 0.8
assign (resid  728 and  name HN   )(resid  727 and  name HA   ) 3.0 1.2 0.6
assign (resid  728 and  name HN   )(resid  728 and  name HB2  ) 5.0 3.2 0.8
assign (resid  728 and  name HN   )(resid  728 and  name HB1  ) 5.0 3.2 0.8
assign (resid  728 and  name HN   )(resid  727 and  name HB2  ) 5.0 3.2 0.8
assign (resid  728 and  name HN   )(resid  727 and  name HB1  ) 5.0 3.2 0.8
assign (resid  728 and  name HN   )(resid  654 and  name HG2# ) 5.5 3.7 0.8
assign (resid  728 and  name HN   )(resid  654 and  name HD1# ) 5.5 3.7 0.8
assign (resid  729 and  name HN   )(resid  728 and  name HD#  ) 5.0 3.2 2.3
assign (resid  729 and  name HN   )(resid  728 and  name HA   ) 3.0 1.2 0.6
assign (resid  729 and  name HN   )(resid  729 and  name HA   ) 5.0 3.2 0.8
assign (resid  729 and  name HN   )(resid  700 and  name HA   ) 5.0 3.2 0.8
assign (resid  729 and  name HN   )(resid  728 and  name HB2  ) 5.0 3.2 0.8
assign (resid  729 and  name HN   )(resid  728 and  name HB1  ) 5.0 3.2 0.8
assign (resid  729 and  name HN   )(resid  699 and  name HB   ) 5.0 3.2 0.8
assign (resid  729 and  name HN   )(resid  729 and  name HB   ) 3.0 1.2 0.6
assign (resid  729 and  name HN   )(resid  729 and  name HG1# ) 5.0 3.2 0.8
assign (resid  729 and  name HN   )(resid  729 and  name HD1# ) 5.5 3.7 0.8
assign (resid  730 and  name HN   )(resid  730 and  name HA   ) 5.0 3.2 0.8
assign (resid  730 and  name HN   )(resid  730 and  name HB#  ) 5.0 3.2 0.8
assign (resid  730 and  name HN   )(resid  730 and  name HG   ) 5.0 3.2 0.8
assign (resid  730 and  name HN   )(resid  730 and  name HD*  ) 5.5 3.7 0.8
assign (resid  730 and  name HN   )(resid  729 and  name HA   ) 2.5 0.7 0.4
assign (resid  730 and  name HN   )(resid  656 and  name HA   ) 4.0 2.2 0.6
assign (resid  730 and  name HN   )(resid  731 and  name HN   ) 5.0 3.2 0.8
assign (resid  731 and  name HN   )(resid  696 and  name HD#  ) 5.0 3.2 2.3
assign (resid  731 and  name HN   )(resid  731 and  name HA   ) 4.0 2.2 0.6
assign (resid  731 and  name HN   )(resid  731 and  name HB#  ) 5.0 3.2 0.8
assign (resid  731 and  name HN   )(resid  730 and  name HA   ) 2.5 0.7 0.4
assign (resid  732 and  name HN   )(resid  696 and  name HD#  ) 5.0 3.2 2.3
assign (resid  732 and  name HN   )(resid  696 and  name HE#  ) 5.0 3.2 2.3
assign (resid  732 and  name HN   )(resid  731 and  name HA   ) 2.5 0.7 0.4
assign (resid  732 and  name HN   )(resid  732 and  name HA   ) 4.0 2.2 0.6
assign (resid  732 and  name HN   )(resid  732 and  name HB#  ) 3.0 1.2 0.6
assign (resid  732 and  name HN   )(resid  732 and  name HG#  ) 5.0 3.2 0.8
assign (resid  733 and  name HN   )(resid  734 and  name HN   ) 5.0 3.2 0.8
assign (resid  733 and  name HN   )(resid  733 and  name HA   ) 3.0 1.2 0.6
assign (resid  733 and  name HN   )(resid  733 and  name HB#  ) 4.0 2.2 0.6
assign (resid  733 and  name HN   )(resid  696 and  name HA   ) 3.0 1.2 0.6
assign (resid  733 and  name HN   )(resid  732 and  name HA   ) 2.5 0.7 0.4
assign (resid  734 and  name HN   )(resid  734 and  name HA   ) 2.5 0.7 0.4
assign (resid  734 and  name HN   )(resid  734 and  name HB#  ) 2.5 0.7 0.4
assign (resid  734 and  name HN   )(resid  733 and  name HA   ) 2.5 0.7 0.4
assign (resid  734 and  name HN   )(resid  733 and  name HB#  ) 4.0 2.2 0.6
!
! distance constraints from 13C NOE experiments
!
assign (resid  725 and  name HD2# )(resid  725 and  name HA   ) 5.0 3.2 0.8
assign (resid  725 and  name HD2# )(resid  725 and  name HB1  ) 5.0 3.2 0.8
assign (resid  725 and  name HD2# )(resid  725 and  name HB2  ) 5.0 3.2 0.8
assign (resid  725 and  name HD2# )(resid  724 and  name HB   ) 5.0 3.2 0.8
assign (resid  721 and  name HD2# )(resid  721 and  name HA   ) 5.0 3.2 0.8
assign (resid  721 and  name HD2# )(resid  720 and  name HA   ) 5.0 3.2 0.8
assign (resid  721 and  name HD2# )(resid  721 and  name HB#  ) 5.0 3.2 0.8
assign (resid  647 and  name HA   )(resid  648 and  name HB#  ) 5.0 3.2 0.8
assign (resid  647 and  name HA   )(resid  647 and  name HG#  ) 2.5 0.7 0.3
assign (resid  647 and  name HA   )(resid  647 and  name HB#  ) 3.0 1.2 0.4
assign (resid  648 and  name HA   )(resid  717 and  name HZ   ) 5.0 3.2 0.8
assign (resid  648 and  name HA   )(resid  717 and  name HE#  ) 5.0 3.2 2.3
assign (resid  648 and  name HA   )(resid  648 and  name HB#  ) 2.5 0.7 0.3
assign (resid  648 and  name HA   )(resid  647 and  name HB#  ) 5.0 3.2 0.8
assign (resid  648 and  name HA   )(resid  649 and  name HG2# ) 5.5 3.7 0.8
assign (resid  648 and  name HB#  )(resid  649 and  name HA   ) 5.0 3.2 0.8
assign (resid  648 and  name HB#  )(resid  647 and  name HG#  ) 5.0 3.2 0.8
assign (resid  648 and  name HB#  )(resid  647 and  name HB#  ) 5.0 3.2 0.8
assign (resid  648 and  name HB#  )(resid  649 and  name HG2# ) 5.5 3.7 0.8
assign (resid  649 and  name HA   )(resid  649 and  name HB   ) 4.0 2.2 0.6
assign (resid  649 and  name HA   )(resid  648 and  name HA   ) 5.0 3.2 0.8
assign (resid  649 and  name HA   )(resid  650 and  name HB2  ) 5.0 3.2 0.8
assign (resid  649 and  name HA   )(resid  649 and  name HG2# ) 5.5 3.7 0.8
assign (resid  649 and  name HB   )(resid  649 and  name HG2# ) 4.5 2.7 0.6
assign (resid  650 and  name HA   )(resid  649 and  name HA   ) 5.0 3.2 0.8
assign (resid  650 and  name HA   )(resid  725 and  name HA   ) 5.0 3.2 0.8
assign (resid  650 and  name HA   )(resid  649 and  name HB   ) 5.0 3.2 0.8
assign (resid  650 and  name HA   )(resid  650 and  name HB2  ) 4.0 2.2 0.6
assign (resid  650 and  name HA   )(resid  650 and  name HB1  ) 4.0 2.2 0.6
assign (resid  650 and  name HA   )(resid  651 and  name HB   ) 5.0 3.2 0.8
assign (resid  650 and  name HA   )(resid  649 and  name HG2# ) 5.5 3.7 0.8
assign (resid  650 and  name HA   )(resid  651 and  name HG2# ) 5.5 3.7 0.8
assign (resid  651 and  name HA   )(resid  668 and  name HA   ) 4.0 2.2 0.6
assign (resid  651 and  name HA   )(resid  652 and  name HA   ) 5.0 3.2 0.8
assign (resid  651 and  name HA   )(resid  650 and  name HA   ) 5.0 3.2 0.8
assign (resid  651 and  name HA   )(resid  668 and  name HG#  ) 5.0 3.2 0.8
assign (resid  651 and  name HA   )(resid  651 and  name HB   ) 5.0 3.2 0.8
assign (resid  651 and  name HA   )(resid  651 and  name HG1# ) 5.0 3.2 0.8
assign (resid  651 and  name HA   )(resid  651 and  name HG2# ) 5.5 3.7 0.8
assign (resid  651 and  name HB   )(resid  668 and  name HA   ) 5.0 3.2 0.8
assign (resid  651 and  name HB   )(resid  651 and  name HG1# ) 4.0 2.2 0.6
assign (resid  651 and  name HB   )(resid  651 and  name HG2# ) 4.5 2.7 0.6
assign (resid  652 and  name HA   )(resid  728 and  name HD#  ) 5.0 3.2 2.3
assign (resid  652 and  name HA   )(resid  728 and  name HE#  ) 5.0 3.2 2.3
assign (resid  652 and  name HA   )(resid  726 and  name HB1  ) 5.0 3.2 0.8
assign (resid  652 and  name HA   )(resid  726 and  name HB2  ) 5.0 3.2 0.8
assign (resid  652 and  name HA   )(resid  652 and  name HB   ) 5.0 3.2 0.8
assign (resid  652 and  name HA   )(resid  652 and  name HD1# ) 5.5 3.7 0.8
assign (resid  652 and  name HA   )(resid  652 and  name HG2# ) 5.5 3.7 0.8
assign (resid  652 and  name HB   )(resid  728 and  name HD#  ) 5.0 3.2 2.3
assign (resid  652 and  name HG2# )(resid  728 and  name HD#  ) 5.5 3.7 2.3
assign (resid  652 and  name HG2# )(resid  728 and  name HE#  ) 5.5 3.7 2.3
assign (resid  652 and  name HG2# )(resid  726 and  name HD#  ) 5.5 3.7 2.3
assign (resid  652 and  name HG2# )(resid  726 and  name HB1  ) 5.5 3.7 0.8
assign (resid  652 and  name HG2# )(resid  726 and  name HB2  ) 5.5 3.7 0.8
assign (resid  652 and  name HG2# )(resid  669 and  name HD*  ) 5.5 3.7 0.8
assign (resid  652 and  name HG2# )(resid  654 and  name HD1# ) 5.5 3.7 0.8
assign (resid  652 and  name HD1# )(resid  728 and  name HE#  ) 5.5 3.7 2.3
assign (resid  652 and  name HD1# )(resid  728 and  name HD#  ) 5.5 3.7 2.3
assign (resid  652 and  name HD1# )(resid  652 and  name HB   ) 5.5 3.7 0.8
assign (resid  652 and  name HD1# )(resid  667 and  name HB   ) 5.5 3.7 0.8
assign (resid  652 and  name HD1# )(resid  654 and  name HB   ) 5.5 3.7 0.8
assign (resid  652 and  name HD1# )(resid  665 and  name HD#  ) 5.5 3.7 0.8
assign (resid  652 and  name HD1# )(resid  678 and  name HG2# ) 5.5 3.7 0.8
assign (resid  652 and  name HD1# )(resid  654 and  name HD1# ) 5.5 3.7 0.8
assign (resid  652 and  name HD1# )(resid  678 and  name HG1# ) 5.5 3.7 0.8
assign (resid  653 and  name HA   )(resid  666 and  name HA   ) 5.0 3.2 0.8
assign (resid  653 and  name HA   )(resid  666 and  name HB#  ) 5.0 3.2 0.8
assign (resid  653 and  name HA   )(resid  653 and  name HB1  ) 5.0 3.2 0.8
assign (resid  653 and  name HA   )(resid  653 and  name HB2  ) 5.0 3.2 0.8
assign (resid  654 and  name HA   )(resid  729 and  name HA   ) 5.0 3.2 0.8
assign (resid  654 and  name HA   )(resid  654 and  name HG1# ) 5.0 3.2 0.8
assign (resid  654 and  name HA   )(resid  654 and  name HG2# ) 5.5 3.7 0.8
assign (resid  654 and  name HA   )(resid  654 and  name HD1# ) 5.5 3.7 0.8
assign (resid  654 and  name HB   )(resid  654 and  name HG1# ) 4.0 2.2 0.6
assign (resid  654 and  name HB   )(resid  654 and  name HG2# ) 4.5 2.7 0.6
assign (resid  654 and  name HB   )(resid  654 and  name HD1# ) 5.5 3.7 0.8
assign (resid  655 and  name HA   )(resid  656 and  name HA   ) 5.0 3.2 0.8
assign (resid  655 and  name HA   )(resid  655 and  name HB#  ) 4.0 2.2 0.6
assign (resid  655 and  name HA   )(resid  657 and  name HG#  ) 5.0 3.2 0.8
assign (resid  655 and  name HA   )(resid  657 and  name HB#  ) 5.0 3.2 0.8
assign (resid  655 and  name HA   )(resid  656 and  name HB   ) 5.0 3.2 0.8
assign (resid  655 and  name HA   )(resid  665 and  name HB2  ) 5.0 3.2 0.8
assign (resid  655 and  name HA   )(resid  688 and  name HD#  ) 5.5 3.7 0.8
assign (resid  656 and  name HA   )(resid  730 and  name HA   ) 5.0 3.2 0.8
assign (resid  656 and  name HA   )(resid  730 and  name HG   ) 4.0 2.2 0.6
assign (resid  656 and  name HA   )(resid  656 and  name HG1# ) 5.5 3.7 0.8
assign (resid  656 and  name HB   )(resid  688 and  name HB#  ) 5.0 3.2 0.8
assign (resid  656 and  name HB   )(resid  730 and  name HG   ) 5.0 3.2 0.8
assign (resid  656 and  name HG1# )(resid  655 and  name HA   ) 5.5 3.7 0.8
assign (resid  656 and  name HG1# )(resid  664 and  name HB#  ) 5.5 3.7 0.8
assign (resid  656 and  name HG1# )(resid  730 and  name HB#  ) 5.5 3.7 0.8
assign (resid  656 and  name HG2# )(resid  664 and  name HD#  ) 5.5 3.7 2.3
assign (resid  656 and  name HG2# )(resid  664 and  name HE#  ) 5.5 3.7 2.3
assign (resid  656 and  name HG2# )(resid  664 and  name HB#  ) 5.5 3.7 0.8
assign (resid  656 and  name HG2# )(resid  689 and  name HB2  ) 5.5 3.7 0.8
assign (resid  656 and  name HG2# )(resid  683 and  name HB#  ) 5.5 3.7 0.8
assign (resid  656 and  name HG2# )(resid  688 and  name HD*  ) 5.5 3.7 0.8
assign (resid  657 and  name HA   )(resid  657 and  name HG#  ) 5.0 3.2 0.8
assign (resid  657 and  name HA   )(resid  731 and  name HB#  ) 5.0 3.2 0.8
assign (resid  657 and  name HB#  )(resid  657 and  name HG#  ) 5.0 3.2 0.8
assign (resid  658 and  name HA   )(resid  658 and  name HB#  ) 3.0 1.2 0.4
assign (resid  658 and  name HA   )(resid  732 and  name HB2  ) 5.0 3.2 0.8
assign (resid  661 and  name HA#  )(resid  662 and  name HB#  ) 5.0 3.2 0.8
assign (resid  662 and  name HB#  )(resid  657 and  name HB#  ) 5.0 3.2 0.8
assign (resid  663 and  name HA   )(resid  664 and  name HE#  ) 5.0 3.2 2.3
assign (resid  663 and  name HA   )(resid  663 and  name HG#  ) 4.0 2.2 0.6
assign (resid  663 and  name HA   )(resid  663 and  name HB1  ) 5.0 3.2 0.8
assign (resid  663 and  name HA   )(resid  663 and  name HB2  ) 4.0 2.2 0.6
assign (resid  663 and  name HB#  )(resid  663 and  name HG#  ) 5.0 3.2 0.8
assign (resid  664 and  name HB#  )(resid  686 and  name HE#  ) 5.0 3.2 0.8
assign (resid  664 and  name HB#  )(resid  664 and  name HD#  ) 5.0 3.2 2.3
assign (resid  664 and  name HB#  )(resid  665 and  name HG#  ) 5.0 3.2 0.8
assign (resid  665 and  name HA   )(resid  664 and  name HD#  ) 5.0 3.2 2.3
assign (resid  665 and  name HA   )(resid  665 and  name HB1  ) 4.0 2.2 0.6
assign (resid  665 and  name HA   )(resid  665 and  name HB2  ) 5.0 3.2 0.8
assign (resid  665 and  name HA   )(resid  665 and  name HG#  ) 4.0 2.2 0.6
assign (resid  665 and  name HA   )(resid  665 and  name HD#  ) 3.0 1.2 0.4
assign (resid  666 and  name HA   )(resid  666 and  name HB#  ) 5.0 3.2 0.8
assign (resid  666 and  name HA   )(resid  653 and  name HB1  ) 5.0 3.2 0.8
assign (resid  666 and  name HA   )(resid  665 and  name HB1  ) 5.0 3.2 0.8
assign (resid  666 and  name HA   )(resid  653 and  name HG#  ) 5.0 3.2 0.8
assign (resid  667 and  name HA   )(resid  667 and  name HB   ) 3.0 1.2 0.4
assign (resid  667 and  name HA   )(resid  667 and  name HG1# ) 4.0 2.2 0.6
assign (resid  667 and  name HA   )(resid  667 and  name HG2# ) 4.5 2.7 0.6
assign (resid  667 and  name HB   )(resid  667 and  name HG2# ) 5.5 3.7 0.8
assign (resid  667 and  name HB   )(resid  667 and  name HG1# ) 5.0 3.2 0.8
assign (resid  667 and  name HG2# )(resid  681 and  name HB#  ) 5.5 3.7 0.8
assign (resid  667 and  name HD1# )(resid  678 and  name HA   ) 5.5 3.7 0.8
assign (resid  667 and  name HD1# )(resid  667 and  name HB   ) 3.5 1.7 0.4
assign (resid  667 and  name HD1# )(resid  652 and  name HD1# ) 5.5 3.7 0.8
assign (resid  668 and  name HB#  )(resid  668 and  name HG#  ) 4.0 2.2 0.6
assign (resid  669 and  name HA   )(resid  669 and  name HB#  ) 4.0 2.2 0.6
assign (resid  670 and  name HA   )(resid  649 and  name HA   ) 5.0 3.2 0.8
assign (resid  670 and  name HA   )(resid  670 and  name HB   ) 5.0 3.2 0.8
assign (resid  670 and  name HA   )(resid  649 and  name HB   ) 5.0 3.2 0.8
assign (resid  670 and  name HA   )(resid  669 and  name HB#  ) 5.0 3.2 0.8
assign (resid  670 and  name HA   )(resid  670 and  name HG2# ) 5.5 3.7 0.8
assign (resid  670 and  name HA   )(resid  649 and  name HG2# ) 5.5 3.7 0.8
assign (resid  670 and  name HB   )(resid  671 and  name HB#  ) 5.0 3.2 0.8
assign (resid  670 and  name HB   )(resid  670 and  name HG2# ) 4.5 2.7 0.6
assign (resid  670 and  name HG2# )(resid  649 and  name HA   ) 5.5 3.7 0.8
assign (resid  671 and  name HA   )(resid  717 and  name HD#  ) 5.0 3.2 2.3
assign (resid  671 and  name HA   )(resid  717 and  name HE#  ) 5.0 3.2 2.3
assign (resid  671 and  name HA   )(resid  671 and  name HB#  ) 5.0 3.2 0.8
assign (resid  671 and  name HA   )(resid  648 and  name HB#  ) 5.0 3.2 0.8
assign (resid  671 and  name HA   )(resid  670 and  name HG2# ) 5.5 3.7 0.8
assign (resid  671 and  name HB#  )(resid  718 and  name HE#  ) 5.0 3.2 2.3
assign (resid  671 and  name HB#  )(resid  648 and  name HB#  ) 5.0 3.2 0.8
assign (resid  671 and  name HB#  )(resid  670 and  name HG2# ) 5.5 3.7 0.8
assign (resid  672 and  name HA   )(resid  717 and  name HZ   ) 5.0 3.2 0.8
assign (resid  672 and  name HA   )(resid  718 and  name HD#  ) 5.0 3.2 2.3
assign (resid  672 and  name HA   )(resid  717 and  name HE#  ) 5.0 3.2 2.3
assign (resid  672 and  name HA   )(resid  715 and  name HB#  ) 5.0 3.2 0.8
assign (resid  672 and  name HA   )(resid  671 and  name HB#  ) 5.0 3.2 0.8
assign (resid  672 and  name HA   )(resid  672 and  name HG#  ) 2.5 0.7 0.3
assign (resid  672 and  name HA   )(resid  672 and  name HB#  ) 3.0 1.2 0.4
assign (resid  672 and  name HB#  )(resid  718 and  name HD#  ) 5.0 3.2 2.3
assign (resid  672 and  name HB#  )(resid  672 and  name HG#  ) 3.0 1.2 0.4
assign (resid  672 and  name HG#  )(resid  672 and  name HE2# ) 3.0 1.2 0.4
assign (resid  672 and  name HG#  )(resid  718 and  name HB#  ) 5.0 3.2 0.8
assign (resid  673 and  name HA   )(resid  674 and  name HA   ) 5.0 3.2 0.8
assign (resid  673 and  name HA   )(resid  673 and  name HB#  ) 5.0 3.2 0.8
assign (resid  673 and  name HA   )(resid  677 and  name HB#  ) 5.5 3.7 0.8
assign (resid  674 and  name HA   )(resid  675 and  name HA   ) 5.0 3.2 0.8
assign (resid  674 and  name HA   )(resid  674 and  name HE#  ) 5.0 3.2 0.8
assign (resid  674 and  name HA   )(resid  674 and  name HB#  ) 5.0 3.2 0.8
assign (resid  674 and  name HA   )(resid  677 and  name HB#  ) 5.5 3.7 0.8
assign (resid  674 and  name HA   )(resid  674 and  name HD#  ) 5.0 3.2 0.8
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assign (resid  680 and  name HB#  )(resid  679 and  name HG2# ) 5.5 3.7 0.8
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assign (resid  682 and  name HB#  )(resid  654 and  name HG1# ) 5.5 3.7 0.8
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assign (resid  682 and  name HB#  )(resid  654 and  name HD1# ) 5.5 3.7 0.8
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assign (resid  683 and  name HA   )(resid  684 and  name HA   ) 5.0 3.2 0.8
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assign (resid  683 and  name HA   )(resid  683 and  name HG#  ) 5.0 3.2 0.8
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assign (resid  684 and  name HA   )(resid  688 and  name HD*  ) 5.5 3.7 0.8
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assign (resid  685 and  name HB#  )(resid  685 and  name HG#  ) 5.0 3.2 0.8
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assign (resid  685 and  name HB#  )(resid  665 and  name HG#  ) 5.0 3.2 0.8
assign (resid  685 and  name HE#  )(resid  685 and  name HG#  ) 2.5 0.7 0.3
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assign (resid  686 and  name HA   )(resid  686 and  name HD2  ) 5.0 3.2 0.8
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assign (resid  686 and  name HB1  )(resid  688 and  name HB#  ) 5.0 3.2 0.8
assign (resid  686 and  name HB1  )(resid  688 and  name HD#  ) 5.5 3.7 0.8
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assign (resid  687 and  name HA   )(resid  688 and  name HD#  ) 5.5 3.7 0.8
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assign (resid  687 and  name HB2  )(resid  687 and  name HD2# ) 5.0 3.2 0.8
assign (resid  687 and  name HB2  )(resid  688 and  name HA   ) 5.0 3.2 0.8
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assign (resid  687 and  name HB1  )(resid  687 and  name HD2# ) 5.0 3.2 0.8
assign (resid  687 and  name HB1  )(resid  686 and  name HA   ) 5.0 3.2 0.8
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assign (resid  688 and  name HB1  )(resid  657 and  name HB#  ) 5.0 3.2 0.8
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assign (resid  689 and  name HA   )(resid  689 and  name HG#  ) 2.5 0.7 0.3
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assign (resid  689 and  name HB1  )(resid  688 and  name HD*  ) 5.5 3.7 0.8
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assign (resid  690 and  name HA   )(resid  689 and  name HG#  ) 5.0 3.2 0.8
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assign (resid  691 and  name HB1  )(resid  696 and  name HE#  ) 5.0 3.2 2.3
assign (resid  691 and  name HB1  )(resid  693 and  name HN   ) 5.0 3.2 0.8
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assign (resid  695 and  name HA   )(resid  695 and  name HG#  ) 2.5 0.7 0.3
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assign (resid  698 and  name HA   )(resid  698 and  name HG   ) 4.0 2.2 0.6
assign (resid  698 and  name HA   )(resid  698 and  name HD1# ) 5.5 3.7 0.8
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assign (resid  698 and  name HB#  )(resid  730 and  name HB#  ) 5.0 3.2 0.8
assign (resid  698 and  name HD1# )(resid  698 and  name HG   ) 5.5 3.7 0.8
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assign (resid  698 and  name HD1# )(resid  679 and  name HD1# ) 5.5 3.7 0.8
assign (resid  699 and  name HA   )(resid  709 and  name HA   ) 5.0 3.2 0.8
assign (resid  699 and  name HA   )(resid  699 and  name HB   ) 5.0 3.2 0.8
assign (resid  699 and  name HA   )(resid  700 and  name HB2  ) 5.0 3.2 0.8
assign (resid  699 and  name HA   )(resid  699 and  name HG1# ) 5.5 3.7 0.8
assign (resid  699 and  name HA   )(resid  699 and  name HG2# ) 5.5 3.7 0.8
assign (resid  699 and  name HA   )(resid  709 and  name HG2# ) 5.5 3.7 0.8
assign (resid  699 and  name HB   )(resid  700 and  name HA   ) 5.0 3.2 0.8
assign (resid  699 and  name HB   )(resid  729 and  name HG1# ) 5.0 3.2 0.8
assign (resid  699 and  name HG2# )(resid  698 and  name HA   ) 5.5 3.7 0.8
assign (resid  700 and  name HA   )(resid  728 and  name HE#  ) 5.0 3.2 2.3
assign (resid  700 and  name HA   )(resid  728 and  name HD#  ) 5.0 3.2 2.3
assign (resid  700 and  name HA   )(resid  728 and  name HA   ) 5.0 3.2 0.8
assign (resid  700 and  name HA   )(resid  700 and  name HB2  ) 5.0 3.2 0.8
assign (resid  701 and  name HA   )(resid  707 and  name HA   ) 5.0 3.2 0.8
assign (resid  701 and  name HA   )(resid  701 and  name HB   ) 4.0 2.2 0.6
assign (resid  701 and  name HA   )(resid  707 and  name HB2  ) 5.0 3.2 0.8
assign (resid  701 and  name HA   )(resid  701 and  name HG*  ) 4.5 2.7 0.6
assign (resid  701 and  name HB   )(resid  700 and  name HA   ) 5.0 3.2 0.8
assign (resid  701 and  name HB   )(resid  701 and  name HG*  ) 4.5 2.7 0.6
assign (resid  702 and  name HA   )(resid  724 and  name HB   ) 5.0 3.2 0.8
assign (resid  702 and  name HA   )(resid  702 and  name HB   ) 5.0 3.2 0.8
assign (resid  702 and  name HA   )(resid  702 and  name HG1# ) 4.0 2.2 0.6
assign (resid  702 and  name HA   )(resid  702 and  name HG2# ) 4.5 2.7 0.6
assign (resid  702 and  name HA   )(resid  724 and  name HG#  ) 4.5 2.7 0.6
assign (resid  702 and  name HA   )(resid  702 and  name HD1# ) 4.5 2.7 0.6
assign (resid  702 and  name HB   )(resid  706 and  name HB#  ) 4.0 2.2 0.6
assign (resid  702 and  name HB   )(resid  706 and  name HD#  ) 5.0 3.2 0.8
assign (resid  702 and  name HB   )(resid  702 and  name HG1# ) 4.0 2.2 0.6
assign (resid  702 and  name HB   )(resid  702 and  name HG2# ) 5.5 3.7 0.8
assign (resid  702 and  name HB   )(resid  702 and  name HD1# ) 5.5 3.7 0.8
assign (resid  702 and  name HG2# )(resid  703 and  name HA   ) 5.5 3.7 0.8
assign (resid  702 and  name HG2# )(resid  706 and  name HB#  ) 5.5 3.7 0.8
assign (resid  702 and  name HG2# )(resid  706 and  name HD#  ) 5.5 3.7 0.8
assign (resid  702 and  name HD1# )(resid  726 and  name HD#  ) 5.5 3.7 2.3
assign (resid  702 and  name HD1# )(resid  726 and  name HZ   ) 4.5 2.7 0.6
assign (resid  702 and  name HD1# )(resid  706 and  name HD#  ) 4.5 2.7 0.6
assign (resid  703 and  name HA   )(resid  703 and  name HB#  ) 3.0 1.2 0.4
assign (resid  703 and  name HA   )(resid  704 and  name HG#  ) 4.0 2.2 0.6
assign (resid  703 and  name HA   )(resid  704 and  name HB#  ) 5.0 3.2 0.8
assign (resid  703 and  name HB#  )(resid  704 and  name HG#  ) 5.0 3.2 0.8
assign (resid  703 and  name HB#  )(resid  704 and  name HB#  ) 5.0 3.2 0.8
assign (resid  703 and  name HB#  )(resid  702 and  name HG2# ) 5.5 3.7 0.8
assign (resid  704 and  name HA   )(resid  703 and  name HA   ) 5.0 3.2 0.8
assign (resid  704 and  name HA   )(resid  705 and  name HB#  ) 5.0 3.2 0.8
assign (resid  704 and  name HA   )(resid  704 and  name HB#  ) 2.5 0.7 0.3
assign (resid  704 and  name HB#  )(resid  705 and  name HB#  ) 5.0 3.2 0.8
assign (resid  704 and  name HB#  )(resid  702 and  name HG2# ) 5.5 3.7 0.8
assign (resid  705 and  name HA   )(resid  704 and  name HA   ) 4.0 2.2 0.6
assign (resid  705 and  name HA   )(resid  705 and  name HB#  ) 2.5 0.7 0.3
assign (resid  706 and  name HA   )(resid  705 and  name HB#  ) 5.0 3.2 0.8
assign (resid  706 and  name HA   )(resid  707 and  name HG#  ) 5.0 3.2 0.8
assign (resid  706 and  name HA   )(resid  707 and  name HB1  ) 5.0 3.2 0.8
assign (resid  706 and  name HA   )(resid  706 and  name HB#  ) 3.0 1.2 0.4
assign (resid  706 and  name HA   )(resid  706 and  name HD#  ) 5.0 3.2 0.8
assign (resid  706 and  name HA   )(resid  706 and  name HG#  ) 4.0 2.2 0.6
assign (resid  706 and  name HB#  )(resid  706 and  name HE#  ) 5.0 3.2 0.8
assign (resid  706 and  name HB#  )(resid  706 and  name HD#  ) 4.0 2.2 0.6
assign (resid  706 and  name HB#  )(resid  702 and  name HG1# ) 4.0 2.2 0.6
assign (resid  706 and  name HB#  )(resid  702 and  name HD1# ) 5.5 3.7 0.8
assign (resid  707 and  name HA   )(resid  702 and  name HA   ) 5.0 3.2 0.8
assign (resid  707 and  name HA   )(resid  707 and  name HG#  ) 5.0 3.2 0.8
assign (resid  707 and  name HA   )(resid  707 and  name HB1  ) 4.0 2.2 0.6
assign (resid  707 and  name HA   )(resid  707 and  name HB2  ) 4.0 2.2 0.6
assign (resid  707 and  name HA   )(resid  706 and  name HG#  ) 5.0 3.2 0.8
assign (resid  707 and  name HA   )(resid  702 and  name HG1# ) 5.0 3.2 0.8
assign (resid  707 and  name HA   )(resid  701 and  name HG*  ) 5.5 3.7 0.8
assign (resid  707 and  name HA   )(resid  702 and  name HG2# ) 5.5 3.7 0.8
assign (resid  709 and  name HA   )(resid  709 and  name HB   ) 4.0 2.2 0.6
assign (resid  709 and  name HA   )(resid  700 and  name HB2  ) 5.0 3.2 0.8
assign (resid  709 and  name HA   )(resid  709 and  name HG2# ) 4.5 2.7 0.6
assign (resid  709 and  name HA   )(resid  709 and  name HG1# ) 4.5 2.7 0.6
assign (resid  709 and  name HB   )(resid  710 and  name HB   ) 4.0 2.2 0.6
assign (resid  709 and  name HB   )(resid  699 and  name HA   ) 5.0 3.2 0.8
assign (resid  709 and  name HG1# )(resid  699 and  name HA   ) 5.5 3.7 0.8
assign (resid  709 and  name HG2# )(resid  710 and  name HB   ) 5.5 3.7 0.8
assign (resid  710 and  name HA   )(resid  696 and  name HD#  ) 5.0 3.2 2.3
assign (resid  710 and  name HA   )(resid  710 and  name HG#  ) 2.5 0.7 0.3
assign (resid  710 and  name HA   )(resid  710 and  name HG2# ) 5.5 3.7 0.8
assign (resid  710 and  name HA   )(resid  698 and  name HD1# ) 5.5 3.7 0.8
assign (resid  711 and  name HA   )(resid  710 and  name HA   ) 5.0 3.2 0.8
assign (resid  711 and  name HA   )(resid  692 and  name HD#  ) 4.0 2.2 0.6
assign (resid  711 and  name HA   )(resid  712 and  name HB2  ) 4.0 2.2 0.6
assign (resid  711 and  name HA   )(resid  711 and  name HB#  ) 3.0 1.2 0.4
assign (resid  711 and  name HA   )(resid  692 and  name HB#  ) 4.0 2.2 0.6
assign (resid  711 and  name HA   )(resid  692 and  name HG#  ) 3.0 1.2 0.4
assign (resid  711 and  name HA   )(resid  711 and  name HG#  ) 4.0 2.2 0.6
assign (resid  711 and  name HA   )(resid  679 and  name HG1# ) 5.0 3.2 0.8
assign (resid  711 and  name HA   )(resid  679 and  name HD1# ) 5.5 3.7 0.8
assign (resid  711 and  name HB#  )(resid  711 and  name HG#  ) 3.0 1.2 0.4
assign (resid  711 and  name HB#  )(resid  710 and  name HG2# ) 5.5 3.7 0.8
assign (resid  711 and  name HG#  )(resid  710 and  name HA   ) 4.0 2.2 0.6
assign (resid  711 and  name HG#  )(resid  710 and  name HB   ) 5.0 3.2 0.8
assign (resid  711 and  name HG#  )(resid  710 and  name HG1# ) 5.0 3.2 0.8
assign (resid  711 and  name HD#  )(resid  710 and  name HG1# ) 5.0 3.2 0.8
assign (resid  712 and  name HA   )(resid  675 and  name HB   ) 3.0 1.2 0.4
assign (resid  712 and  name HA   )(resid  675 and  name HA   ) 5.0 3.2 0.8
assign (resid  712 and  name HA   )(resid  712 and  name HB#  ) 2.5 0.7 0.3
assign (resid  712 and  name HA   )(resid  675 and  name HG2# ) 5.5 3.7 0.8
assign (resid  712 and  name HB#  )(resid  713 and  name HB#  ) 5.0 3.2 0.8
assign (resid  712 and  name HB#  )(resid  675 and  name HA   ) 5.0 3.2 0.8
assign (resid  712 and  name HB#  )(resid  675 and  name HG2# ) 5.5 3.7 0.8
assign (resid  713 and  name HA   )(resid  712 and  name HA   ) 4.0 2.2 0.6
assign (resid  713 and  name HA   )(resid  713 and  name HB#  ) 2.5 0.7 0.3
assign (resid  713 and  name HA   )(resid  675 and  name HA   ) 5.0 3.2 0.8
assign (resid  713 and  name HA   )(resid  674 and  name HE#  ) 5.0 3.2 0.8
assign (resid  713 and  name HA   )(resid  712 and  name HB#  ) 4.0 2.2 0.6
assign (resid  713 and  name HA   )(resid  674 and  name HG#  ) 4.0 2.2 0.6
assign (resid  713 and  name HA   )(resid  714 and  name HB#  ) 5.5 3.7 0.8
assign (resid  713 and  name HA   )(resid  708 and  name HD*  ) 5.5 3.7 0.8
assign (resid  713 and  name HB#  )(resid  675 and  name HA   ) 5.0 3.2 0.8
assign (resid  713 and  name HB#  )(resid  674 and  name HB#  ) 4.0 2.2 0.6
assign (resid  713 and  name HB#  )(resid  674 and  name HG#  ) 5.0 3.2 0.8
assign (resid  714 and  name HA   )(resid  715 and  name HB#  ) 5.0 3.2 0.8
assign (resid  714 and  name HA   )(resid  714 and  name HB#  ) 4.5 2.7 0.6
assign (resid  714 and  name HA   )(resid  716 and  name HG#  ) 5.5 3.7 0.8
assign (resid  714 and  name HB#  )(resid  715 and  name HA   ) 5.5 3.7 0.8
assign (resid  714 and  name HB#  )(resid  715 and  name HB#  ) 5.5 3.7 0.8
assign (resid  715 and  name HA   )(resid  674 and  name HA   ) 5.0 3.2 0.8
assign (resid  715 and  name HA   )(resid  714 and  name HA   ) 5.0 3.2 0.8
assign (resid  715 and  name HA   )(resid  715 and  name HB#  ) 5.0 3.2 0.8
assign (resid  715 and  name HA   )(resid  674 and  name HB#  ) 4.0 2.2 0.6
assign (resid  715 and  name HB#  )(resid  674 and  name HB#  ) 5.0 3.2 0.8
assign (resid  715 and  name HB#  )(resid  674 and  name HG#  ) 5.0 3.2 0.8
assign (resid  716 and  name HA   )(resid  719 and  name HA   ) 5.0 3.2 0.8
assign (resid  716 and  name HA   )(resid  716 and  name HB   ) 5.0 3.2 0.8
assign (resid  716 and  name HA   )(resid  719 and  name HB#  ) 5.5 3.7 0.8
assign (resid  716 and  name HA   )(resid  716 and  name HG2# ) 5.5 3.7 0.8
assign (resid  716 and  name HA   )(resid  716 and  name HG1# ) 5.5 3.7 0.8
assign (resid  716 and  name HG2# )(resid  714 and  name HA   ) 5.5 3.7 0.8
assign (resid  716 and  name HG2# )(resid  708 and  name HD1# ) 5.5 3.7 0.8
assign (resid  716 and  name HG2# )(resid  708 and  name HD2# ) 5.5 3.7 0.8
assign (resid  716 and  name HG2# )(resid  715 and  name HB#  ) 5.5 3.7 0.8
assign (resid  717 and  name HA   )(resid  717 and  name HD#  ) 5.0 3.2 2.3
assign (resid  717 and  name HA   )(resid  717 and  name HE#  ) 5.0 3.2 2.3
assign (resid  717 and  name HA   )(resid  717 and  name HB#  ) 5.0 3.2 0.8
assign (resid  717 and  name HB#  )(resid  717 and  name HD#  ) 5.0 3.2 2.3
assign (resid  717 and  name HB#  )(resid  717 and  name HE#  ) 5.0 3.2 2.3
assign (resid  717 and  name HB#  )(resid  717 and  name HZ   ) 5.0 3.2 0.8
assign (resid  718 and  name HA   )(resid  718 and  name HE#  ) 4.0 2.2 2.1
assign (resid  718 and  name HA   )(resid  718 and  name HD#  ) 2.5 0.7 1.8
assign (resid  718 and  name HA   )(resid  719 and  name HA   ) 5.0 3.2 0.8
assign (resid  718 and  name HA   )(resid  718 and  name HB#  ) 3.0 1.2 0.4
assign (resid  718 and  name HA   )(resid  719 and  name HB#  ) 5.5 3.7 0.8
assign (resid  718 and  name HB#  )(resid  718 and  name HD#  ) 4.0 2.2 2.1
assign (resid  718 and  name HB#  )(resid  718 and  name HE#  ) 5.0 3.2 2.3
assign (resid  718 and  name HB#  )(resid  719 and  name HA   ) 5.0 3.2 0.8
assign (resid  718 and  name HB#  )(resid  719 and  name HB#  ) 5.5 3.7 0.8
assign (resid  719 and  name HA   )(resid  718 and  name HD#  ) 5.0 3.2 2.3
assign (resid  719 and  name HA   )(resid  720 and  name HA   ) 5.0 3.2 0.8
assign (resid  719 and  name HA   )(resid  719 and  name HB#  ) 3.5 1.7 0.4
assign (resid  719 and  name HB#  )(resid  718 and  name HD#  ) 5.5 3.7 2.3
assign (resid  719 and  name HB#  )(resid  721 and  name HD2# ) 5.5 3.7 0.8
assign (resid  719 and  name HB#  )(resid  720 and  name HA   ) 5.5 3.7 0.8
assign (resid  719 and  name HB#  )(resid  720 and  name HG#  ) 5.5 3.7 0.8
assign (resid  720 and  name HA   )(resid  721 and  name HB#  ) 5.0 3.2 0.8
assign (resid  720 and  name HA   )(resid  720 and  name HG#  ) 5.0 3.2 0.8
assign (resid  720 and  name HA   )(resid  720 and  name HB#  ) 5.0 3.2 0.8
assign (resid  721 and  name HA   )(resid  718 and  name HD#  ) 5.0 3.2 2.3
assign (resid  721 and  name HA   )(resid  722 and  name HA   ) 5.0 3.2 0.8
assign (resid  721 and  name HA   )(resid  720 and  name HA   ) 5.0 3.2 0.8
assign (resid  721 and  name HA   )(resid  722 and  name HB2  ) 5.0 3.2 0.8
assign (resid  721 and  name HA   )(resid  722 and  name HB1  ) 5.0 3.2 0.8
assign (resid  721 and  name HA   )(resid  721 and  name HB#  ) 5.0 3.2 0.8
assign (resid  722 and  name HA   )(resid  717 and  name HE#  ) 5.0 3.2 2.3
assign (resid  722 and  name HA   )(resid  717 and  name HZ   ) 4.0 2.2 0.6
assign (resid  722 and  name HA   )(resid  718 and  name HD#  ) 4.0 2.2 2.1
assign (resid  722 and  name HA   )(resid  721 and  name HD2# ) 4.0 2.2 0.6
assign (resid  722 and  name HA   )(resid  722 and  name HB2  ) 4.0 2.2 0.6
assign (resid  722 and  name HA   )(resid  722 and  name HB1  ) 4.0 2.2 0.6
assign (resid  722 and  name HA   )(resid  721 and  name HB#  ) 5.0 3.2 0.8
assign (resid  722 and  name HB#  )(resid  717 and  name HZ   ) 5.0 3.2 0.8
assign (resid  722 and  name HB#  )(resid  718 and  name HD#  ) 5.0 3.2 2.3
assign (resid  722 and  name HB#  )(resid  721 and  name HD2# ) 5.0 3.2 0.8
assign (resid  722 and  name HB#  )(resid  723 and  name HB1  ) 5.0 3.2 0.8
assign (resid  723 and  name HA   )(resid  723 and  name HB1  ) 2.5 0.7 0.3
assign (resid  723 and  name HA   )(resid  702 and  name HG2# ) 5.5 3.7 0.8
assign (resid  723 and  name HA   )(resid  702 and  name HD1# ) 5.5 3.7 0.8
assign (resid  723 and  name HB1  )(resid  702 and  name HG2# ) 5.5 3.7 0.8
assign (resid  724 and  name HA   )(resid  725 and  name HB2  ) 5.0 3.2 0.8
assign (resid  724 and  name HA   )(resid  724 and  name HB   ) 3.0 1.2 0.4
assign (resid  724 and  name HA   )(resid  724 and  name HG#  ) 3.5 1.7 0.4
assign (resid  724 and  name HB   )(resid  725 and  name HB1  ) 5.0 3.2 0.8
assign (resid  725 and  name HA   )(resid  726 and  name HD#  ) 5.0 3.2 2.3
assign (resid  725 and  name HA   )(resid  724 and  name HA   ) 5.0 3.2 0.8
assign (resid  725 and  name HA   )(resid  726 and  name HB2  ) 5.0 3.2 0.8
assign (resid  725 and  name HA   )(resid  725 and  name HB1  ) 4.0 2.2 0.6
assign (resid  725 and  name HA   )(resid  725 and  name HB2  ) 4.0 2.2 0.6
assign (resid  726 and  name HA   )(resid  726 and  name HB2  ) 5.0 3.2 0.8
assign (resid  727 and  name HA   )(resid  728 and  name HE#  ) 5.0 3.2 2.3
assign (resid  727 and  name HA   )(resid  728 and  name HZ   ) 5.0 3.2 0.8
assign (resid  727 and  name HA   )(resid  728 and  name HD#  ) 5.0 3.2 2.3
assign (resid  727 and  name HA   )(resid  728 and  name HB1  ) 5.0 3.2 0.8
assign (resid  727 and  name HA   )(resid  727 and  name HB2  ) 5.0 3.2 0.8
assign (resid  727 and  name HA   )(resid  727 and  name HB1  ) 5.0 3.2 0.8
assign (resid  727 and  name HA   )(resid  653 and  name HB1  ) 5.0 3.2 0.8
assign (resid  727 and  name HA   )(resid  653 and  name HB2  ) 5.0 3.2 0.8
assign (resid  728 and  name HA   )(resid  728 and  name HD#  ) 5.0 3.2 2.3
assign (resid  728 and  name HA   )(resid  728 and  name HB2  ) 5.0 3.2 0.8
assign (resid  728 and  name HA   )(resid  728 and  name HB1  ) 5.0 3.2 0.8
assign (resid  728 and  name HA   )(resid  700 and  name HB2  ) 5.0 3.2 0.8
assign (resid  728 and  name HA   )(resid  729 and  name HB   ) 5.0 3.2 0.8
assign (resid  728 and  name HA   )(resid  729 and  name HG1# ) 5.0 3.2 0.8
assign (resid  729 and  name HA   )(resid  728 and  name HB2  ) 5.0 3.2 0.8
assign (resid  729 and  name HA   )(resid  729 and  name HB   ) 4.0 2.2 0.6
assign (resid  729 and  name HA   )(resid  729 and  name HG1# ) 5.0 3.2 0.8
assign (resid  729 and  name HA   )(resid  729 and  name HD1# ) 5.5 3.7 0.8
assign (resid  729 and  name HB   )(resid  699 and  name HB   ) 4.0 2.2 0.6
assign (resid  729 and  name HB   )(resid  729 and  name HG1# ) 4.0 2.2 0.6
assign (resid  729 and  name HB   )(resid  729 and  name HG2# ) 4.5 2.7 0.6
assign (resid  729 and  name HG1# )(resid  729 and  name HG2# ) 4.5 2.7 0.6
assign (resid  729 and  name HG2# )(resid  730 and  name HA   ) 5.5 3.7 0.8
assign (resid  729 and  name HG2# )(resid  699 and  name HB   ) 5.5 3.7 0.8
assign (resid  730 and  name HA   )(resid  731 and  name HA   ) 5.0 3.2 0.8
assign (resid  730 and  name HA   )(resid  729 and  name HA   ) 5.0 3.2 0.8
assign (resid  730 and  name HA   )(resid  698 and  name HB#  ) 5.0 3.2 0.8
assign (resid  730 and  name HA   )(resid  730 and  name HB#  ) 5.0 3.2 0.8
assign (resid  730 and  name HA   )(resid  698 and  name HG   ) 5.0 3.2 0.8
assign (resid  730 and  name HA   )(resid  698 and  name HD#  ) 5.5 3.7 0.8
assign (resid  730 and  name HA   )(resid  730 and  name HG   ) 5.0 3.2 0.8
assign (resid  730 and  name HA   )(resid  730 and  name HD#  ) 5.5 3.7 0.8
assign (resid  731 and  name HA   )(resid  656 and  name HA   ) 5.0 3.2 0.8
assign (resid  731 and  name HA   )(resid  731 and  name HD#  ) 4.0 2.2 0.6
assign (resid  731 and  name HA   )(resid  731 and  name HB#  ) 4.0 2.2 0.6
assign (resid  731 and  name HA   )(resid  731 and  name HG#  ) 3.0 1.2 0.4
assign (resid  731 and  name HB#  )(resid  696 and  name HD#  ) 5.0 3.2 2.3
assign (resid  732 and  name HA   )(resid  696 and  name HA   ) 4.0 2.2 0.6
assign (resid  732 and  name HA   )(resid  732 and  name HB1  ) 4.0 2.2 0.6
assign (resid  732 and  name HA   )(resid  732 and  name HB2  ) 4.0 2.2 0.6
assign (resid  732 and  name HA   )(resid  732 and  name HG#  ) 4.0 2.2 0.6
assign (resid  732 and  name HB#  )(resid  732 and  name HG#  ) 4.0 2.2 0.6
assign (resid  733 and  name HA   )(resid  734 and  name HA   ) 4.0 2.2 0.6
assign (resid  733 and  name HA   )(resid  734 and  name HB#  ) 5.0 3.2 0.8
assign (resid  733 and  name HA   )(resid  733 and  name HB#  ) 3.0 1.2 0.4
assign (resid  734 and  name HA   )(resid  734 and  name HB#  ) 2.5 0.7 0.3
assign (resid  734 and  name HA   )(resid  733 and  name HB#  ) 4.0 2.2 0.6
assign (resid  717 and  name HD#  )(resid  718 and  name HD#  ) 5.0 3.2 2.3
assign (resid  717 and  name HD#  )(resid  718 and  name HE#  ) 5.0 3.2 2.3
assign (resid  717 and  name HD#  )(resid  715 and  name HA   ) 5.0 3.2 2.3
assign (resid  717 and  name HD#  )(resid  718 and  name HA   ) 5.0 3.2 2.3
assign (resid  717 and  name HD#  )(resid  716 and  name HA   ) 5.0 3.2 2.3
assign (resid  717 and  name HD#  )(resid  718 and  name HB#  ) 5.0 3.2 2.3
assign (resid  717 and  name HD#  )(resid  716 and  name HB   ) 5.0 3.2 2.3
assign (resid  696 and  name HE#  )(resid  695 and  name HG#  ) 5.0 3.2 2.3
assign (resid  728 and  name HZ   )(resid  700 and  name HA   ) 5.0 3.2 0.8
assign (resid  728 and  name HE#  )(resid  654 and  name HA   ) 5.0 3.2 2.3
assign (resid  717 and  name HE#  )(resid  715 and  name HA   ) 5.0 3.2 2.3
assign (resid  717 and  name HE#  )(resid  718 and  name HA   ) 5.0 3.2 2.3
assign (resid  728 and  name HD#  )(resid  729 and  name HA   ) 5.0 3.2 2.3
assign (resid  686 and  name HE#  )(resid  664 and  name HD#  ) 5.0 3.2 2.3
assign (resid  686 and  name HE#  )(resid  664 and  name HE#  ) 5.0 3.2 2.3
assign (resid  686 and  name HD2  )(resid  664 and  name HD#  ) 5.0 3.2 2.3
!
! alpha helix constraints
!
assign (resid  678 and name HN   )(resid  674 and name O    ) 2.3 0.8 0.2
assign (resid  678 and name N    )(resid  674 and name O    ) 3.3 0.8 0.2
assign (resid  679 and name HN   )(resid  675 and name O    ) 2.3 0.8 0.2
assign (resid  679 and name N    )(resid  675 and name O    ) 3.3 0.8 0.2
assign (resid  680 and name HN   )(resid  676 and name O    ) 2.3 0.8 0.2
assign (resid  680 and name N    )(resid  676 and name O    ) 3.3 0.8 0.2
assign (resid  681 and name HN   )(resid  677 and name O    ) 2.3 0.8 0.2
assign (resid  681 and name N    )(resid  677 and name O    ) 3.3 0.8 0.2
assign (resid  682 and name HN   )(resid  678 and name O    ) 2.3 0.8 0.2
assign (resid  682 and name N    )(resid  678 and name O    ) 3.3 0.8 0.2
assign (resid  683 and name HN   )(resid  679 and name O    ) 2.3 0.8 0.2
assign (resid  683 and name N    )(resid  679 and name O    ) 3.3 0.8 0.2
assign (resid  684 and name HN   )(resid  680 and name O    ) 2.3 0.8 0.2
assign (resid  684 and name N    )(resid  680 and name O    ) 3.3 0.8 0.2
!
! beta sheet constraints
!
! sheet1 <-> sheet2  Anti-parallel
assign (resid  652 and name HN   )(resid  667 and name O    ) 2.3 0.8 0.2
assign (resid  652 and name N    )(resid  667 and name O    ) 3.3 0.8 0.2
assign (resid  667 and name HN   )(resid  652 and name O    ) 2.3 0.8 0.2
assign (resid  667 and name N    )(resid  652 and name O    ) 3.3 0.8 0.2
assign (resid  654 and name HN   )(resid  665 and name O    ) 2.3 0.8 0.2
assign (resid  654 and name N    )(resid  665 and name O    ) 3.3 0.8 0.2
assign (resid  665 and name HN   )(resid  654 and name O    ) 2.3 0.8 0.2
assign (resid  665 and name N    )(resid  654 and name O    ) 3.3 0.8 0.2
! sheet3 <-> sheet4  Anti-parallel
assign (resid  700 and name HN   )(resid  708 and name O    ) 2.3 0.8 0.2
assign (resid  700 and name N    )(resid  708 and name O    ) 3.3 0.8 0.2
assign (resid  708 and name HN   )(resid  700 and name O    ) 2.3 0.8 0.2
assign (resid  708 and name N    )(resid  700 and name O    ) 3.3 0.8 0.2
! sheet3 <-> sheet5  Anti-parallel
assign (resid  697 and name HN   )(resid  731 and name O    ) 2.3 0.8 0.2
assign (resid  697 and name N    )(resid  731 and name O    ) 3.3 0.8 0.2
assign (resid  731 and name HN   )(resid  697 and name O    ) 2.3 0.8 0.2
assign (resid  731 and name N    )(resid  697 and name O    ) 3.3 0.8 0.2
assign (resid  699 and name HN   )(resid  729 and name O    ) 2.3 0.8 0.2
assign (resid  699 and name N    )(resid  729 and name O    ) 3.3 0.8 0.2
assign (resid  729 and name HN   )(resid  699 and name O    ) 2.3 0.8 0.2
assign (resid  729 and name N    )(resid  699 and name O    ) 3.3 0.8 0.2
! sheet1 <-> sheet5  Parallel
assign (resid  726 and name HN   )(resid  651 and name O    ) 2.3 0.8 0.2
assign (resid  726 and name N    )(resid  651 and name O    ) 3.3 0.8 0.2
assign (resid  653 and name HN   )(resid  726 and name O    ) 2.3 0.8 0.2
assign (resid  653 and name N    )(resid  726 and name O    ) 3.3 0.8 0.2
assign (resid  728 and name HN   )(resid  653 and name O    ) 2.3 0.8 0.2
assign (resid  728 and name N    )(resid  653 and name O    ) 3.3 0.8 0.2
assign (resid  655 and name HN   )(resid  728 and name O    ) 2.3 0.8 0.2
assign (resid  655 and name N    )(resid  728 and name O    ) 3.3 0.8 0.2
!!
!! phi angle constreints from CSI values

assign (resid 648 and name c)
       (resid 649 and name n)
       (resid 649 and name ca)
       (resid 649 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 649 and name c)
       (resid 650 and name n)
       (resid 650 and name ca)
       (resid 650 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 650 and name c)
       (resid 651 and name n)
       (resid 651 and name ca)
       (resid 651 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 651 and name c)
       (resid 652 and name n)
       (resid 652 and name ca)
       (resid 652 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 652 and name c)
       (resid 653 and name n)
       (resid 653 and name ca)
       (resid 653 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 653 and name c)
       (resid 654 and name n)
       (resid 654 and name ca)
       (resid 654 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 654 and name c)
       (resid 655 and name n)
       (resid 655 and name ca)
       (resid 655 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 655 and name c)
       (resid 656 and name n)
       (resid 656 and name ca)
       (resid 656 and name c)  1.0  -120.0    40.0  2  ! -1.00

!assign (resid 662 and name c)
!       (resid 663 and name n)
!       (resid 663 and name ca)
!       (resid 663 and name c)  1.0  -120.0    40.0  2  ! -1.00

!assign (resid 663 and name c)
!       (resid 664 and name n)
!       (resid 664 and name ca)
!       (resid 664 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 664 and name c)
       (resid 665 and name n)
       (resid 665 and name ca)
       (resid 665 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 666 and name c)
       (resid 667 and name n)
       (resid 667 and name ca)
       (resid 667 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 667 and name c)
       (resid 668 and name n)
       (resid 668 and name ca)
       (resid 668 and name c)  1.0  -120.0    40.0  2  ! -1.00

!assign (resid 668 and name c)
!       (resid 669 and name n)
!       (resid 669 and name ca)
!       (resid 669 and name c)  1.0  -120.0    40.0  2  ! -1.00

!assign (resid 669 and name c)
!       (resid 670 and name n)
!       (resid 670 and name ca)
!       (resid 670 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 674 and name c)
       (resid 675 and name n)
       (resid 675 and name ca)
       (resid 675 and name c)  1.0   -65.0    30.0  2  ! 1.00

assign (resid 676 and name c)
       (resid 677 and name n)
       (resid 677 and name ca)
       (resid 677 and name c)  1.0   -65.0    25.0  2  ! 1.00

assign (resid 677 and name c)
       (resid 678 and name n)
       (resid 678 and name ca)
       (resid 678 and name c)  1.0   -65.0    25.0  2  ! 1.00

assign (resid 678 and name c)
       (resid 679 and name n)
       (resid 679 and name ca)
       (resid 679 and name c)  1.0   -65.0    25.0  2  ! 1.00

assign (resid 679 and name c)
       (resid 680 and name n)
       (resid 680 and name ca)
       (resid 680 and name c)  1.0   -65.0    25.0  2  ! 1.00

assign (resid 680 and name c)
       (resid 681 and name n)
       (resid 681 and name ca)
       (resid 681 and name c)  1.0   -65.0    25.0  2  ! 1.00

assign (resid 681 and name c)
       (resid 682 and name n)
       (resid 682 and name ca)
       (resid 682 and name c)  1.0   -65.0    25.0  2  ! 1.00

assign (resid 682 and name c)
       (resid 683 and name n)
       (resid 683 and name ca)
       (resid 683 and name c)  1.0   -65.0    25.0  2  ! 1.00

assign (resid 683 and name c)
       (resid 684 and name n)
       (resid 684 and name ca)
       (resid 684 and name c)  1.0   -65.0    30.0  2  ! 1.00

assign (resid 696 and name c)
       (resid 697 and name n)
       (resid 697 and name ca)
       (resid 697 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 697 and name c)
       (resid 698 and name n)
       (resid 698 and name ca)
       (resid 698 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 698 and name c)
       (resid 699 and name n)
       (resid 699 and name ca)
       (resid 699 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 699 and name c)
       (resid 700 and name n)
       (resid 700 and name ca)
       (resid 700 and name c)  1.0  -120.0    40.0  2  ! -1.00

!assign (resid 706 and name c) !
!       (resid 707 and name n) !
!       (resid 707 and name ca) !
!       (resid 707 and name c)  1.0  -120.0    40.0  2  ! -1.00 !

assign (resid 707 and name c)
       (resid 708 and name n)
       (resid 708 and name ca)
       (resid 708 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 725 and name c)
       (resid 726 and name n)
       (resid 726 and name ca)
       (resid 726 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 726 and name c)
       (resid 727 and name n)
       (resid 727 and name ca)
       (resid 727 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 727 and name c)
       (resid 728 and name n)
       (resid 728 and name ca)
       (resid 728 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 728 and name c)
       (resid 729 and name n)
       (resid 729 and name ca)
       (resid 729 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 729 and name c)
       (resid 730 and name n)
       (resid 730 and name ca)
       (resid 730 and name c)  1.0  -120.0    40.0  2  ! -1.00

assign (resid 730 and name c)
       (resid 731 and name n)
       (resid 731 and name ca)
       (resid 731 and name c)  1.0  -120.0    40.0  2  ! -1.00

! dihedral restraints end


!! chi1 angle restraints

assign (resid 650 and name n)
       (resid 650 and name ca)
       (resid 650 and name cb)
       (resid 650 and name sg )  1.0   -60.0    60.0  2  !  Cys  -60

assign (resid 651 and name n)
       (resid 651 and name ca)
       (resid 651 and name cb)
       (resid 651 and name cg1)  1.0   180.0    60.0  2  !  Ile  180

assign (resid 653 and name n)
       (resid 653 and name ca)
       (resid 653 and name cb)
       (resid 653 and name cg )  1.0   180.0    60.0  2  !  Arg  180

assign (resid 656 and name n)
       (resid 656 and name ca)
       (resid 656 and name cb)
       (resid 656 and name cg1)  1.0   -60.0    60.0  2  !  Val   g-

assign (resid 663 and name n)
       (resid 663 and name ca)
       (resid 663 and name cb)
       (resid 663 and name cg )  1.0    60.0    60.0  2  !  Met   60

assign (resid 665 and name n)
       (resid 665 and name ca)
       (resid 665 and name cb)
       (resid 665 and name cg )  1.0   -60.0    60.0  2  !  Lys  -60

assign (resid 678 and name n)
       (resid 678 and name ca)
       (resid 678 and name cb)
       (resid 678 and name cg1)  1.0   180.0    60.0  2  !  Val   g+

assign (resid 687 and name n)
       (resid 687 and name ca)
       (resid 687 and name cb)
       (resid 687 and name cg )  1.0    60.0    60.0  2  !  Asn   60

assign (resid 688 and name n)
       (resid 688 and name ca)
       (resid 688 and name cb)
       (resid 688 and name cg )  1.0    60.0    60.0  2  !  Leu   60

assign (resid 689 and name n)
       (resid 689 and name ca)
       (resid 689 and name cb)
       (resid 689 and name cg )  1.0   -60.0    60.0  2  !  Glu  -60

assign (resid 691 and name n)
       (resid 691 and name ca)
       (resid 691 and name cb)
       (resid 691 and name cg )  1.0    60.0    60.0  2  !  Asp   60

assign (resid 700 and name n)
       (resid 700 and name ca)
       (resid 700 and name cb)
       (resid 700 and name cg )  1.0   -60.0    60.0  2  !  Gln  -60

assign (resid 707 and name n)
       (resid 707 and name ca)
       (resid 707 and name cb)
       (resid 707 and name cg )  1.0    60.0    60.0  2  !  Glu   60

assign (resid 709 and name n)
       (resid 709 and name ca)
       (resid 709 and name cb)
       (resid 709 and name cg1)  1.0   180.0    60.0  2  !  Val   g+

assign (resid 716 and name n)
       (resid 716 and name ca)
       (resid 716 and name cb)
       (resid 716 and name cg1)  1.0   -60.0    60.0  2  !  Val   g-

assign (resid 722 and name n)
       (resid 722 and name ca)
       (resid 722 and name cb)
       (resid 722 and name og )  1.0    60.0    60.0  2  !  Ser   60

assign (resid 723 and name n)
       (resid 723 and name ca)
       (resid 723 and name cb)
       (resid 723 and name cg )  1.0    60.0    60.0  2  !  Gln   60

assign (resid 725 and name n)
       (resid 725 and name ca)
       (resid 725 and name cb)
       (resid 725 and name cg )  1.0    60.0    60.0  2  !  Asn   60

assign (resid 726 and name n)
       (resid 726 and name ca)
       (resid 726 and name cb)
       (resid 726 and name cg )  1.0   -60.0    60.0  2  !  Phe  -60

assign (resid 727 and name n)
       (resid 727 and name ca)
       (resid 727 and name cb)
       (resid 727 and name cg )  1.0    60.0    60.0  2  !  Asp   60

assign (resid 728 and name n)
       (resid 728 and name ca)
       (resid 728 and name cb)
       (resid 728 and name cg )  1.0   -60.0    60.0  2  !  Phe  -60

assign (resid 732 and name n)
       (resid 732 and name ca)
       (resid 732 and name cb)
       (resid 732 and name cg )  1.0   -60.0    60.0  2  !  Lys  -60

assign (resid 734 and name n)
       (resid 734 and name ca)
       (resid 734 and name cb)
       (resid 734 and name cg )  1.0    60.0    60.0  2  !  Asn   60


  Entry H atom name         Submitted Coord H atom name
    1    H    GLU 647           HT1      GLU 647  73.375  -8.275  20.563
    2    HA   GLU 647           HA       GLU 647  72.009  -9.052  18.637
    3   1HB   GLU 647           HB2      GLU 647  71.424  -8.482  21.184
    4   2HB   GLU 647           HB1      GLU 647  70.368  -7.295  20.417
    5   1HG   GLU 647           HG2      GLU 647  68.994  -8.893  19.518
    6   2HG   GLU 647           HG1      GLU 647  70.315 -10.035  19.269
    7    H    ASP 648           HN       ASP 648  70.017  -8.272  17.384
    8    HA   ASP 648           HA       ASP 648  69.257  -6.888  15.614
    9   1HB   ASP 648           HB2      ASP 648  69.780  -4.740  17.684
   10   2HB   ASP 648           HB1      ASP 648  68.490  -4.788  16.482
   11    H    THR 649           HN       THR 649  71.233  -7.189  14.297
   12    HA   THR 649           HA       THR 649  72.600  -4.634  13.785
   13    HB   THR 649           HB       THR 649  74.798  -6.237  14.021
   14    HG1  THR 649           HG1      THR 649  74.486  -7.737  15.463
   15   1HG2  THR 649          HG21      THR 649  75.329  -4.947  15.929
   16   2HG2  THR 649          HG22      THR 649  73.640  -4.831  16.424
   17   3HG2  THR 649          HG23      THR 649  74.211  -3.930  15.019
   18    H    CYS 650           HN       CYS 650  73.046  -4.522  11.603
   19    HA   CYS 650           HA       CYS 650  73.571  -7.000  10.063
   20   1HB   CYS 650           HB2      CYS 650  71.071  -5.384  10.056
   21   2HB   CYS 650           HB1      CYS 650  71.667  -5.907   8.481
   22    HG   CYS 650           HG       CYS 650  71.596  -8.399   9.387
   23    H    ILE 651           HN       ILE 651  74.812  -6.559   8.219
   24    HA   ILE 651           HA       ILE 651  75.990  -3.888   8.007
   25    HB   ILE 651           HB       ILE 651  77.345  -5.876   7.729
   26   1HG1  ILE 651          HG12      ILE 651  77.115  -5.069   4.872
   27   2HG1  ILE 651          HG11      ILE 651  77.422  -3.777   6.033
   28   1HG2  ILE 651          HG21      ILE 651  75.019  -6.790   6.303
   29   2HG2  ILE 651          HG22      ILE 651  76.413  -7.724   6.844
   30   3HG2  ILE 651          HG23      ILE 651  76.433  -6.946   5.262
   31   1HD1  ILE 651          HD11      ILE 651  79.164  -6.037   5.214
   32   2HD1  ILE 651          HD12      ILE 651  79.189  -5.620   6.928
   33   3HD1  ILE 651          HD13      ILE 651  79.601  -4.404   5.719
   34    H    ILE 652           HN       ILE 652  75.062  -2.281   6.807
   35    HA   ILE 652           HA       ILE 652  73.175  -3.039   4.613
   36    HB   ILE 652           HB       ILE 652  72.446  -0.630   4.953
   37   1HG1  ILE 652          HG12      ILE 652  73.703  -0.502   7.599
   38   2HG1  ILE 652          HG11      ILE 652  74.875  -0.447   6.283
   39   1HG2  ILE 652          HG21      ILE 652  71.232  -1.111   7.001
   40   2HG2  ILE 652          HG22      ILE 652  72.406  -2.347   7.452
   41   3HG2  ILE 652          HG23      ILE 652  71.351  -2.598   6.061
   42   1HD1  ILE 652          HD11      ILE 652  74.333   1.801   6.435
   43   2HD1  ILE 652          HD12      ILE 652  72.676   1.474   6.944
   44   3HD1  ILE 652          HD13      ILE 652  73.136   1.273   5.253
   45    H    ARG 653           HN       ARG 653  74.044  -2.887   2.588
   46    HA   ARG 653           HA       ARG 653  76.284  -0.950   2.132
   47   1HB   ARG 653           HB2      ARG 653  76.857  -3.273   1.742
   48   2HB   ARG 653           HB1      ARG 653  75.406  -3.515   0.769
   49   1HG   ARG 653           HG2      ARG 653  76.730  -1.323  -0.400
   50   2HG   ARG 653           HG1      ARG 653  77.993  -2.501  -0.046
   51   1HD   ARG 653           HD2      ARG 653  75.520  -3.654  -1.202
   52   2HD   ARG 653           HD1      ARG 653  76.449  -2.606  -2.293
   53    HE   ARG 653           HE       ARG 653  78.294  -4.278  -0.925
   54   1HH1  ARG 653          HH21      ARG 653  75.472  -5.484  -2.160
   55   2HH1  ARG 653          HH22      ARG 653  76.192  -6.430  -3.419
   56   1HH2  ARG 653          HH11      ARG 653  79.351  -5.060  -3.005
   57   2HH2  ARG 653          HH12      ARG 653  78.389  -6.190  -3.897
   58    H    ILE 654           HN       ILE 654  76.147   0.439   0.273
   59    HA   ILE 654           HA       ILE 654  73.638   0.360  -1.328
   60    HB   ILE 654           HB       ILE 654  74.551   2.626   0.469
   61   1HG1  ILE 654          HG12      ILE 654  71.967   2.236   1.061
   62   2HG1  ILE 654          HG11      ILE 654  72.345   0.612   0.485
   63   1HG2  ILE 654          HG21      ILE 654  72.096   2.706  -1.270
   64   2HG2  ILE 654          HG22      ILE 654  73.657   3.201  -1.924
   65   3HG2  ILE 654          HG23      ILE 654  72.977   4.045  -0.533
   66   1HD1  ILE 654          HD11      ILE 654  72.976   1.769   3.018
   67   2HD1  ILE 654          HD12      ILE 654  74.491   1.477   2.165
   68   3HD1  ILE 654          HD13      ILE 654  73.361   0.150   2.436
   69    H    SER 655           HN       SER 655  74.451   0.429  -3.396
   70    HA   SER 655           HA       SER 655  76.648   2.402  -3.964
   71   1HB   SER 655           HB2      SER 655  77.600   0.772  -5.438
   72   2HB   SER 655           HB1      SER 655  77.178  -0.110  -3.974
   73    HG   SER 655           HG       SER 655  76.495  -0.970  -6.139
   74    H    VAL 656           HN       VAL 656  75.391   4.060  -4.863
   75    HA   VAL 656           HA       VAL 656  73.378   3.344  -6.945
   76    HB   VAL 656           HB       VAL 656  72.547   5.583  -6.527
   77   1HG1  VAL 656          HG11      VAL 656  72.758   5.435  -3.809
   78   2HG1  VAL 656          HG12      VAL 656  73.180   3.785  -4.263
   79   3HG1  VAL 656          HG13      VAL 656  71.633   4.467  -4.761
   80   1HG2  VAL 656          HG21      VAL 656  75.281   6.066  -5.885
   81   2HG2  VAL 656          HG22      VAL 656  74.325   6.471  -4.460
   82   3HG2  VAL 656          HG23      VAL 656  73.974   7.244  -6.006
   83    H    GLU 657           HN       GLU 657  75.817   2.892  -8.022
   84    HA   GLU 657           HA       GLU 657  76.086   5.096  -9.975
   85   1HB   GLU 657           HB2      GLU 657  78.063   4.365  -7.846
   86   2HB   GLU 657           HB1      GLU 657  78.684   4.870  -9.418
   87   1HG   GLU 657           HG2      GLU 657  76.793   6.437  -7.640
   88   2HG   GLU 657           HG1      GLU 657  78.478   6.828  -7.984
   89    H    ASP 658           HN       ASP 658  75.114   2.875 -10.893
   90    HA   ASP 658           HA       ASP 658  75.462   0.904 -12.174
   91   1HB   ASP 658           HB2      ASP 658  76.491   3.095 -13.300
   92   2HB   ASP 658           HB1      ASP 658  77.997   2.202 -13.091
   93    H    ASN 659           HN       ASN 659  78.285   0.201 -13.041
   94    HA   ASN 659           HA       ASN 659  79.991  -1.261 -12.309
   95   1HB   ASN 659           HB2      ASN 659  79.576   0.855 -10.341
   96   2HB   ASN 659           HB1      ASN 659  80.225  -0.608  -9.599
   97   1HD2  ASN 659          HD21      ASN 659  81.490   2.129 -10.436
   98   2HD2  ASN 659          HD22      ASN 659  82.883   1.664 -11.286
   99    H    ASN 660           HN       ASN 660  79.389  -3.391 -12.153
  100    HA   ASN 660           HA       ASN 660  77.290  -4.224 -10.244
  101   1HB   ASN 660           HB2      ASN 660  78.952  -5.865 -12.178
  102   2HB   ASN 660           HB1      ASN 660  77.378  -6.284 -11.501
  103   1HD2  ASN 660          HD21      ASN 660  78.954  -4.658 -14.113
  104   2HD2  ASN 660          HD22      ASN 660  77.566  -3.981 -14.815
  105    H    GLY 661           HN       GLY 661  80.355  -3.475  -9.704
  106   1HA   GLY 661           HA2      GLY 661  80.705  -5.666  -7.720
  107   2HA   GLY 661           HA1      GLY 661  82.045  -5.286  -8.803
  108    H    ASN 662           HN       ASN 662  81.961  -2.530  -8.895
  109    HA   ASN 662           HA       ASN 662  83.433  -1.622  -6.744
  110   1HB   ASN 662           HB2      ASN 662  81.981  -0.553  -8.950
  111   2HB   ASN 662           HB1      ASN 662  81.601   0.444  -7.545
  112   1HD2  ASN 662          HD21      ASN 662  82.992   2.219  -7.589
  113   2HD2  ASN 662          HD22      ASN 662  84.659   2.138  -7.896
  114    H    MET 663           HN       MET 663  82.960  -1.717  -4.582
  115    HA   MET 663           HA       MET 663  80.144  -1.706  -3.669
  116   1HB   MET 663           HB2      MET 663  81.284  -2.209  -1.479
  117   2HB   MET 663           HB1      MET 663  81.704  -3.341  -2.765
  118   1HG   MET 663           HG2      MET 663  83.860  -2.555  -2.946
  119   2HG   MET 663           HG1      MET 663  83.413  -0.915  -2.477
  120   1HE   MET 663           HE1      MET 663  86.085  -2.206   0.110
  121   2HE   MET 663           HE2      MET 663  85.648  -0.839  -0.912
  122   3HE   MET 663           HE3      MET 663  85.925  -2.420  -1.639
  123    H    TYR 664           HN       TYR 664  79.244  -0.032  -2.437
  124    HA   TYR 664           HA       TYR 664  80.869   2.479  -2.254
  125   1HB   TYR 664           HB2      TYR 664  78.179   1.766  -3.096
  126   2HB   TYR 664           HB1      TYR 664  78.142   3.014  -1.850
  127    HD1  TYR 664           HD1      TYR 664  79.436   5.136  -2.166
  128    HD2  TYR 664           HD2      TYR 664  78.983   2.234  -5.300
  129    HE1  TYR 664           HE1      TYR 664  80.115   6.835  -3.838
  130    HE2  TYR 664           HE2      TYR 664  79.663   3.933  -6.972
  131    HH   TYR 664           HH       TYR 664  81.236   6.292  -6.659
  132    H    LYS 665           HN       LYS 665  77.904   1.519  -0.545
  133    HA   LYS 665           HA       LYS 665  79.258   2.197   2.028
  134   1HB   LYS 665           HB2      LYS 665  76.610   2.529   0.816
  135   2HB   LYS 665           HB1      LYS 665  76.530   1.913   2.467
  136   1HG   LYS 665           HG2      LYS 665  77.946   4.423   1.531
  137   2HG   LYS 665           HG1      LYS 665  76.519   4.335   2.563
  138   1HD   LYS 665           HD2      LYS 665  77.959   4.388   4.306
  139   2HD   LYS 665           HD1      LYS 665  78.349   2.721   3.881
  140   1HE   LYS 665           HE2      LYS 665  80.406   3.297   3.096
  141   2HE   LYS 665           HE1      LYS 665  79.765   4.706   2.229
  142   1HZ   LYS 665           HZ1      LYS 665  81.187   5.338   4.123
  143   2HZ   LYS 665           HZ2      LYS 665  80.113   4.548   5.177
  144   3HZ   LYS 665           HZ3      LYS 665  79.597   5.904   4.292
  145    H    SER 666           HN       SER 666  78.502   0.859   3.930
  146    HA   SER 666           HA       SER 666  77.296  -1.698   3.741
  147   1HB   SER 666           HB2      SER 666  79.800  -1.523   2.447
  148   2HB   SER 666           HB1      SER 666  80.105  -2.395   3.946
  149    HG   SER 666           HG       SER 666  79.445  -3.786   2.248
  150    H    ILE 667           HN       ILE 667  77.289   0.312   5.659
  151    HA   ILE 667           HA       ILE 667  79.117  -0.510   7.849
  152    HB   ILE 667           HB       ILE 667  78.412   1.552   8.849
  153   1HG1  ILE 667          HG12      ILE 667  76.146   1.526   6.827
  154   2HG1  ILE 667          HG11      ILE 667  75.986   1.226   8.558
  155   1HG2  ILE 667          HG21      ILE 667  78.489   1.823   5.829
  156   2HG2  ILE 667          HG22      ILE 667  79.862   1.910   6.932
  157   3HG2  ILE 667          HG23      ILE 667  78.636   3.177   6.949
  158   1HD1  ILE 667          HD11      ILE 667  75.774   3.704   7.323
  159   2HD1  ILE 667          HD12      ILE 667  77.411   3.715   7.980
  160   3HD1  ILE 667          HD13      ILE 667  76.034   3.433   9.046
  161    H    MET 668           HN       MET 668  78.423  -1.780   9.538
  162    HA   MET 668           HA       MET 668  75.663  -2.818   9.499
  163   1HB   MET 668           HB2      MET 668  76.558  -4.403  11.093
  164   2HB   MET 668           HB1      MET 668  77.782  -4.167   9.845
  165   1HG   MET 668           HG2      MET 668  78.572  -2.230  11.498
  166   2HG   MET 668           HG1      MET 668  77.776  -3.256  12.691
  167   1HE   MET 668           HE1      MET 668  79.834  -2.974  13.683
  168   2HE   MET 668           HE2      MET 668  81.386  -3.704  13.280
  169   3HE   MET 668           HE3      MET 668  80.137  -4.678  14.051
  170    H    LEU 669           HN       LEU 669  75.208  -0.274  10.045
  171    HA   LEU 669           HA       LEU 669  75.576   0.921  12.513
  172   1HB   LEU 669           HB2      LEU 669  73.043   0.671  10.857
  173   2HB   LEU 669           HB1      LEU 669  73.299   1.889  12.107
  174    HG   LEU 669           HG       LEU 669  75.546   1.820  10.278
  175   1HD1  LEU 669          HD11      LEU 669  74.145   2.873   8.378
  176   2HD1  LEU 669          HD12      LEU 669  72.765   2.075   9.131
  177   3HD1  LEU 669          HD13      LEU 669  74.116   1.116   8.527
  178   1HD2  LEU 669          HD21      LEU 669  73.947   3.662  11.775
  179   2HD2  LEU 669          HD22      LEU 669  73.990   4.213  10.101
  180   3HD2  LEU 669          HD23      LEU 669  75.495   3.959  10.984
  181    H    THR 670           HN       THR 670  73.940   1.028  14.377
  182    HA   THR 670           HA       THR 670  73.756  -1.292  15.865
  183    HB   THR 670           HB       THR 670  71.924   1.104  15.623
  184    HG1  THR 670           HG1      THR 670  74.163   1.200  16.414
  185   1HG2  THR 670          HG21      THR 670  71.384  -1.371  16.962
  186   2HG2  THR 670          HG22      THR 670  70.420   0.106  16.959
  187   3HG2  THR 670          HG23      THR 670  71.674  -0.126  18.177
  188    H    SER 671           HN       SER 671  70.842  -0.021  14.216
  189    HA   SER 671           HA       SER 671  70.174  -2.283  12.669
  190   1HB   SER 671           HB2      SER 671  68.418  -3.072  14.588
  191   2HB   SER 671           HB1      SER 671  70.021  -3.779  14.402
  192    HG   SER 671           HG       SER 671  69.039  -2.427  16.461
  193    H    GLN 672           HN       GLN 672  69.666   0.287  12.114
  194    HA   GLN 672           HA       GLN 672  66.826   0.422  11.737
  195   1HB   GLN 672           HB2      GLN 672  67.703   1.047  14.319
  196   2HB   GLN 672           HB1      GLN 672  67.425   2.616  13.563
  197   1HG   GLN 672           HG2      GLN 672  65.215   1.314  12.712
  198   2HG   GLN 672           HG1      GLN 672  65.484   0.469  14.237
  199   1HE2  GLN 672          HE21      GLN 672  63.344   1.690  14.768
  200   2HE2  GLN 672          HE22      GLN 672  63.496   3.256  15.405
  201    H    ASP 673           HN       ASP 673  67.186   1.251   9.679
  202    HA   ASP 673           HA       ASP 673  67.589   4.006   9.221
  203   1HB   ASP 673           HB2      ASP 673  69.961   2.587   9.947
  204   2HB   ASP 673           HB1      ASP 673  70.107   3.028   8.246
  205    H    LYS 674           HN       LYS 674  67.121   4.412   7.025
  206    HA   LYS 674           HA       LYS 674  67.787   2.565   4.901
  207   1HB   LYS 674           HB2      LYS 674  66.141   1.209   6.093
  208   2HB   LYS 674           HB1      LYS 674  64.982   2.538   6.054
  209   1HG   LYS 674           HG2      LYS 674  64.630   0.761   4.284
  210   2HG   LYS 674           HG1      LYS 674  64.786   2.407   3.669
  211   1HD   LYS 674           HD2      LYS 674  67.197   1.987   3.222
  212   2HD   LYS 674           HD1      LYS 674  66.986   0.321   3.764
  213   1HE   LYS 674           HE2      LYS 674  66.489  -0.146   1.590
  214   2HE   LYS 674           HE1      LYS 674  64.938   0.660   1.900
  215   1HZ   LYS 674           HZ1      LYS 674  66.479   1.569   0.042
  216   2HZ   LYS 674           HZ2      LYS 674  67.340   2.266   1.331
  217   3HZ   LYS 674           HZ3      LYS 674  65.705   2.659   1.086
  218    H    THR 675           HN       THR 675  64.719   4.291   5.376
  219    HA   THR 675           HA       THR 675  64.323   5.516   2.968
  220    HB   THR 675           HB       THR 675  63.543   7.493   4.646
  221    HG1  THR 675           HG1      THR 675  63.648   6.905   6.669
  222   1HG2  THR 675          HG21      THR 675  62.499   4.997   3.679
  223   2HG2  THR 675          HG22      THR 675  61.657   6.521   3.945
  224   3HG2  THR 675          HG23      THR 675  61.831   5.364   5.266
  225    HA   PRO 676           HA       PRO 676  66.767   8.948   1.654
  226   1HB   PRO 676           HB2      PRO 676  65.523  10.855   3.555
  227   2HB   PRO 676           HB1      PRO 676  65.684  10.958   1.793
  228   1HG   PRO 676           HG2      PRO 676  63.425  10.089   3.295
  229   2HG   PRO 676           HG1      PRO 676  63.606  10.159   1.539
  230   1HD   PRO 676           HD2      PRO 676  63.319   7.833   2.982
  231   2HD   PRO 676           HD1      PRO 676  64.057   7.935   1.376
  232    H    ALA 677           HN       ALA 677  66.422   8.486   5.171
  233    HA   ALA 677           HA       ALA 677  68.656  10.034   6.033
  234   1HB   ALA 677           HB1      ALA 677  68.278   8.913   8.054
  235   2HB   ALA 677           HB2      ALA 677  67.911   7.388   7.249
  236   3HB   ALA 677           HB3      ALA 677  66.723   8.691   7.254
  237    H    VAL 678           HN       VAL 678  68.423   6.529   5.305
  238    HA   VAL 678           HA       VAL 678  71.281   6.108   5.425
  239    HB   VAL 678           HB       VAL 678  68.761   4.695   5.072
  240   1HG1  VAL 678          HG11      VAL 678  69.519   4.204   2.821
  241   2HG1  VAL 678          HG12      VAL 678  69.722   2.760   3.814
  242   3HG1  VAL 678          HG13      VAL 678  71.119   3.762   3.418
  243   1HG2  VAL 678          HG21      VAL 678  69.904   3.013   6.335
  244   2HG2  VAL 678          HG22      VAL 678  70.425   4.578   6.960
  245   3HG2  VAL 678          HG23      VAL 678  71.480   3.664   5.881
  246    H    ILE 679           HN       ILE 679  68.935   6.729   2.831
  247    HA   ILE 679           HA       ILE 679  70.534   6.159   0.568
  248    HB   ILE 679           HB       ILE 679  68.422   8.266   1.117
  249   1HG1  ILE 679          HG12      ILE 679  68.213   5.615  -0.338
  250   2HG1  ILE 679          HG11      ILE 679  67.855   5.802   1.379
  251   1HG2  ILE 679          HG21      ILE 679  70.122   8.305  -1.026
  252   2HG2  ILE 679          HG22      ILE 679  68.468   8.914  -1.066
  253   3HG2  ILE 679          HG23      ILE 679  68.822   7.285  -1.641
  254   1HD1  ILE 679          HD11      ILE 679  65.910   6.011  -0.377
  255   2HD1  ILE 679          HD12      ILE 679  66.551   7.638  -0.608
  256   3HD1  ILE 679          HD13      ILE 679  65.980   7.133   0.982
  257    H    GLN 680           HN       GLN 680  70.593   8.900   2.775
  258    HA   GLN 680           HA       GLN 680  72.328  10.524   1.049
  259   1HB   GLN 680           HB2      GLN 680  70.599  11.405   2.640
  260   2HB   GLN 680           HB1      GLN 680  71.573  10.793   3.977
  261   1HG   GLN 680           HG2      GLN 680  73.466  12.205   3.236
  262   2HG   GLN 680           HG1      GLN 680  72.471  12.837   1.924
  263   1HE2  GLN 680          HE21      GLN 680  71.107  14.592   2.411
  264   2HE2  GLN 680          HE22      GLN 680  70.830  15.178   3.980
  265    H    ARG 681           HN       ARG 681  72.673   8.394   3.864
  266    HA   ARG 681           HA       ARG 681  75.360   9.023   4.572
  267   1HB   ARG 681           HB2      ARG 681  73.915   6.356   4.688
  268   2HB   ARG 681           HB1      ARG 681  75.254   6.869   5.716
  269   1HG   ARG 681           HG2      ARG 681  73.469   8.929   6.058
  270   2HG   ARG 681           HG1      ARG 681  72.392   7.541   5.892
  271   1HD   ARG 681           HD2      ARG 681  72.889   6.888   8.000
  272   2HD   ARG 681           HD1      ARG 681  74.613   6.813   7.585
  273    HE   ARG 681           HE       ARG 681  73.718   9.552   7.899
  274   1HH1  ARG 681          HH21      ARG 681  75.734   7.146   9.068
  275   2HH1  ARG 681          HH22      ARG 681  75.849   7.775  10.678
  276   1HH2  ARG 681          HH11      ARG 681  73.403  10.185  10.197
  277   2HH2  ARG 681          HH12      ARG 681  74.529   9.495  11.317
  278    H    ALA 682           HN       ALA 682  74.047   6.858   2.078
  279    HA   ALA 682           HA       ALA 682  76.749   5.868   1.394
  280   1HB   ALA 682           HB1      ALA 682  75.584   4.199   0.328
  281   2HB   ALA 682           HB2      ALA 682  74.370   5.313  -0.301
  282   3HB   ALA 682           HB3      ALA 682  74.280   4.762   1.372
  283    H    MET 683           HN       MET 683  74.282   8.047   0.064
  284    HA   MET 683           HA       MET 683  75.880   8.498  -2.380
  285   1HB   MET 683           HB2      MET 683  73.284   9.683  -1.345
  286   2HB   MET 683           HB1      MET 683  73.922   9.894  -2.977
  287   1HG   MET 683           HG2      MET 683  74.003   7.154  -2.661
  288   2HG   MET 683           HG1      MET 683  72.527   7.591  -1.802
  289   1HE   MET 683           HE1      MET 683  70.340   8.050  -2.883
  290   2HE   MET 683           HE2      MET 683  70.211   9.128  -4.270
  291   3HE   MET 683           HE3      MET 683  71.078   9.657  -2.830
  292    H    SER 684           HN       SER 684  74.308  10.871  -0.207
  293    HA   SER 684           HA       SER 684  75.882  13.086  -0.755
  294   1HB   SER 684           HB2      SER 684  74.112  12.157   1.294
  295   2HB   SER 684           HB1      SER 684  75.481  12.936   2.081
  296    HG   SER 684           HG       SER 684  74.418  14.688   1.576
  297    H    LYS 685           HN       LYS 685  76.750  10.275   1.200
  298    HA   LYS 685           HA       LYS 685  79.106  11.325   2.427
  299   1HB   LYS 685           HB2      LYS 685  78.125   9.267   3.184
  300   2HB   LYS 685           HB1      LYS 685  78.207   8.567   1.567
  301   1HG   LYS 685           HG2      LYS 685  80.046   7.585   2.644
  302   2HG   LYS 685           HG1      LYS 685  80.782   8.946   1.799
  303   1HD   LYS 685           HD2      LYS 685  81.635   9.474   3.838
  304   2HD   LYS 685           HD1      LYS 685  80.023  10.117   4.158
  305   1HE   LYS 685           HE2      LYS 685  79.335   7.930   5.099
  306   2HE   LYS 685           HE1      LYS 685  80.969   7.301   4.804
  307   1HZ   LYS 685           HZ1      LYS 685  80.252   9.640   6.493
  308   2HZ   LYS 685           HZ2      LYS 685  81.842   9.173   6.118
  309   3HZ   LYS 685           HZ3      LYS 685  80.849   8.150   7.041
  310    H    HIS 686           HN       HIS 686  79.434   8.771   0.007
  311    HA   HIS 686           HA       HIS 686  81.945   9.566  -0.909
  312   1HB   HIS 686           HB2      HIS 686  79.841   7.774  -1.660
  313   2HB   HIS 686           HB1      HIS 686  80.394   8.588  -3.122
  314    HD1  HIS 686           HD1      HIS 686  81.132   5.694  -1.235
  315    HD2  HIS 686           HD2      HIS 686  83.491   8.609  -3.059
  316    HE1  HIS 686           HE1      HIS 686  83.429   4.671  -1.530
  317    H    ASN 687           HN       ASN 687  79.298   9.987  -3.219
  318    HA   ASN 687           HA       ASN 687  78.856  12.692  -3.332
  319   1HB   ASN 687           HB2      ASN 687  80.715  13.350  -5.052
  320   2HB   ASN 687           HB1      ASN 687  81.133  13.292  -3.344
  321   1HD2  ASN 687          HD21      ASN 687  81.291  11.358  -6.366
  322   2HD2  ASN 687          HD22      ASN 687  82.624  10.425  -5.885
  323    H    LEU 688           HN       LEU 688  77.326  10.649  -4.318
  324    HA   LEU 688           HA       LEU 688  77.559  10.995  -7.275
  325   1HB   LEU 688           HB2      LEU 688  76.525   8.659  -7.347
  326   2HB   LEU 688           HB1      LEU 688  78.195   8.753  -6.819
  327    HG   LEU 688           HG       LEU 688  76.665   7.229  -5.469
  328   1HD1  LEU 688          HD11      LEU 688  77.568   9.034  -3.403
  329   2HD1  LEU 688          HD12      LEU 688  78.767   8.913  -4.690
  330   3HD1  LEU 688          HD13      LEU 688  78.208   7.457  -3.866
  331   1HD2  LEU 688          HD21      LEU 688  75.690   9.774  -4.180
  332   2HD2  LEU 688          HD22      LEU 688  75.069   8.134  -3.993
  333   3HD2  LEU 688          HD23      LEU 688  74.793   9.013  -5.494
  334    H    GLU 689           HN       GLU 689  75.166   9.783  -7.964
  335    HA   GLU 689           HA       GLU 689  73.240  11.723  -7.970
  336   1HB   GLU 689           HB2      GLU 689  73.469   8.927  -8.384
  337   2HB   GLU 689           HB1      GLU 689  71.971   9.210  -7.506
  338   1HG   GLU 689           HG2      GLU 689  71.400   9.406  -9.817
  339   2HG   GLU 689           HG1      GLU 689  71.482  11.057  -9.204
  340    H    SER 690           HN       SER 690  71.168  11.909  -6.716
  341    HA   SER 690           HA       SER 690  71.488  11.183  -3.825
  342   1HB   SER 690           HB2      SER 690  70.820  13.427  -3.247
  343   2HB   SER 690           HB1      SER 690  72.094  13.570  -4.456
  344    HG   SER 690           HG       SER 690  70.574  14.817  -5.307
  345    H    ASP 691           HN       ASP 691  69.530  10.689  -2.764
  346    HA   ASP 691           HA       ASP 691  67.354   9.823  -2.595
  347   1HB   ASP 691           HB2      ASP 691  66.007  11.515  -4.459
  348   2HB   ASP 691           HB1      ASP 691  66.014  11.616  -2.705
  349    HA   PRO 692           HA       PRO 692  67.023   7.279  -6.207
  350   1HB   PRO 692           HB2      PRO 692  65.659   5.261  -4.948
  351   2HB   PRO 692           HB1      PRO 692  67.410   5.476  -4.810
  352   1HG   PRO 692           HG2      PRO 692  65.340   5.950  -2.835
  353   2HG   PRO 692           HG1      PRO 692  67.079   5.787  -2.619
  354   1HD   PRO 692           HD2      PRO 692  65.510   8.193  -2.656
  355   2HD   PRO 692           HD1      PRO 692  67.251   8.006  -2.366
  356    H    ALA 693           HN       ALA 693  65.123   9.422  -5.622
  357    HA   ALA 693           HA       ALA 693  62.416   8.682  -5.681
  358   1HB   ALA 693           HB1      ALA 693  63.320  10.931  -5.363
  359   2HB   ALA 693           HB2      ALA 693  62.197  10.934  -6.724
  360   3HB   ALA 693           HB3      ALA 693  63.937  10.934  -7.014
  361    H    GLU 694           HN       GLU 694  63.163  10.283  -8.636
  362    HA   GLU 694           HA       GLU 694  62.263   7.871 -10.160
  363   1HB   GLU 694           HB2      GLU 694  62.105  10.863 -10.595
  364   2HB   GLU 694           HB1      GLU 694  61.684   9.702 -11.855
  365   1HG   GLU 694           HG2      GLU 694  60.107   8.633 -10.153
  366   2HG   GLU 694           HG1      GLU 694  60.370  10.064  -9.156
  367    H    GLU 695           HN       GLU 695  64.634  10.539 -10.188
  368    HA   GLU 695           HA       GLU 695  66.025  10.214 -12.542
  369   1HB   GLU 695           HB2      GLU 695  66.468  11.551 -10.298
  370   2HB   GLU 695           HB1      GLU 695  67.548  10.198  -9.955
  371   1HG   GLU 695           HG2      GLU 695  69.074  11.366 -11.152
  372   2HG   GLU 695           HG1      GLU 695  68.188  10.777 -12.559
  373    H    TYR 696           HN       TYR 696  66.368   8.176  -9.651
  374    HA   TYR 696           HA       TYR 696  67.297   5.950 -11.367
  375   1HB   TYR 696           HB2      TYR 696  69.421   5.875 -10.402
  376   2HB   TYR 696           HB1      TYR 696  69.127   7.610 -10.439
  377    HD1  TYR 696           HD1      TYR 696  69.099   8.877  -8.450
  378    HD2  TYR 696           HD2      TYR 696  68.847   4.595  -8.258
  379    HE1  TYR 696           HE1      TYR 696  69.368   8.973  -5.989
  380    HE2  TYR 696           HE2      TYR 696  69.113   4.691  -5.800
  381    HH   TYR 696           HH       TYR 696  69.756   6.042  -4.071
  382    H    GLU 697           HN       GLU 697  67.094   3.872 -10.252
  383    HA   GLU 697           HA       GLU 697  65.404   4.032  -7.774
  384   1HB   GLU 697           HB2      GLU 697  65.252   2.428 -10.311
  385   2HB   GLU 697           HB1      GLU 697  64.538   1.785  -8.832
  386   1HG   GLU 697           HG2      GLU 697  63.090   3.689  -8.603
  387   2HG   GLU 697           HG1      GLU 697  63.936   4.559  -9.884
  388    H    LEU 698           HN       LEU 698  65.580   2.131  -6.353
  389    HA   LEU 698           HA       LEU 698  68.223   0.730  -6.594
  390   1HB   LEU 698           HB2      LEU 698  68.347   0.919  -4.150
  391   2HB   LEU 698           HB1      LEU 698  68.094   2.518  -4.850
  392    HG   LEU 698           HG       LEU 698  65.646   0.970  -4.177
  393   1HD1  LEU 698          HD11      LEU 698  65.816   1.127  -1.871
  394   2HD1  LEU 698          HD12      LEU 698  66.983   2.447  -1.943
  395   3HD1  LEU 698          HD13      LEU 698  67.499   0.795  -2.279
  396   1HD2  LEU 698          HD21      LEU 698  64.736   3.093  -3.913
  397   2HD2  LEU 698          HD22      LEU 698  66.012   3.433  -5.082
  398   3HD2  LEU 698          HD23      LEU 698  66.263   3.792  -3.374
  399    H    VAL 699           HN       VAL 699  68.117  -1.267  -4.954
  400    HA   VAL 699           HA       VAL 699  65.451  -2.504  -4.770
  401    HB   VAL 699           HB       VAL 699  67.627  -3.402  -6.677
  402   1HG1  VAL 699          HG11      VAL 699  65.333  -4.928  -5.459
  403   2HG1  VAL 699          HG12      VAL 699  67.003  -5.444  -5.692
  404   3HG1  VAL 699          HG13      VAL 699  65.916  -5.327  -7.075
  405   1HG2  VAL 699          HG21      VAL 699  64.743  -2.537  -6.916
  406   2HG2  VAL 699          HG22      VAL 699  65.527  -3.473  -8.189
  407   3HG2  VAL 699          HG23      VAL 699  66.154  -1.885  -7.748
  408    H    GLN 700           HN       GLN 700  65.642  -3.200  -2.656
  409    HA   GLN 700           HA       GLN 700  68.208  -4.100  -1.554
  410   1HB   GLN 700           HB2      GLN 700  65.356  -3.929  -0.540
  411   2HB   GLN 700           HB1      GLN 700  66.703  -4.467   0.463
  412   1HG   GLN 700           HG2      GLN 700  66.867  -2.247   0.972
  413   2HG   GLN 700           HG1      GLN 700  67.747  -2.175  -0.555
  414   1HE2  GLN 700          HE21      GLN 700  64.883  -1.113   1.090
  415   2HE2  GLN 700          HE22      GLN 700  64.159  -0.333  -0.232
  416    H    VAL 701           HN       VAL 701  68.891  -6.126  -2.180
  417    HA   VAL 701           HA       VAL 701  66.971  -8.257  -2.832
  418    HB   VAL 701           HB       VAL 701  69.980  -7.948  -2.774
  419   1HG1  VAL 701          HG11      VAL 701  68.340 -10.399  -3.486
  420   2HG1  VAL 701          HG12      VAL 701  69.497 -10.262  -2.162
  421   3HG1  VAL 701          HG13      VAL 701  70.059 -10.209  -3.833
  422   1HG2  VAL 701          HG21      VAL 701  67.803  -7.783  -4.771
  423   2HG2  VAL 701          HG22      VAL 701  69.227  -8.679  -5.298
  424   3HG2  VAL 701          HG23      VAL 701  69.386  -7.005  -4.766
  425    H    ILE 702           HN       ILE 702  66.273  -9.766  -1.372
  426    HA   ILE 702           HA       ILE 702  67.801 -10.060   1.196
  427    HB   ILE 702           HB       ILE 702  64.861  -9.971   0.510
  428   1HG1  ILE 702          HG12      ILE 702  65.980  -7.854   1.053
  429   2HG1  ILE 702          HG11      ILE 702  64.871  -8.300   2.351
  430   1HG2  ILE 702          HG21      ILE 702  64.494 -11.589   2.043
  431   2HG2  ILE 702          HG22      ILE 702  65.043 -10.429   3.253
  432   3HG2  ILE 702          HG23      ILE 702  66.181 -11.583   2.557
  433   1HD1  ILE 702          HD11      ILE 702  66.607  -8.114   3.776
  434   2HD1  ILE 702          HD12      ILE 702  67.754  -7.952   2.445
  435   3HD1  ILE 702          HD13      ILE 702  67.287  -9.554   3.017
  436    H    SER 703           HN       SER 703  65.033 -11.976   0.212
  437    HA   SER 703           HA       SER 703  66.447 -14.194  -0.957
  438   1HB   SER 703           HB2      SER 703  67.116 -13.894   1.626
  439   2HB   SER 703           HB1      SER 703  65.637 -14.822   1.850
  440    HG   SER 703           HG       SER 703  67.535 -16.127   1.595
  441    H    GLU 704           HN       GLU 704  64.984 -16.021  -1.317
  442    HA   GLU 704           HA       GLU 704  62.857 -16.933  -1.787
  443   1HB   GLU 704           HB2      GLU 704  62.328 -15.415   0.788
  444   2HB   GLU 704           HB1      GLU 704  61.248 -16.633   0.108
  445   1HG   GLU 704           HG2      GLU 704  63.774 -17.848   0.120
  446   2HG   GLU 704           HG1      GLU 704  63.675 -16.999   1.663
  447    H    ASP 705           HN       ASP 705  61.268 -14.254  -0.216
  448    HA   ASP 705           HA       ASP 705  60.852 -12.859  -2.806
  449   1HB   ASP 705           HB2      ASP 705  58.952 -14.579  -1.332
  450   2HB   ASP 705           HB1      ASP 705  58.293 -13.022  -1.838
  451    H    LYS 706           HN       LYS 706  62.165 -11.278  -1.445
  452    HA   LYS 706           HA       LYS 706  60.334  -9.468  -0.006
  453   1HB   LYS 706           HB2      LYS 706  61.592 -11.397   1.416
  454   2HB   LYS 706           HB1      LYS 706  62.839 -10.149   1.444
  455   1HG   LYS 706           HG2      LYS 706  60.968  -8.531   2.150
  456   2HG   LYS 706           HG1      LYS 706  60.001  -9.973   2.465
  457   1HD   LYS 706           HD2      LYS 706  62.607 -10.333   3.617
  458   2HD   LYS 706           HD1      LYS 706  61.951  -8.788   4.159
  459   1HE   LYS 706           HE2      LYS 706  60.541  -9.859   5.568
  460   2HE   LYS 706           HE1      LYS 706  59.864 -10.787   4.215
  461   1HZ   LYS 706           HZ1      LYS 706  62.549 -11.476   5.157
  462   2HZ   LYS 706           HZ2      LYS 706  61.347 -12.476   4.492
  463   3HZ   LYS 706           HZ3      LYS 706  61.234 -11.967   6.109
  464    H    GLU 707           HN       GLU 707  61.053  -8.305  -2.064
  465    HA   GLU 707           HA       GLU 707  63.766  -7.072  -1.711
  466   1HB   GLU 707           HB2      GLU 707  63.435  -6.663  -4.237
  467   2HB   GLU 707           HB1      GLU 707  63.701  -8.332  -3.731
  468   1HG   GLU 707           HG2      GLU 707  61.374  -8.853  -3.899
  469   2HG   GLU 707           HG1      GLU 707  60.934  -7.151  -4.052
  470    H    LEU 708           HN       LEU 708  63.852  -4.821  -1.637
  471    HA   LEU 708           HA       LEU 708  61.222  -3.384  -1.737
  472   1HB   LEU 708           HB2      LEU 708  63.853  -2.838  -0.326
  473   2HB   LEU 708           HB1      LEU 708  62.471  -1.743  -0.284
  474    HG   LEU 708           HG       LEU 708  62.148  -4.638   0.481
  475   1HD1  LEU 708          HD11      LEU 708  63.849  -4.059   1.994
  476   2HD1  LEU 708          HD12      LEU 708  62.384  -3.655   2.889
  477   3HD1  LEU 708          HD13      LEU 708  63.314  -2.382   2.099
  478   1HD2  LEU 708          HD21      LEU 708  60.407  -3.435   1.988
  479   2HD2  LEU 708          HD22      LEU 708  60.070  -3.535   0.260
  480   3HD2  LEU 708          HD23      LEU 708  60.692  -2.037   0.951
  481    H    VAL 709           HN       VAL 709  61.347  -1.121  -2.605
  482    HA   VAL 709           HA       VAL 709  63.646  -0.541  -4.393
  483    HB   VAL 709           HB       VAL 709  60.821  -0.620  -5.471
  484   1HG1  VAL 709          HG11      VAL 709  61.887  -0.576  -7.601
  485   2HG1  VAL 709          HG12      VAL 709  63.456  -0.984  -6.908
  486   3HG1  VAL 709          HG13      VAL 709  62.755   0.608  -6.625
  487   1HG2  VAL 709          HG21      VAL 709  62.882  -2.850  -5.455
  488   2HG2  VAL 709          HG22      VAL 709  61.412  -2.853  -6.430
  489   3HG2  VAL 709          HG23      VAL 709  61.303  -2.880  -4.670
  490    H    ILE 710           HN       ILE 710  63.474   1.687  -5.294
  491    HA   ILE 710           HA       ILE 710  63.053   4.002  -5.035
  492    HB   ILE 710           HB       ILE 710  60.430   2.678  -4.319
  493   1HG1  ILE 710          HG12      ILE 710  59.852   3.896  -6.533
  494   2HG1  ILE 710          HG11      ILE 710  61.596   4.080  -6.718
  495   1HG2  ILE 710          HG21      ILE 710  60.620   5.616  -4.892
  496   2HG2  ILE 710          HG22      ILE 710  60.853   5.039  -3.243
  497   3HG2  ILE 710          HG23      ILE 710  59.337   4.721  -4.081
  498   1HD1  ILE 710          HD11      ILE 710  60.011   1.793  -7.316
  499   2HD1  ILE 710          HD12      ILE 710  61.040   1.375  -5.947
  500   3HD1  ILE 710          HD13      ILE 710  61.762   1.961  -7.446
  501    HA   PRO 711           HA       PRO 711  64.134   4.923  -0.887
  502   1HB   PRO 711           HB2      PRO 711  63.246   7.543  -0.761
  503   2HB   PRO 711           HB1      PRO 711  64.766   7.039  -1.514
  504   1HG   PRO 711           HG2      PRO 711  62.135   7.643  -2.769
  505   2HG   PRO 711           HG1      PRO 711  63.767   8.044  -3.327
  506   1HD   PRO 711           HD2      PRO 711  62.361   6.035  -4.398
  507   2HD   PRO 711           HD1      PRO 711  64.122   5.947  -4.211
  508    H    ASP 712           HN       ASP 712  62.789   6.702   0.823
  509    HA   ASP 712           HA       ASP 712  60.936   6.892   2.265
  510   1HB   ASP 712           HB2      ASP 712  59.950   6.343  -0.401
  511   2HB   ASP 712           HB1      ASP 712  58.906   5.584   0.801
  512    H    SER 713           HN       SER 713  62.398   4.093   1.447
  513    HA   SER 713           HA       SER 713  60.583   2.156   2.572
  514   1HB   SER 713           HB2      SER 713  63.101   2.257   1.277
  515   2HB   SER 713           HB1      SER 713  63.390   1.496   2.837
  516    HG   SER 713           HG       SER 713  61.284   0.331   2.131
  517    H    ALA 714           HN       ALA 714  59.915   2.560   4.652
  518    HA   ALA 714           HA       ALA 714  61.623   3.917   6.583
  519   1HB   ALA 714           HB1      ALA 714  59.634   3.934   7.871
  520   2HB   ALA 714           HB2      ALA 714  59.000   2.507   7.050
  521   3HB   ALA 714           HB3      ALA 714  59.097   4.047   6.196
  522    H    ASN 715           HN       ASN 715  63.189   1.815   6.136
  523    HA   ASN 715           HA       ASN 715  64.339   0.123   7.313
  524   1HB   ASN 715           HB2      ASN 715  62.714   1.566   9.191
  525   2HB   ASN 715           HB1      ASN 715  62.671  -0.145   9.612
  526   1HD2  ASN 715          HD21      ASN 715  64.160   2.260  10.848
  527   2HD2  ASN 715          HD22      ASN 715  65.769   1.733  10.949
  528    H    VAL 716           HN       VAL 716  61.643  -0.174   5.749
  529    HA   VAL 716           HA       VAL 716  60.010  -2.237   6.542
  530    HB   VAL 716           HB       VAL 716  60.181  -2.887   4.046
  531   1HG1  VAL 716          HG11      VAL 716  58.458  -1.418   4.249
  532   2HG1  VAL 716          HG12      VAL 716  59.589  -0.269   3.536
  533   3HG1  VAL 716          HG13      VAL 716  59.386  -0.336   5.287
  534   1HG2  VAL 716          HG21      VAL 716  61.889  -0.413   3.877
  535   2HG2  VAL 716          HG22      VAL 716  61.588  -1.625   2.633
  536   3HG2  VAL 716          HG23      VAL 716  62.621  -2.012   4.009
  537    H    PHE 717           HN       PHE 717  61.113  -3.688   7.961
  538    HA   PHE 717           HA       PHE 717  62.088  -6.104   6.892
  539   1HB   PHE 717           HB2      PHE 717  64.215  -5.611   6.285
  540   2HB   PHE 717           HB1      PHE 717  63.927  -3.928   6.697
  541    HD1  PHE 717           HD1      PHE 717  64.587  -7.179   8.473
  542    HD2  PHE 717           HD2      PHE 717  65.373  -2.963   8.235
  543    HE1  PHE 717           HE1      PHE 717  66.168  -7.366  10.375
  544    HE2  PHE 717           HE2      PHE 717  66.954  -3.150  10.135
  545    HZ   PHE 717           HZ       PHE 717  67.350  -5.350  11.205
  546    H    TYR 718           HN       TYR 718  63.229  -3.964   9.544
  547    HA   TYR 718           HA       TYR 718  63.099  -6.083  11.529
  548   1HB   TYR 718           HB2      TYR 718  64.304  -3.620  11.238
  549   2HB   TYR 718           HB1      TYR 718  63.036  -3.269  12.412
  550    HD1  TYR 718           HD1      TYR 718  62.796  -5.797  13.881
  551    HD2  TYR 718           HD2      TYR 718  66.304  -3.759  12.471
  552    HE1  TYR 718           HE1      TYR 718  64.140  -6.881  15.661
  553    HE2  TYR 718           HE2      TYR 718  67.649  -4.843  14.251
  554    HH   TYR 718           HH       TYR 718  66.208  -6.538  16.867
  555    H    ALA 719           HN       ALA 719  60.810  -3.976  10.104
  556    HA   ALA 719           HA       ALA 719  58.958  -3.286  12.036
  557   1HB   ALA 719           HB1      ALA 719  58.696  -4.434   9.252
  558   2HB   ALA 719           HB2      ALA 719  58.581  -2.746   9.750
  559   3HB   ALA 719           HB3      ALA 719  57.286  -3.875  10.152
  560    H    MET 720           HN       MET 720  59.291  -6.507  10.507
  561    HA   MET 720           HA       MET 720  57.679  -7.615  12.787
  562   1HB   MET 720           HB2      MET 720  57.721  -8.586   9.918
  563   2HB   MET 720           HB1      MET 720  56.600  -9.069  11.191
  564   1HG   MET 720           HG2      MET 720  55.611  -6.872  11.258
  565   2HG   MET 720           HG1      MET 720  56.855  -6.222  10.190
  566   1HE   MET 720           HE1      MET 720  53.029  -8.009   9.712
  567   2HE   MET 720           HE2      MET 720  53.180  -6.377   9.065
  568   3HE   MET 720           HE3      MET 720  53.784  -6.736  10.681
  569    H    ASN 721           HN       ASN 721  60.590  -7.838  10.910
  570    HA   ASN 721           HA       ASN 721  61.722  -9.838  12.657
  571   1HB   ASN 721           HB2      ASN 721  61.551 -11.776  11.294
  572   2HB   ASN 721           HB1      ASN 721  59.946 -11.051  11.236
  573   1HD2  ASN 721          HD21      ASN 721  61.069  -8.829   9.402
  574   2HD2  ASN 721          HD22      ASN 721  61.173  -9.572   7.882
  575    H    SER 722           HN       SER 722  63.371 -11.085  10.603
  576    HA   SER 722           HA       SER 722  64.852  -8.785   9.404
  577   1HB   SER 722           HB2      SER 722  66.739  -9.191  10.674
  578   2HB   SER 722           HB1      SER 722  65.534  -9.769  11.821
  579    HG   SER 722           HG       SER 722  66.689 -11.537  11.670
  580    H    GLN 723           HN       GLN 723  67.035 -10.227   8.433
  581    HA   GLN 723           HA       GLN 723  66.442 -12.785   7.304
  582   1HB   GLN 723           HB2      GLN 723  65.879 -11.933   4.974
  583   2HB   GLN 723           HB1      GLN 723  64.623 -11.676   6.184
  584   1HG   GLN 723           HG2      GLN 723  66.037  -9.385   6.495
  585   2HG   GLN 723           HG1      GLN 723  66.336  -9.697   4.786
  586   1HE2  GLN 723          HE21      GLN 723  63.478 -10.006   6.986
  587   2HE2  GLN 723          HE22      GLN 723  62.402  -9.233   5.925
  588    H    VAL 724           HN       VAL 724  68.609 -13.300   7.358
  589    HA   VAL 724           HA       VAL 724  70.952 -13.105   6.973
  590    HB   VAL 724           HB       VAL 724  71.328 -13.179   4.593
  591   1HG1  VAL 724          HG11      VAL 724  69.426 -14.650   3.860
  592   2HG1  VAL 724          HG12      VAL 724  68.569 -14.195   5.332
  593   3HG1  VAL 724          HG13      VAL 724  70.088 -15.085   5.435
  594   1HG2  VAL 724          HG21      VAL 724  70.029 -11.013   4.197
  595   2HG2  VAL 724          HG22      VAL 724  68.568 -12.001   4.191
  596   3HG2  VAL 724          HG23      VAL 724  69.817 -12.266   2.975
  597    H    ASN 725           HN       ASN 725  72.366 -11.509   5.188
  598    HA   ASN 725           HA       ASN 725  72.518  -8.998   6.666
  599   1HB   ASN 725           HB2      ASN 725  74.528  -8.733   5.420
  600   2HB   ASN 725           HB1      ASN 725  74.384 -10.470   5.671
  601   1HD2  ASN 725          HD21      ASN 725  74.206 -11.799   3.817
  602   2HD2  ASN 725          HD22      ASN 725  74.105 -11.198   2.232
  603    H    PHE 726           HN       PHE 726  72.648  -6.884   5.355
  604    HA   PHE 726           HA       PHE 726  70.387  -6.833   3.392
  605   1HB   PHE 726           HB2      PHE 726  71.398  -5.080   5.581
  606   2HB   PHE 726           HB1      PHE 726  70.660  -4.280   4.194
  607    HD1  PHE 726           HD1      PHE 726  68.824  -3.521   5.752
  608    HD2  PHE 726           HD2      PHE 726  69.566  -7.666   4.915
  609    HE1  PHE 726           HE1      PHE 726  66.572  -4.101   6.610
  610    HE2  PHE 726           HE2      PHE 726  67.319  -8.244   5.773
  611    HZ   PHE 726           HZ       PHE 726  65.821  -6.466   6.620
  612    H    ASP 727           HN       ASP 727  70.896  -6.324   1.317
  613    HA   ASP 727           HA       ASP 727  73.345  -4.687   0.781
  614   1HB   ASP 727           HB2      ASP 727  73.896  -6.254  -1.028
  615   2HB   ASP 727           HB1      ASP 727  73.750  -7.138   0.492
  616    H    PHE 728           HN       PHE 728  72.538  -2.856  -0.196
  617    HA   PHE 728           HA       PHE 728  70.177  -3.151  -2.016
  618   1HB   PHE 728           HB2      PHE 728  71.259  -0.644  -0.712
  619   2HB   PHE 728           HB1      PHE 728  69.651  -0.899  -1.389
  620    HD1  PHE 728           HD1      PHE 728  70.354   0.017   1.481
  621    HD2  PHE 728           HD2      PHE 728  69.502  -3.830  -0.229
  622    HE1  PHE 728           HE1      PHE 728  69.551  -0.786   3.685
  623    HE2  PHE 728           HE2      PHE 728  68.699  -4.632   1.975
  624    HZ   PHE 728           HZ       PHE 728  68.724  -3.110   3.931
  625    H    ILE 729           HN       ILE 729  70.589  -2.905  -4.158
  626    HA   ILE 729           HA       ILE 729  73.080  -1.452  -4.982
  627    HB   ILE 729           HB       ILE 729  71.413  -3.608  -6.318
  628   1HG1  ILE 729          HG12      ILE 729  72.843  -4.279  -4.349
  629   2HG1  ILE 729          HG11      ILE 729  73.296  -5.060  -5.865
  630   1HG2  ILE 729          HG21      ILE 729  73.958  -2.219  -7.206
  631   2HG2  ILE 729          HG22      ILE 729  72.385  -2.130  -7.999
  632   3HG2  ILE 729          HG23      ILE 729  73.277  -3.651  -7.980
  633   1HD1  ILE 729          HD11      ILE 729  74.638  -2.656  -4.596
  634   2HD1  ILE 729          HD12      ILE 729  75.031  -3.282  -6.198
  635   3HD1  ILE 729          HD13      ILE 729  75.317  -4.274  -4.769
  636    H    LEU 730           HN       LEU 730  72.676   0.523  -5.908
  637    HA   LEU 730           HA       LEU 730  69.985   0.959  -7.164
  638   1HB   LEU 730           HB2      LEU 730  71.761   3.132  -6.068
  639   2HB   LEU 730           HB1      LEU 730  70.007   3.118  -6.231
  640    HG   LEU 730           HG       LEU 730  70.145   1.120  -4.528
  641   1HD1  LEU 730          HD11      LEU 730  72.194   0.667  -3.723
  642   2HD1  LEU 730          HD12      LEU 730  72.296   2.309  -3.089
  643   3HD1  LEU 730          HD13      LEU 730  72.878   1.954  -4.715
  644   1HD2  LEU 730          HD21      LEU 730  69.893   3.974  -4.274
  645   2HD2  LEU 730          HD22      LEU 730  70.714   3.343  -2.849
  646   3HD2  LEU 730          HD23      LEU 730  69.130   2.717  -3.302
  647    H    ARG 731           HN       ARG 731  69.965   2.331  -9.075
  648    HA   ARG 731           HA       ARG 731  72.557   3.022 -10.308
  649   1HB   ARG 731           HB2      ARG 731  71.787   1.690 -12.375
  650   2HB   ARG 731           HB1      ARG 731  72.404   0.769 -11.002
  651   1HG   ARG 731           HG2      ARG 731  70.365  -0.100 -10.497
  652   2HG   ARG 731           HG1      ARG 731  69.515   1.382 -10.933
  653   1HD   ARG 731           HD2      ARG 731  69.583   0.858 -13.266
  654   2HD   ARG 731           HD1      ARG 731  70.760  -0.445 -13.006
  655    HE   ARG 731           HE       ARG 731  68.099  -0.626 -11.674
  656   1HH1  ARG 731          HH11      ARG 731  68.110  -1.312 -14.635
  657   2HH1  ARG 731          HH12      ARG 731  68.368  -3.024 -14.586
  658   1HH2  ARG 731          HH21      ARG 731  69.445  -3.034 -11.290
  659   2HH2  ARG 731          HH22      ARG 731  69.124  -3.999 -12.692
  660    H    LYS 732           HN       LYS 732  72.309   4.483 -12.103
  661    HA   LYS 732           HA       LYS 732  70.302   6.430 -11.954
  662   1HB   LYS 732           HB2      LYS 732  72.532   5.713 -13.584
  663   2HB   LYS 732           HB1      LYS 732  71.200   6.137 -14.661
  664   1HG   LYS 732           HG2      LYS 732  72.563   8.122 -14.043
  665   2HG   LYS 732           HG1      LYS 732  70.894   8.266 -13.490
  666   1HD   LYS 732           HD2      LYS 732  71.914   8.807 -11.511
  667   2HD   LYS 732           HD1      LYS 732  71.972   7.053 -11.331
  668   1HE   LYS 732           HE2      LYS 732  74.194   8.187 -10.914
  669   2HE   LYS 732           HE1      LYS 732  74.251   6.998 -12.230
  670   1HZ   LYS 732           HZ1      LYS 732  74.385   8.595 -13.804
  671   2HZ   LYS 732           HZ2      LYS 732  75.053   9.509 -12.537
  672   3HZ   LYS 732           HZ3      LYS 732  73.414   9.691 -12.948
  673    H    LYS 733           HN       LYS 733  68.665   6.924 -13.732
  674    HA   LYS 733           HA       LYS 733  67.484   4.557 -15.074
  675   1HB   LYS 733           HB2      LYS 733  66.174   6.203 -12.893
  676   2HB   LYS 733           HB1      LYS 733  65.274   5.128 -13.959
  677   1HG   LYS 733           HG2      LYS 733  67.562   4.282 -12.158
  678   2HG   LYS 733           HG1      LYS 733  65.852   3.991 -11.842
  679   1HD   LYS 733           HD2      LYS 733  66.406   3.090 -14.492
  680   2HD   LYS 733           HD1      LYS 733  67.648   2.426 -13.428
  681   1HE   LYS 733           HE2      LYS 733  65.961   1.467 -11.959
  682   2HE   LYS 733           HE1      LYS 733  64.663   2.254 -12.879
  683   1HZ   LYS 733           HZ1      LYS 733  65.299  -0.156 -13.481
  684   2HZ   LYS 733           HZ2      LYS 733  66.645   0.547 -14.244
  685   3HZ   LYS 733           HZ3      LYS 733  65.072   0.961 -14.737
  686    H    ASN 734           HN       ASN 734  64.954   5.967 -15.483
  687    HA   ASN 734           HA       ASN 734  65.292   7.285 -17.862
  688   1HB   ASN 734           HB2      ASN 734  63.149   8.445 -17.257
  689   2HB   ASN 734           HB1      ASN 734  63.131   6.721 -16.884
  690   1HD2  ASN 734          HD21      ASN 734  61.385   8.443 -15.480
  691   2HD2  ASN 734          HD22      ASN 734  61.903   8.573 -13.869