*HEADER    CYTOKINE                                25-FEB-00   1EIG              
*TITLE     SOLUTION STRUCTURE OF THE HUMAN CHEMOKINE EOTAXIN-2                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EOTAXIN-2;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PET28A                                    
*KEYWDS    CHEMOKINE, CHEMOTACTIC CYTOKINE, EOSINOPHIL CHEMOATTRACTANT           
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    K.L.MAYER, M.J.STONE                                                  
*REVDAT   1   06-DEC-00 1EIG    0                                                
!c13_intra_1014.tbl
assign (resid 1 and name HA) (resid 1 and name HB) 3.3 1.5 0.0
assign (resid 1 and name HA) (resid 1 and name HG**) 5.0 3.2 2.5
assign (resid 2 and name HA) (resid 2 and name HB) 2.7 0.9 0.0
assign (resid 3 and name HA) (resid 3 and name HB) 2.7 0.9 0.0
assign (resid 3 and name HA) (resid 3 and name HD#) 3.3 1.5 1.5
assign (resid 3 and name HA) (resid 3 and name HG1*) 3.3 1.5 1.0
assign (resid 3 and name HA) (resid 3 and name HG2#) 2.7 0.9 1.5
!assign (resid 3 and name HG1*) (resid 3 and name HB) 2.7 0.9 1.0
assign (resid 3 and name HG1*) (resid 3 and name HD#) 2.7 0.9 2.5
assign (resid 4 and name HD*) (resid 4 and name HB*) 3.3 1.5 2.0
assign (resid 6 and name HA) (resid 6 and name HB*) 2.7 0.9 1.0
assign (resid 6 and name HA) (resid 6 and name HG*) 2.7 0.9 1.0
assign (resid 7 and name HA) (resid 7 and name HB*) 2.7 0.9 1.0
assign (resid 8 and name HB*) (resid 8 and name HA) 3.3 1.5 1.0
!assign (resid 10 and name HA) (resid 10 and name HB*) 2.7 0.9 1.0
assign (resid 11 and name HA) (resid 11 and name HB*) 2.7 0.9 1.0
assign (resid 12 and name HA) (resid 12 and name HB) 2.7 0.9 0.0
assign (resid 12 and name HA) (resid 12 and name HG**) 2.7 0.9 2.5
assign (resid 12 and name HG1#) (resid 12 and name HA) 3.3 1.5 1.5
assign (resid 12 and name HG1#) (resid 12 and name HB) 2.7 0.9 1.5
assign (resid 13 and name HA) (resid 13 and name HB*) 2.7 0.9 1.0
assign (resid 14 and name HG*) (resid 14 and name HB*) 2.7 0.9 2.0
assign (resid 14 and name HG*) (resid 14 and name HE*) 2.7 0.9 2.0
!loosen to M 10/21 back to S and remove stereo 10/28
!assign (resid 15 and name HA) (resid 15 and name HB1) 3.3 1.5 0.0
assign (resid 15 and name HA) (resid 15 and name HB*) 2.7 0.9 1.0
assign (resid 15 and name HA) (resid 15 and name HG*) 2.7 0.9 1.0
!rem stereo 10/28
!assign (resid 15 and name HB1) (resid 15 and name HD*) 3.3 1.5 1.0
!assign (resid 15 and name HB1) (resid 15 and name HG*) 2.7 0.9 1.0
assign (resid 15 and name HB*) (resid 15 and name HD*) 3.3 1.5 2.0
assign (resid 15 and name HB*) (resid 15 and name HG*) 2.7 0.9 2.0
assign (resid 15 and name HG*) (resid 15 and name HD*) 2.7 0.9 2.0
assign (resid 16 and name HB) (resid 16 and name HA) 3.3 1.5 0.0
assign (resid 16 and name HG1*) (resid 16 and name HB) 2.7 0.9 1.0
assign (resid 16 and name HG1*) (resid 16 and name HD#) 2.7 0.9 2.5
assign (resid 17 and name HA) (resid 17 and name HB*) 2.7 0.9 1.0
assign (resid 17 and name HA) (resid 17 and name HD*) 3.3 1.5 1.0
assign (resid 17 and name HA) (resid 17 and name HG*) 2.7 0.9 1.0
assign (resid 17 and name HD*) (resid 17 and name HB*) 3.3 1.5 2.0
assign (resid 18 and name HA) (resid 18 and name HG*) 2.7 0.9 1.0
assign (resid 19 and name HA) (resid 19 and name HB*) 2.7 0.9 1.0
!loosen to M 10/21
assign (resid 21 and name HA) (resid 21 and name HB) 3.3 1.5 0.0
assign (resid 21 and name HA) (resid 21 and name HG2#) 2.7 0.9 1.5
assign (resid 21 and name HA) (resid 21 and name HG1#) 2.7 0.9 1.5
assign (resid 21 and name HB) (resid 21 and name HG2#) 2.7 0.9 1.5
assign (resid 21 and name HB) (resid 21 and name HG1#) 2.7 0.9 1.5
assign (resid 22 and name HA) (resid 22 and name HB) 2.7 0.9 0.0
assign (resid 22 and name HA) (resid 22 and name HG2#) 2.7 0.9 1.5
assign (resid 22 and name HA) (resid 22 and name HG1#) 2.7 0.9 1.5
assign (resid 22 and name HB) (resid 22 and name HG2#) 2.7 0.9 1.5
assign (resid 22 and name HB) (resid 22 and name HG1#) 2.7 0.9 1.5
assign (resid 23 and name HA) (resid 23 and name HB*) 2.7 0.9 1.0
!assign (resid 24 and name HA) (resid 24 and name HB*) 2.7 0.9 1.0
assign (resid 26 and name HD2#) (resid 26 and name HB*) 2.7 0.9 2.5
assign (resid 26 and name HD1#) (resid 26 and name HB*) 2.7 0.9 2.5
assign (resid 27 and name HA) (resid 27 and name HB*) 2.7 0.9 1.0
assign (resid 28 and name HA) (resid 28 and name HB*) 2.7 0.9 1.0
!rem stereo 11/29
!assign (resid 29 and name HB2) (resid 29 and name HA) 3.3 1.5 0.0
assign (resid 29 and name HB*) (resid 29 and name HA) 3.3 1.5 1.0
!losened to M 11/29
assign (resid 29 and name HG*) (resid 29 and name HA) 3.3 1.5 1.0
assign (resid 30 and name HA) (resid 30 and name HB*) 2.7 0.9 1.0
assign (resid 31 and name HA) (resid 31 and name HG2#) 2.7 0.9 1.5
assign (resid 32 and name HA) (resid 32 and name HB*) 2.7 0.9 1.0
!changed from HG* to HD** 10/26
assign (resid 33 and name HB*) (resid 33 and name HD**) 2.7 0.9 3.5
assign (resid 34 and name HE*) (resid 34 and name HG*) 2.7 0.9 2.0
assign (resid 34 and name HG*) (resid 34 and name HB*) 2.7 0.9 2.0
!loosen to M 10/21
assign (resid 37 and name HA) (resid 37 and name HB) 3.3 1.5 0.0
assign (resid 37 and name HA) (resid 37 and name HG1#) 2.7 0.9 1.5
assign (resid 37 and name HA) (resid 37 and name HG2#) 2.7 0.9 1.5
assign (resid 37 and name HB) (resid 37 and name HG1#) 2.7 0.9 1.5
assign (resid 37 and name HB) (resid 37 and name HG2#) 2.7 0.9 1.5
assign (resid 37 and name HG2#) (resid 37 and name HG1#) 2.7 0.9 3.0
!loosen to M 10/21
assign (resid 38 and name HA) (resid 38 and name HB) 3.3 1.5 0.0
assign (resid 38 and name HA) (resid 38 and name HG1*) 2.7 0.9 1.0
assign (resid 38 and name HB) (resid 38 and name HG1*) 2.7 0.9 1.0
!assign (resid 39 and name HA) (resid 39 and name HB*) 2.7 0.9 1.0
!assign (resid 39 and name HB*) (resid 39 and name HD) 2.7 0.9 1.0
assign (resid 40 and name HA) (resid 40 and name HB) 3.3 1.5 0.0
assign (resid 40 and name HA) (resid 40 and name HG2#) 2.7 0.9 1.5
assign (resid 40 and name HB) (resid 40 and name HG2#) 2.7 0.9 1.5
assign (resid 41 and name HA) (resid 41 and name HB) 3.3 1.5 0.0
assign (resid 41 and name HA) (resid 41 and name HG2#) 2.7 0.9 1.5
assign (resid 41 and name HG2#) (resid 41 and name HB) 5.0 3.2 1.5
assign (resid 42 and name HA) (resid 42 and name HB*) 2.7 0.9 1.0
assign (resid 42 and name HA) (resid 42 and name HG*) 2.7 0.9 1.0
assign (resid 42 and name HB*) (resid 42 and name HE*) 2.7 0.9 2.0
!removed stereo 10/21
assign (resid 43 and name HB*) (resid 43 and name HA) 2.7 0.9 1.0
assign (resid 43 and name HB*) (resid 43 and name HE*) 3.3 1.5 2.0
!assign (resid 43 and name HB2) (resid 43 and name HA) 2.7 0.9 0.0
!assign (resid 43 and name HB2) (resid 43 and name HE*) 3.3 1.5 1.0
!assign (resid 43 and name HB1) (resid 43 and name HA) 2.7 0.9 0.0
!assign (resid 43 and name HB1) (resid 43 and name HE*) 5.0 3.2 1.0
assign (resid 45 and name HB*) (resid 45 and name HA) 5.0 3.2 1.0
assign (resid 46 and name HA) (resid 46 and name HB*) 2.7 0.9 1.0
assign (resid 46 and name HA) (resid 46 and name HG*) 2.7 0.9 1.0
assign (resid 47 and name HA) (resid 47 and name HB*) 2.7 0.9 1.0
assign (resid 48 and name HA) (resid 48 and name HB*) 2.7 0.9 1.0
assign (resid 50 and name HA) (resid 50 and name HB*) 2.7 0.9 1.0
!assign (resid 51 and name HB*) (resid 51 and name HA) 2.7 0.9 1.0
assign (resid 52 and name HA) (resid 52 and name HB*) 2.7 0.9 1.0
assign (resid 53 and name HA) (resid 53 and name HB*) 2.7 0.9 1.0
assign (resid 53 and name HA) (resid 53 and name HG*) 2.7 0.9 1.0
assign (resid 53 and name HB*) (resid 53 and name HG*) 2.7 0.9 2.0
assign (resid 54 and name HA) (resid 54 and name HB*) 2.7 0.9 1.0
assign (resid 54 and name HA) (resid 54 and name HG*) 2.7 0.9 1.0
assign (resid 54 and name HG*) (resid 54 and name HB*) 2.7 0.9 2.0
!assign (resid 55 and name HA) (resid 55 and name HB*) 2.7 0.9 1.0
!loosen to M 10/21
assign (resid 56 and name HA) (resid 56 and name HB) 3.3 1.5 0.0
assign (resid 56 and name HA) (resid 56 and name HG2#) 2.7 0.9 1.5
assign (resid 56 and name HA) (resid 56 and name HG1#) 2.7 0.9 1.5
assign (resid 56 and name HB) (resid 56 and name HG2#) 2.7 0.9 1.5
assign (resid 56 and name HB) (resid 56 and name HG1#) 2.7 0.9 1.5
assign (resid 56 and name HG2#) (resid 56 and name HG1#) 2.7 0.9 3.0
assign (resid 57 and name HA) (resid 57 and name HG*) 2.7 0.9 1.0
assign (resid 57 and name HB*) (resid 57 and name HA) 2.7 0.9 1.0
assign (resid 57 and name HB*) (resid 57 and name HG*) 2.7 0.9 2.0
assign (resid 58 and name HB*) (resid 58 and name HA) 2.7 0.9 1.0
assign (resid 58 and name HB*) (resid 58 and name HG*) 2.7 0.9 2.0
assign (resid 58 and name HG*) (resid 58 and name HA) 2.7 0.9 1.0
assign (resid 58 and name HG*) (resid 58 and name HD*) 2.7 0.9 2.0
!assign (resid 59 and name HA) (resid 59 and name HB2) 2.7 0.9 0.0
assign (resid 59 and name HA) (resid 59 and name HB*) 2.7 0.9 1.0
!assign (resid 60 and name HA) (resid 60 and name HB2) 2.7 0.9 0.0
!assign (resid 60 and name HA) (resid 60 and name HB1) 2.7 0.9 0.0
!assign (resid 60 and name HA) (resid 60 and name HB*) 2.7 0.9 1.0
assign (resid 60 and name HA) (resid 60 and name HG*) 2.7 0.9 1.0
!assign (resid 60 and name HB1) (resid 60 and name HB2) 2.7 0.9 0.0
!assign (resid 60 and name HB1) (resid 60 and name HG*) 2.7 0.9 1.0
!assign (resid 60 and name HG*) (resid 60 and name HB2) 2.7 0.9 1.0
!assign (resid 60 and name HG*) (resid 60 and name HB*) 2.7 0.9 2.0
assign (resid 61 and name HB*) (resid 61 and name HA) 2.7 0.9 1.0
assign (resid 61 and name HB*) (resid 61 and name HD*) 2.7 0.9 2.0
assign (resid 61 and name HB*) (resid 61 and name HG*) 2.7 0.9 2.0
assign (resid 62 and name HA) (resid 62 and name HB*) 2.7 0.9 1.0
assign (resid 63 and name HD2#) (resid 63 and name HA) 2.7 0.9 1.5
assign (resid 63 and name HD1#) (resid 63 and name HA) 3.3 1.5 1.5
assign (resid 63 and name HD1#) (resid 63 and name HD2#) 2.7 0.9 3.0
assign (resid 63 and name HG) (resid 63 and name HA) 2.7 0.9 0.0
assign (resid 63 and name HG) (resid 63 and name HD2#) 2.7 0.9 1.5
assign (resid 63 and name HG) (resid 63 and name HD1#) 2.7 0.9 1.5
assign (resid 64 and name HA) (resid 64 and name HB*) 2.7 0.9 1.0
assign (resid 65 and name HA) (resid 65 and name HB#) 2.7 0.9 1.5
assign (resid 66 and name HB#) (resid 66 and name HA) 2.7 0.9 1.5
assign (resid 67 and name HA) (resid 67 and name HB*) 2.7 0.9 1.0
assign (resid 67 and name HA) (resid 67 and name HG*) 2.7 0.9 1.0
assign (resid 67 and name HB*) (resid 67 and name HG*) 2.7 0.9 2.0
assign (resid 68 and name HG*) (resid 68 and name HA) 3.3 1.5 1.0
assign (resid 69 and name HG*) (resid 69 and name HA) 3.3 1.5 1.0
assign (resid 70 and name HA) (resid 70 and name HB#) 2.7 0.9 1.5
assign (resid 12 and name HB) (resid 12 and name HG**) 2.7 0.9 2.5
assign (resid 12 and name HG2#) (resid 12 and name HB) 2.7 0.9 1.5
assign (resid 18 and name HB*) (resid 18 and name HG*) 2.7 0.9 2.0
assign (resid 51 and name HA) (resid 51 and name HB*) 2.7 0.9 1.0
assign (resid 60 and name HA) (resid 60 and name HE#) 2.7 0.9 1.5
!assign (resid 60 and name HB*) (resid 60 and name HE#) 2.7 0.9 2.5
!assign (resid 60 and name HB2) (resid 60 and name HE#) 2.7 0.9 1.5
!assign (resid 60 and name HB1) (resid 60 and name HE#) 2.7 0.9 1.5
assign (resid 60 and name HG*) (resid 60 and name HE#) 5.0 3.2 2.5
assign (resid 9 and name HB*) (resid 9 and name HG*) 2.7 0.9 2.0
assign (resid 18 and name HA) (resid 18 and name HB*) 2.7 0.9 1.0
assign (resid 33 and name HA) (resid 33 and name HB*) 2.7 0.9 1.0
assign (resid 33 and name HA) (resid 33 and name HD**) 2.7 0.9 2.5
assign (resid 3 and name HD#) (resid 3 and name HG2#) 2.7 0.9 3.0
!assign (resid 3 and name HD#) (resid 3 and name HG1*) 2.7 0.9 2.5
!assign (resid 3 and name HG2#) (resid 3 and name HB) 2.7 0.9 1.5
!assign (resid 3 and name HG2#) (resid 3 and name HG1*) 2.7 0.9 2.5
assign (resid 15 and name HD*) (resid 15 and name HA) 3.3 1.5 1.0
assign (resid 16 and name HB) (resid 16 and name HD#) 2.7 0.9 1.5
assign (resid 16 and name HA) (resid 16 and name HG1*) 2.7 0.9 1.0
assign (resid 26 and name HA) (resid 26 and name HD2#) 2.7 0.9 1.5
!rem stereo 10/28
!assign (resid 63 and name HB2) (resid 63 and name HD2#) 2.7 0.9 1.5
!assign (resid 63 and name HB2) (resid 63 and name HD1#) 2.7 0.9 1.5
!assign (resid 63 and name HB2) (resid 63 and name HG) 2.7 0.9 0.0
!assign (resid 63 and name HB2) (resid 63 and name HA) 3.3 1.5 0.0
!assign (resid 63 and name HB1) (resid 63 and name HD2#) 2.7 0.9 1.5
!assign (resid 63 and name HB1) (resid 63 and name HD1#) 2.7 0.9 1.5
!assign (resid 63 and name HB1) (resid 63 and name HG) 3.3 1.5 0.0
!assign (resid 63 and name HB1) (resid 63 and name HB2) 2.7 0.9 0.0
!assign (resid 63 and name HB1) (resid 63 and name HA) 3.3 1.5 0.0
!assign (resid 63 and name HB*) (resid 63 and name HD2#) 2.7 0.9 2.5
!assign (resid 63 and name HB*) (resid 63 and name HD1#) 2.7 0.9 2.5
!assign (resid 63 and name HB*) (resid 63 and name HG) 2.7 0.9 1.0
!assign (resid 63 and name HB*) (resid 63 and name HA) 3.3 1.5 1.0
assign (resid 38 and name HD#) (resid 38 and name HG1*) 2.7 0.9 2.5
assign (resid 38 and name HD#) (resid 38 and name HB) 2.7 0.9 1.5
assign (resid 38 and name HD#) (resid 38 and name HA) 3.3 1.5 1.5
assign (resid 38 and name HG2#) (resid 38 and name HG1*) 2.7 0.9 2.5
assign (resid 38 and name HG2#) (resid 38 and name HB) 2.7 0.9 1.5
assign (resid 38 and name HG2#) (resid 38 and name HA) 3.3 1.5 1.5
!added stereo 12/13
!assign (resid 20 and name HB*) (resid 20 and name HA) 2.7 0.9 1.0
!assign (resid 20 and name HB*) (resid 20 and name HD*) 2.7 0.9 2.0
!assign (resid 20 and name HB*) (resid 20 and name HG*) 2.7 0.9 2.0
assign (resid 29 and name HD*) (resid 29 and name HG*) 2.7 0.9 2.0
!rem stereo 10/28
!assign (resid 29 and name HD*) (resid 29 and name HB2) 2.7 0.9 1.0
!assign (resid 29 and name HD*) (resid 29 and name HB1) 2.7 0.9 1.0
!loosen to M 11/29 rem 12/13 ol 20 b-d
!assign (resid 29 and name HD*) (resid 29 and name HB*) 3.3 1.5 2.0
!assign (resid 59 and name HB1) (resid 59 and name HA) 5.0 3.2 0.0
!assign (resid 59 and name HB1) (resid 59 and name HB2) 2.7 0.9 0.0
assign (resid 26 and name HA) (resid 26 and name HB*) 2.7 0.9 1.0
!c13_seq_1014.tbl
assign (resid 3 and name HA) (resid 4 and name HD*) 2.7 0.9 1.0
assign (resid 4 and name HD*) (resid 3 and name HG2#) 2.7 0.9 2.5
assign (resid 5 and name HA) (resid 6 and name HD*) 2.7 0.9 1.0
assign (resid 17 and name HD*) (resid 16 and name HA) 2.7 0.9 1.0
!assign (resid 17 and name HD*) (resid 16 and name HB) 5.0 3.2 1.0
!changed 11/09 from HD to HG2# based on 4d
assign (resid 17 and name HD*) (resid 16 and name HG2#) 2.7 0.9 2.5
!rem 10/19 dup
!assign (resid 18 and name HA) (resid 17 and name HA) 3.3 1.5 0.0
!rem 10/20
!assign (resid 18 and name HA) (resid 17 and name HD*) 2.7 0.9 1.0
assign (resid 23 and name HB*) (resid 22 and name HB) 3.3 1.5 1.0
!switched to M 10/22
assign (resid 23 and name HB*) (resid 22 and name HG2#) 3.3 1.5 2.5
!switched to M 10/26
assign (resid 23 and name HB*) (resid 22 and name HG1#) 3.3 1.5 2.5
assign (resid 30 and name HB*) (resid 31 and name HG2#) 3.3 1.5 2.5
!removed 11/05 back 11/08 rem again 11/22
!assign (resid 34 and name HG*) (resid 35 and name HA) 3.3 1.5 1.0
assign (resid 38 and name HA) (resid 37 and name HG1#) 5.0 3.2 1.5
assign (resid 40 and name HG2#) (resid 41 and name HA) 3.3 1.5 1.5
assign (resid 15 and name HA) (resid 16 and name HD#) 5.0 3.2 1.5
!rem 10/20 back 11/09 as W- looks W from spectra
assign (resid 17 and name HA) (resid 18 and name HA) 5.0 3.2 0.0
assign (resid 57 and name HA) (resid 56 and name HG1#) 3.3 1.5 1.5
assign (resid 3 and name HG2#) (resid 2 and name HA) 2.7 0.9 1.5
!changed from S to M 10/29
assign (resid 38 and name HD#) (resid 37 and name HG2#) 3.3 1.5 3.0
!c13_short_1014.tbl
assign (resid 21 and name HB) (resid 18 and name HA) 2.7 0.9 0.0
assign (resid 39 and name HA) (resid 37 and name HG1#) 5.0 3.2 1.5
assign (resid 44 and name HA*) (resid 40 and name HG2#) 2.7 0.9 2.5
assign (resid 53 and name HB*) (resid 56 and name HG2#) 2.7 0.9 2.5
assign (resid 54 and name HA) (resid 57 and name HB*) 2.7 0.9 0.0
assign (resid 55 and name HA) (resid 58 and name HB*) 2.7 0.9 1.0
!rem stereo 10/28
!assign (resid 56 and name HA) (resid 59 and name HB2) 2.7 0.9 0.0
!assign (resid 56 and name HA) (resid 59 and name HB1) 2.7 0.9 0.0
assign (resid 56 and name HA) (resid 59 and name HB*) 2.7 0.9 1.0
!rem stereo 10/28
!assign (resid 57 and name HA) (resid 60 and name HB2) 3.3 1.5 0.0
!assign (resid 57 and name HA) (resid 60 and name HB*) 3.3 1.5 1.0
assign (resid 59 and name HA) (resid 62 and name HB*) 2.7 0.9 1.0
!assign (resid 60 and name HB*) (resid 57 and name HA) 5.0 3.2 1.0
!assign (resid 60 and name HB1) (resid 57 and name HA) 5.0 3.2 0.0
assign (resid 62 and name HA) (resid 65 and name HB#) 2.7 0.9 1.5
!assign (resid 63 and name HD1#) (resid 60 and name HA) 5.0 3.2 1.5
!rem 11/02 do not see on 4d
!assign (resid 60 and name HE#) (resid 57 and name HA) 2.7 0.9 1.5
!removed 10/26 is 63d1 added 63 d1 10/26
!assign (resid 23 and name HA) (resid 21 and name HG1#) 2.7 0.9 1.5
!removed 10/26 is 63d1 added 63 d1 10/26
!assign (resid 24 and name HA) (resid 21 and name HG1#) 5.0 3.2 1.5
assign (resid 60 and name HE#) (resid 56 and name HG2#) 5.0 3.2 3.0
assign (resid 60 and name HE#) (resid 56 and name HG1#) 2.7 0.9 3.0
!removed 10/19 not sure I believe assignment back in 11/09 based on 4d
assign (resid 18 and name HA) (resid 21 and name HG2#) 2.7 0.9 1.5
assign (resid 53 and name HA) (resid 56 and name HG2#) 5.0 3.2 1.5
assign (resid 6 and name HD*) (resid 4 and name HD*) 2.7 0.9 2.0
assign (resid 12 and name HG**) (resid 16 and name HD#) 2.7 0.9 4.0
!loosened to M 12/08
assign (resid 55 and name HA) (resid 58 and name HG*) 3.3 1.5 1.0
assign (resid 55 and name HA) (resid 58 and name HD*) 2.7 0.9 1.0
!rem stereo 10/28
!assign (resid 63 and name HB2) (resid 60 and name HA) 3.3 1.5 0.0
!assign (resid 60 and name HA) (resid 63 and name HB1) 3.3 1.5 0.0
!assign (resid 60 and name HA) (resid 63 and name HB*) 3.3 1.5 1.0
assign (resid 61 and name HA) (resid 64 and name HB*) 2.7 0.9 1.0
assign (resid 65 and name HA) (resid 68 and name HB*) 5.0 3.2 1.0
!c13_long_1014.tbl
!set to W 10/19 from looking at spectrum
!rem 11/08 dont see on 4d
!assign (resid 21 and name HA) (resid 39 and name HA) 5.0 3.2 0.0
assign (resid 21 and name HA) (resid 41 and name HA) 2.7 0.9 0.0
assign (resid 24 and name HA) (resid 37 and name HG1#) 3.3 1.5 1.5
assign (resid 24 and name HA) (resid 39 and name HA) 2.7 0.9 0.0
!assign (resid 24 and name HB*) (resid 37 and name HG1#) 2.7 0.9 2.5
assign (resid 26 and name HA) (resid 37 and name HA) 2.7 0.9 0.0
assign (resid 26 and name HD2#) (resid 37 and name HG1#) 3.3 1.5 3.0
assign (resid 26 and name HD2#) (resid 37 and name HG2#) 2.7 0.9 3.0
assign (resid 37 and name HB) (resid 56 and name HG2#) 3.3 1.5 1.5
assign (resid 37 and name HB) (resid 56 and name HG1#) 2.7 0.9 1.5
assign (resid 39 and name HA) (resid 21 and name HG1#) 3.3 1.5 1.5
!assign (resid 39 and name HA) (resid 24 and name HB*) 2.7 0.9 1.0
assign (resid 40 and name HB) (resid 22 and name HG2#) 2.7 0.9 1.5
assign (resid 40 and name HB) (resid 22 and name HG1#) 5.0 3.2 1.5
assign (resid 40 and name HG2#) (resid 22 and name HG2#) 2.7 0.9 3.0
assign (resid 40 and name HG2#) (resid 46 and name HA) 3.3 1.5 1.5
assign (resid 41 and name HG2#) (resid 45 and name HB*) 2.7 0.9 2.5
assign (resid 42 and name HA) (resid 22 and name HG2#) 2.7 0.9 1.5
assign (resid 42 and name HA) (resid 22 and name HG1#) 2.7 0.9 1.5
assign (resid 46 and name HA) (resid 40 and name HA) 2.7 0.9 0.0
assign (resid 48 and name HA) (resid 38 and name HA) 2.7 0.9 0.0
assign (resid 49 and name HA*) (resid 56 and name HG2#) 2.7 0.9 2.5
assign (resid 49 and name HA*) (resid 56 and name HG1#) 5.0 3.2 2.5
!assign (resid 56 and name HB) (resid 51 and name HA) 2.7 0.9 0.0
!assign (resid 60 and name HG*) (resid 37 and name HG1#) 5.0 3.2 2.5
assign (resid 12 and name HG1#) (resid 47 and name HB*) 2.7 0.9 2.5
assign (resid 47 and name HB*) (resid 16 and name HD#) 2.7 0.9 2.5
!changed to M 10/22 
assign (resid 41 and name HA) (resid 22 and name HG2#) 3.3 1.5 1.5
!changed to M 10/22 
assign (resid 41 and name HA) (resid 22 and name HG1#) 3.3 1.5 1.5
assign (resid 51 and name HA) (resid 37 and name HG2#) 2.7 0.9 1.5
assign (resid 51 and name HA) (resid 56 and name HG2#) 3.3 1.5 1.5
assign (resid 51 and name HA) (resid 56 and name HG1#) 2.7 0.9 1.5
assign (resid 60 and name HE#) (resid 37 and name HG1#) 3.3 1.5 3.0
assign (resid 60 and name HE#) (resid 37 and name HG2#) 2.7 0.9 3.0
assign (resid 37 and name HG1#) (resid 56 and name HG1#) 2.7 0.9 3.0
assign (resid 37 and name HG2#) (resid 26 and name HG) 2.7 0.9 1.5
assign (resid 37 and name HG2#) (resid 56 and name HG1#) 2.7 0.9 3.0
!changed to M 10/22 
assign (resid 41 and name HA) (resid 21 and name HG1#) 3.3 1.5 1.5
assign (resid 49 and name HA*) (resid 12 and name HG**) 2.7 0.9 3.5
assign (resid 51 and name HB*) (resid 37 and name HG2#) 2.7 0.9 2.5
!assign (resid 39 and name HB*) (resid 16 and name HD#) 2.7 0.9 2.5
!assign (resid 39 and name HB*) (resid 21 and name HG1#) 3.3 1.5 2.5
assign (resid 21 and name HA) (resid 41 and name HG2#) 2.7 0.9 1.5
assign (resid 46 and name HB*) (resid 38 and name HG2#) 2.7 0.9 2.5
assign (resid 48 and name HA) (resid 38 and name HG2#) 2.7 0.9 1.5
assign (resid 38 and name HD#) (resid 27 and name HB*) 2.7 0.9 2.5
!removed 11/05 back 11/08
assign (resid 28 and name HA) (resid 35 and name HB#) 3.3 1.5 1.5
assign (resid 51 and name HA) (resid 56 and name HB) 2.7 0.9 0.0
assign (resid 26 and name HA) (resid 37 and name HG1#) 5.0 3.2 1.5
assign (resid 26 and name HA) (resid 37 and name HG2#) 2.7 0.9 1.5
assign (resid 38 and name HD#) (resid 48 and name HA) 5.0 3.2 1.5
!assign (resid 48 and name HA) (resid 38 and name HG2#) 2.7 0.9 1.5
assign (resid 11 and name HA) (resid 48 and name HB*) 3.3 1.5 1.0
!c13_from4d_1014.tbl
!removed for now- was removed in original file 10/14
!assign (resid 22 and name HG2#) (resid 42 and name HG*) 2.7 0.9 2.5
assign (resid 23 and name HA) (resid 63 and name HD2#) 2.7 0.9 1.5
assign (resid 47 and name HA) (resid 12 and name HG1#) 3.3 1.5 1.5
assign (resid 58 and name HB*) (resid 58 and name HD*) 2.7 0.9 2.0
!assign (resid 67 and name HG*) (resid 67 and name HB*) 2.7 0.9 2.0
assign (resid 72 and name HA) (resid 72 and name HB*) 2.7 0.9 1.0
assign (resid 72 and name HA) (resid 72 and name HG*) 2.7 0.9 1.0
assign (resid 72 and name HD*) (resid 72 and name HG*) 2.7 0.9 2.0
!
!
!added from 3d nulls 10/21
assign (resid 2 and name HG**) (resid 2 and name HA) 2.7 0.9 2.5
assign (resid 3 and name HB) (resid 3 and name HG2#) 2.7 0.9 1.5
assign (resid 3 and name HB) (resid 3 and name HG1*) 2.7 0.9 1.0
!assign (resid 3 and name HG2#) (resid 3 and name HB) 2.7 0.9 1.5
assign (resid 3 and name HG2#) (resid 3 and name HG1*) 2.7 0.9 2.5
assign (resid 9 and name HG*) (resid 10 and name HD*) 3.3 1.5 2.0
assign (resid 13 and name HA) (resid 12 and name HG**) 5.0 3.2 2.5
assign (resid 13 and name HB*) (resid 12 and name HG**) 5.0 3.2 3.5
!loosened to M 10/29
assign (resid 14 and name HA) (resid 12 and name HG**) 3.3 1.5 2.5
assign (resid 14 and name HA) (resid 14 and name HB*) 2.7 0.9 2.5
!assign (resid 15 and name HA) (resid 55 and name HZ2) 3.3 1.5 0.0
assign (resid 15 and name HA) (resid 12 and name HG**) 5.0 3.2 2.5
!added from nulls 10/22
assign (resid 16 and name HB) (resid 17 and name HD*) 2.7 0.9 1.0
!is S looks W add in as M
assign (resid 16 and name HG1*) (resid 59 and name HE*) 3.3 1.5 2.0
assign (resid 18 and name HB*) (resid 59 and name HE*) 3.3 1.5 2.0
assign (resid 18 and name HG*) (resid 59 and name HE*) 3.3 1.5 2.0
!added stereo 12/13
!assign (resid 20 and name HB*) (resid 41 and name HG2#) 3.3 1.5 2.5
!is S looks M
!assign (resid 20 and name HB*) (resid 16 and name HG2#) 3.3 1.5 2.5
!added fr0m 3d and nulls 10/26
assign (resid 22 and name HA) (resid 21 and name HG1#) 3.3 1.5 1.5
assign (resid 23 and name HA) (resid 63 and name HD1#) 2.7 0.9 1.5
assign (resid 24 and name HA) (resid 63 and name HD1#) 5.0 3.2 1.5
assign (resid 25 and name HB*) (resid 25 and name HA) 2.7 0.9 1.0
assign (resid 31 and name HB) (resid 31 and name HG2#) 2.7 0.9 1.5
!removed 11/05 back 11/08
assign (resid 35 and name HA) (resid 35 and name HB#) 2.7 0.9 1.5
assign (resid 36 and name HA*) (resid 51 and name HD*) 2.7 0.9 2.0
assign (resid 36 and name HA*) (resid 51 and name HG*) 3.3 1.5 2.0
assign (resid 36 and name HA*) (resid 37 and name HG2#) 3.3 1.5 2.5
!added from 3d 10/29
assign (resid 37 and name HG1#) (resid 60 and name HG*) 3.3 1.5 2.5
assign (resid 39 and name HA) (resid 38 and name HG2#) 3.3 1.5 1.5
!added from 3d 10/31
assign (resid 7 and name HA) (resid 38 and name HD#) 3.3 1.5 1.5
assign (resid 8 and name HB*) (resid 38 and name HD#) 5.0 3.2 2.5
assign (resid 49 and name HA*) (resid 39 and name HE*) 3.3 1.5 2.0
!assign (resid 46 and name HB*) (resid 38 and name HG2#) 2.7 0.9 2.5
assign (resid 51 and name HG*) (resid 37 and name HG2#) 2.7 0.9 2.5
!removed 11/05 back 11/08
assign (resid 51 and name HG*) (resid 35 and name HB#) 3.3 1.5 2.5
assign (resid 52 and name HA) (resid 52 and name HG*) 2.7 0.9 1.0
!added 11/02
assign (resid 66 and name HA) (resid 66 and name HG*) 3.3 1.5 1.0
assign (resid 66 and name HA) (resid 66 and name HD*) 3.3 1.5 1.0
assign (resid 59 and name HA) (resid 63 and name HD1#) 5.0 3.2 1.5
assign (resid 59 and name HB*) (resid 63 and name HD1#) 5.0 3.2 2.5
assign (resid 60 and name HA) (resid 63 and name HD1#) 3.3 1.5 1.5
!added 11/08 changed from 51a to 28b 11/0- rem 11/10
! is 27B* from structure 11/18
assign (resid 7 and name HA) (resid 27 and name HB*) 3.3 1.5 1.0
!loosened to W 11/10
assign (resid 15 and name HA) (resid 14 and name HB*) 5.0 3.2 1.0
!loosened to M 11/10 removed 11/11
!assign (resid 5 and name HA) (resid 4 and name HG*) 3.3 1.5 1.0
!added back from removed list 11/09
assign (resid 37 and name HA) (resid 26 and name HD2#) 2.7 0.9 0.5
assign (resid 27 and name HA) (resid 38 and name HD#) 5.0 3.2 0.5
!added 11/10
assign (resid 28 and name HB*) (resid 35 and name HB#) 3.3 1.5 2.5
assign (resid 28 and name HA) (resid 35 and name HA) 5.0 3.2 0.0
assign (resid 50 and name HA) (resid 11 and name HD*) 3.3 1.5 2.0
assign (resid 50 and name HA) (resid 11 and name HE*) 3.3 1.5 2.0
assign (resid 12 and name HB) (resid 55 and name HZ2) 5.0 3.2 1.0
!added 11/11
assign (resid 36 and name HA*) (resid 11 and name HE*) 2.7 0.9 3.0
assign (resid 35 and name HB*) (resid 11 and name HE*) 5.0 3.2 3.0
!added 11/12 loosened to W 11/18
assign (resid 41 and name HB) (resid 22 and name HG1#) 5.0 3.2 1.5
assign (resid 64 and name HA) (resid 67 and name HB*) 5.0 3.2 1.0
assign (resid 63 and name HA) (resid 66 and name HB*) 3.3 1.5 1.0
!added 11/22
assign (resid 71 and name HA) (resid 72 and name HD*) 2.7 0.9 1.0
!added 11/29
assign (resid 29 and name HD*) (resid 29 and name HA) 3.3 1.5 1.0
!added 11/30
assign (resid 6 and name HB*) (resid 38 and name HD#) 5.0 3.2 2.5
assign (resid 6 and name HG*) (resid 38 and name HD#) 3.3 1.5 2.5
assign (resid 11 and name HB*) (resid 50 and name HB*) 3.3 1.5 2.0
assign (resid 17 and name HD*) (resid 20 and name HD*) 3.3 1.5 2.0
assign (resid 17 and name HD*) (resid 20 and name HG*) 3.3 1.5 2.0
!loosened to W 12/01
assign (resid 30 and name HA) (resid 29 and name HA) 5.0 3.2 0.0
assign (resid 32 and name HA) (resid 33 and name HB*) 5.0 3.2 1.0
assign (resid 38 and name HG1*) (resid 27 and name HB*) 5.0 3.2 2.0
assign (resid 55 and name HA) (resid 59 and name HD*) 3.3 1.5 1.0
!assign (resid 55 and name HB*) (resid 59 and name HD*) 5.0 3.2 2.0
assign (resid 58 and name HB*) (resid 59 and name HD*) 3.3 1.5 2.0
assign (resid 58 and name HD*) (resid 59 and name HD*) 3.3 1.5 2.0
assign (resid 60 and name HG*) (resid 39 and name HE*) 3.3 1.5 2.0
assign (resid 60 and name HG*) (resid 39 and name HZ) 3.3 1.5 1.0
!added 12/06
assign (resid 3 and name HG2#) (resid 24 and name HD*) 3.3 1.5 3.5
assign (resid 51 and name HD*) (resid 11 and name HE*) 2.7 0.9 3.0
!added 12/07
! rem 12/09 dup
!assign (resid 16 and name HA) (resid 17 and name HD*) 2.7 0.9 1.0
assign (resid 3 and name HD#) (resid 38 and name HD#) 2.7 0.9 3.0
!loosen to W 12/13
assign (resid 4 and name HA) (resid 3 and name HG2#) 5.0 3.2 1.5
!rem 12/08 making 15 bad
!assign (resid 12 and name HG1#) (resid 16 and name HG1*) 2.7 0.9 2.5
!added 12/08
assign (resid 50 and name HB*) (resid 53 and name HB*) 3.3 1.5 2.0
assign (resid 22 and name HA) (resid 21 and name HA) 5.0 3.2 0.0
!rem 12/09 dup
!assign (resid 60 and name HG*) (resid 37 and name HG1#) 3.3 1.5 2.5
assign (resid 60 and name HG*) (resid 37 and name HG2#) 3.3 1.5 2.5
assign (resid 41 and name HB) (resid 45 and name HB*) 2.7 0.9 1.0
assign (resid 41 and name HA) (resid 20 and name HB*) 3.3 1.5 1.0
assign (resid 41 and name HA) (resid 42 and name HB*) 5.0 3.2 1.0
assign (resid 41 and name HG2#) (resid 16 and name HG2#) 2.7 0.9 3.0
assign (resid 50 and name HA) (resid 51 and name HG*) 3.3 1.5 1.0
assign (resid 52 and name HA) (resid 53 and name HA) 5.0 3.2 0.0
assign (resid 54 and name HA) (resid 53 and name HA) 5.0 3.2 0.0
!rem 1209 dup
!assign (resid 55 and name HD1) (resid 53 and name HB*) 3.3 1.5 1.0
!added 12/13 stereos
assign (resid 10 and name HA) (resid 10 and name HB1) 3.3 1.5 0.0
assign (resid 10 and name HA) (resid 10 and name HB2) 2.7 0.9 0.0
assign (resid 10 and name HB1) (resid 10 and name HD*) 2.7 0.9 2.0
assign (resid 10 and name HB2) (resid 10 and name HD*) 2.7 0.9 2.0
assign (resid 20 and name HB1) (resid 20 and name HA) 2.7 0.9 0.0
assign (resid 20 and name HB1) (resid 20 and name HD*) 2.7 0.9 1.0
assign (resid 20 and name HB1) (resid 20 and name HG*) 2.7 0.9 1.0
assign (resid 20 and name HB2) (resid 20 and name HA) 3.3 1.5 0.0
assign (resid 20 and name HB2) (resid 20 and name HD*) 2.7 0.9 1.0
assign (resid 20 and name HB2) (resid 20 and name HG*) 2.7 0.9 1.0
assign (resid 20 and name HB1) (resid 41 and name HG2#) 3.3 1.5 1.5
assign (resid 20 and name HB2) (resid 41 and name HG2#) 3.3 1.5 1.5
assign (resid 20 and name HB1) (resid 16 and name HG2#) 3.3 1.5 1.5
assign (resid 20 and name HB2) (resid 16 and name HG2#) 3.3 1.5 1.5
assign (resid 24 and name HA) (resid 24 and name HB1) 2.7 0.9 0.0
assign (resid 24 and name HA) (resid 24 and name HB2) 2.7 0.9 0.0
assign (resid 24 and name HB1) (resid 37 and name HG1#) 2.7 0.9 1.5
assign (resid 24 and name HB2) (resid 37 and name HG1#) 3.3 1.5 1.5
assign (resid 39 and name HA) (resid 24 and name HB1) 3.3 1.5 0.0
assign (resid 39 and name HA) (resid 24 and name HB2) 3.3 1.5 0.0
assign (resid 55 and name HA) (resid 55 and name HB1) 2.7 0.9 0.0
assign (resid 55 and name HA) (resid 55 and name HB2) 2.7 0.9 0.0
assign (resid 55 and name HB1) (resid 59 and name HD*) 5.0 3.2 1.0
assign (resid 55 and name HB2) (resid 59 and name HD*) 5.0 3.2 1.0
assign (resid 55 and name HD1) (resid 55 and name HB1) 5.0 3.2 0.0
assign (resid 55 and name HD1) (resid 55 and name HB2) 5.0 3.2 0.0
assign (resid 55 and name HE3) (resid 55 and name HB1) 5.0 3.2 0.0
assign (resid 55 and name HE3) (resid 55 and name HB2) 5.0 3.2 0.0
assign (resid 39 and name HA) (resid 39 and name HB1) 2.7 0.9 0.0
assign (resid 39 and name HB1) (resid 39 and name HD*) 3.3 1.5 2.0
assign (resid 39 and name HB1) (resid 16 and name HD#) 3.3 1.5 1.5
assign (resid 39 and name HB1) (resid 21 and name HG1#) 3.3 1.5 1.5
assign (resid 39 and name HB1) (resid 39 and name HE*) 3.3 1.5 2.0
assign (resid 39 and name HA) (resid 39 and name HB2) 3.3 1.5 0.0
assign (resid 39 and name HB2) (resid 39 and name HD*) 2.7 0.9 2.0
assign (resid 39 and name HB2) (resid 16 and name HD#) 2.7 0.9 1.5
assign (resid 39 and name HB2) (resid 21 and name HG1#) 3.3 1.5 1.5
assign (resid 39 and name HB2) (resid 39 and name HE*) 3.3 1.5 2.0
assign (resid 63 and name HB2) (resid 63 and name HD2#) 2.7 0.9 1.5
assign (resid 63 and name HB2) (resid 63 and name HD1#) 2.7 0.9 1.5
assign (resid 63 and name HB2) (resid 63 and name HG) 2.7 0.9 0.0
assign (resid 63 and name HB2) (resid 63 and name HA) 3.3 1.5 0.0
assign (resid 63 and name HB1) (resid 63 and name HD2#) 2.7 0.9 1.5
assign (resid 63 and name HB1) (resid 63 and name HD1#) 2.7 0.9 1.5
assign (resid 63 and name HB1) (resid 63 and name HG) 3.3 1.5 0.0
assign (resid 63 and name HB1) (resid 63 and name HB2) 2.7 0.9 0.0
assign (resid 63 and name HB1) (resid 63 and name HA) 3.3 1.5 0.0
assign (resid 63 and name HB2) (resid 60 and name HA) 3.3 1.5 0.0
assign (resid 60 and name HA) (resid 63 and name HB1) 3.3 1.5 0.0
assign (resid 60 and name HA) (resid 60 and name HB1) 2.7 0.9 0.0
!loosen to M 12/17
assign (resid 60 and name HA) (resid 60 and name HB2) 3.3 1.5 0.0
assign (resid 60 and name HB2) (resid 60 and name HG*) 2.7 0.9 1.0
assign (resid 60 and name HG*) (resid 60 and name HB1) 2.7 0.9 1.0
assign (resid 60 and name HB1) (resid 60 and name HE#) 2.7 0.9 1.5
assign (resid 60 and name HB2) (resid 60 and name HE#) 2.7 0.9 1.5
assign (resid 57 and name HA) (resid 60 and name HB1) 3.3 1.5 0.0
assign (resid 60 and name HB2) (resid 57 and name HA) 5.0 3.2 0.0
!new_aro_3d_1012.tbl
assign (resid 55 and name HZ2) (resid 55 and name HH2) 2.7 0.9 0.0
!assign (resid 55 and name HZ2) (resid 12 and name HG**) 2.7 0.9 2.5
assign (resid 55 and name HZ2) (resid 15 and name HA) 3.3 1.5 0.0
!assign (resid 55 and name HZ2) (resid 16 and name HD#) 3.3 1.5 1.5
!rem 10/20 do not see on 4d
!assign (resid 55 and name HZ2) (resid 56 and name HG1#) 3.3 1.5 1.5
!assign (resid 55 and name HZ2) (resid 56 and name HG2#) 2.7 0.9 1.5
!assign (resid 59 and name HE*) (resid 21 and name HG1#) 2.7 0.9 3.5
assign (resid 59 and name HE*) (resid 16 and name HB) 2.7 0.9 2.0
assign (resid 59 and name HE*) (resid 18 and name HA) 2.7 0.9 2.0
assign (resid 55 and name HZ3) (resid 16 and name HD#) 3.3 1.5 1.5
assign (resid 55 and name HZ3) (resid 55 and name HE3) 2.7 0.9 0.0
!assign (resid 55 and name HZ3) (resid 55 and name HH2) 2.7 0.9 0.0
!assign (resid 55 and name HE3) (resid 55 and name HZ3) 2.7 0.9 0.0
!set to W 10/13 was S insight says can't be <4.3 anyway and 15/15 viols
assign (resid 55 and name HE3) (resid 55 and name HH2) 5.0 3.2 0.0
!assign (resid 55 and name HH2) (resid 56 and name HG2#) 3.3 1.5 1.5
!assign (resid 55 and name HH2) (resid 16 and name HD#) 3.3 1.5 1.5
!assign (resid 55 and name HH2) (resid 12 and name HG**) 2.7 0.9 2.5
assign (resid 55 and name HH2) (resid 55 and name HZ3) 2.7 0.9 0.0
!assign (resid 55 and name HH2) (resid 55 and name HZ2) 2.7 0.9 0.0
!assign (resid 24 and name HD*) (resid 37 and name HG1#) 2.7 0.9 2.5
!assign (resid 24 and name HD*) (resid 26 and name HD2#) 2.7 0.9 2.5
!assign (resid 24 and name HD*) (resid 63 and name HD1#) 2.7 0.9 2.5
!rem stereo 10/28
assign (resid 24 and name HD*) (resid 63 and name HB*) 2.7 0.9 3.0
!assign (resid 24 and name HD*) (resid 63 and name HB1) 2.7 0.9 2.0
!set to W from S 10/22
assign (resid 24 and name HD*) (resid 63 and name HG) 5.0 3.2 2.0
assign (resid 24 and name HD*) (resid 24 and name HB*) 2.7 0.9 3.0
assign (resid 24 and name HD*) (resid 24 and name HE*) 2.7 0.9 3.0
!assign (resid 39 and name HD*) (resid 16 and name HD#) 2.7 0.9 3.5
!assign (resid 39 and name HD*) (resid 63 and name HD1#) 2.7 0.9 3.5
assign (resid 39 and name HD*) (resid 24 and name HB*) 3.3 1.5 3.0
!assign (resid 39 and name HD*) (resid 39 and name HB*) 2.7 0.9 3.0
!assign (resid 39 and name HD*) (resid 39 and name HA) 3.3 1.5 2.0
!assign (resid 39 and name HD*) (resid 39 and name HE*) 2.7 0.9 3.0
!assign (resid 59 and name HD*) (resid 21 and name HG1#) 2.7 0.9 3.5
!assign (resid 59 and name HD*) (resid 21 and name HG2#) 2.7 0.9 3.5
!assign (resid 39 and name HE*) (resid 56 and name HG2#) 3.3 1.5 3.5
!assign (resid 39 and name HE*) (resid 37 and name HG1#) 3.3 1.5 3.5
!assign (resid 39 and name HE*) (resid 56 and name HG1#) 2.7 0.9 3.5
!assign (resid 39 and name HE*) (resid 16 and name HD#) 3.3 1.5 3.5
assign (resid 39 and name HE*) (resid 56 and name HA) 3.3 1.5 2.0
assign (resid 39 and name HE*) (resid 39 and name HD*) 2.7 0.9 3.0
!assign (resid 39 and name HZ) (resid 37 and name HG1#) 3.3 1.5 1.5
!assign (resid 39 and name HZ) (resid 56 and name HG1#) 3.3 1.5 1.5
assign (resid 39 and name HZ) (resid 56 and name HA) 5.0 3.2 0.0
!
!c13_f10f11_1014.tbl
assign (resid 9 and name HB*) (resid 10 and name HD*) 5.0 3.2 3.0
assign (resid 12 and name HA) (resid 10 and name HD*) 3.3 1.5 2.0
assign (resid 11 and name HA) (resid 11 and name HD*) 2.7 0.9 2.0
!removed 11/04 as a test- sees weak 11/06 prob OK 
assign (resid 50 and name HB*) (resid 11 and name HD*) 3.3 1.5 3.0
assign (resid 9 and name HB*) (resid 10 and name HE*) 5.0 3.2 3.0
assign (resid 12 and name HA) (resid 10 and name HE*) 3.3 1.5 2.0
!set to M 10/20
assign (resid 11 and name HA) (resid 11 and name HE*) 3.3 1.5 2.0
!rem 11/08 back in 11/10 as E* -not yet
!assign (resid 36 and name HA*) (resid 11 and name HE*) 2.7 0.9 3.0
!c13_aro_1014.tbl
assign (resid 24 and name HD*) (resid 60 and name HA) 5.0 3.2 2.0
assign (resid 63 and name HG) (resid 24 and name HE*) 5.0 3.2 2.0
assign (resid 39 and name HD*) (resid 39 and name HA) 3.3 1.5 2.0
assign (resid 39 and name HD*) (resid 24 and name HA) 3.3 1.5 2.0
assign (resid 49 and name HA*) (resid 39 and name HD*) 5.0 3.2 3.0
!loosen to W 10/21
assign (resid 55 and name HA) (resid 55 and name HD1) 5.0 3.2 0.0
!assign (resid 55 and name HD1) (resid 55 and name HB*) 5.0 3.2 1.0
assign (resid 53 and name HB*) (resid 55 and name HD1) 3.3 1.5 1.0
!assign (resid 56 and name HG2#) (resid 55 and name HH2) 5.0 3.2 1.5
assign (resid 16 and name HB) (resid 55 and name HZ3) 5.0 3.2 0.0
assign (resid 56 and name HA) (resid 55 and name HZ3) 5.0 3.2 0.0
assign (resid 56 and name HA) (resid 55 and name HE3) 3.3 1.5 0.0
!assign (resid 55 and name HE3) (resid 55 and name HB*) 5.0 3.2 1.0
assign (resid 55 and name HA) (resid 55 and name HE3) 5.0 3.2 0.0
assign (resid 59 and name HE*) (resid 55 and name HE3) 3.3 1.5 2.0
assign (resid 59 and name HE*) (resid 55 and name HZ3) 3.3 1.5 2.0
!assign (resid 26 and name HD2#) (resid 24 and name HE*) 2.7 0.9 2.5
assign (resid 24 and name HA) (resid 24 and name HD*) 3.3 1.5 2.0
assign (resid 60 and name HE#) (resid 24 and name HE*) 2.7 0.9 3.5
assign (resid 24 and name HA) (resid 39 and name HE*) 3.3 1.5 2.0
assign (resid 37 and name HB) (resid 39 and name HE*) 3.3 1.5 2.0
!assign (resid 39 and name HB*) (resid 39 and name HE*) 3.3 1.5 3.0
!rem stereo 10/28
!assign (resid 59 and name HB1) (resid 39 and name HE*) 2.7 0.9 1.0
!assign (resid 59 and name HB2) (resid 39 and name HE*) 2.7 0.9 1.0
!assign (resid 59 and name HB2) (resid 39 and name HZ) 3.3 1.5 0.0
!assign (resid 59 and name HB1) (resid 39 and name HZ) 2.7 0.9 0.0
!assign (resid 59 and name HB2) (resid 59 and name HD*) 2.7 0.9 1.0
!assign (resid 59 and name HB1) (resid 59 and name HD*) 2.7 0.9 1.0
assign (resid 59 and name HB*) (resid 39 and name HE*) 2.7 0.9 3.0
assign (resid 59 and name HB*) (resid 39 and name HZ) 2.7 0.9 1.0
assign (resid 59 and name HB*) (resid 59 and name HD*) 2.7 0.9 3.0
!1201_aro_4d_noe.tbl
assign (resid 26 and name HD1#) (resid 24 and name HD*) 2.7 0.9 3.5
assign (resid 26 and name HD2#) (resid 24 and name HD*) 2.7 0.9 3.5
assign (resid 63 and name HD2#) (resid 24 and name HD*) 2.7 0.9 3.5
assign (resid 37 and name HG1#) (resid 24 and name HD*) 2.7 0.9 3.5
assign (resid 37 and name HG2#) (resid 24 and name HD*) 2.7 0.9 3.5
assign (resid 63 and name HD1#) (resid 24 and name HD*) 2.7 0.9 3.5
assign (resid 26 and name HD1#) (resid 24 and name HE*) 2.7 0.9 3.5
assign (resid 26 and name HD2#) (resid 24 and name HE*) 2.7 0.9 3.5
assign (resid 63 and name HD2#) (resid 24 and name HE*) 2.7 0.9 3.5
assign (resid 37 and name HG1#) (resid 24 and name HE*) 2.7 0.9 3.5
!loosened to M 12/04
assign (resid 37 and name HG2#) (resid 24 and name HE*) 3.3 1.5 3.5
assign (resid 16 and name HD#) (resid 39 and name HD*) 2.7 0.9 3.5
assign (resid 21 and name HG1#) (resid 39 and name HD*) 2.7 0.9 3.5
!loosened to M 12/04
assign (resid 21 and name HG2#) (resid 39 and name HD*) 3.3 1.5 3.5
!loosened to M 12/04
assign (resid 37 and name HG1#) (resid 39 and name HD*) 3.3 1.5 3.5
!loosened to M 12/04
assign (resid 56 and name HG2#) (resid 39 and name HD*) 3.3 1.5 3.5
assign (resid 63 and name HD1#) (resid 39 and name HD*) 2.7 0.9 3.5
assign (resid 16 and name HD#) (resid 39 and name HE*) 2.7 0.9 3.5
assign (resid 21 and name HG1#) (resid 39 and name HE*) 2.7 0.9 3.5
assign (resid 37 and name HG1#) (resid 39 and name HE*) 2.7 0.9 3.5
assign (resid 56 and name HG1#) (resid 39 and name HE*) 2.7 0.9 3.5
assign (resid 56 and name HG2#) (resid 39 and name HE*) 2.7 0.9 3.5
assign (resid 63 and name HD1#) (resid 39 and name HE*) 2.7 0.9 3.5
assign (resid 37 and name HG1#) (resid 39 and name HZ) 2.7 0.9 1.5
assign (resid 56 and name HG1#) (resid 39 and name HZ) 2.7 0.9 1.5
!removed 12/03- had been removed 10/13 for always violating
!assign (resid 38 and name HG2#) (resid 55 and name HE3) 2.7 0.9 1.5
assign (resid 56 and name HG2#) (resid 55 and name HE3) 2.7 0.9 1.5
assign (resid 12 and name HG1#) (resid 55 and name HH2) 2.7 0.9 1.5
assign (resid 12 and name HG2#) (resid 55 and name HH2) 2.7 0.9 1.5
assign (resid 16 and name HD#) (resid 55 and name HH2) 2.7 0.9 1.5
assign (resid 56 and name HG2#) (resid 55 and name HH2) 2.7 0.9 1.5
assign (resid 12 and name HG1#) (resid 55 and name HZ2) 2.7 0.9 1.5
assign (resid 12 and name HG2#) (resid 55 and name HZ2) 2.7 0.9 1.5
!loosened to M 12/04
assign (resid 16 and name HD#) (resid 55 and name HZ2) 3.3 1.5 1.5
assign (resid 56 and name HG2#) (resid 55 and name HZ2) 2.7 0.9 1.5
assign (resid 21 and name HG1#) (resid 59 and name HD*) 2.7 0.9 3.5
assign (resid 21 and name HG2#) (resid 59 and name HD*) 2.7 0.9 3.5
assign (resid 16 and name HG2#) (resid 59 and name HE*) 2.7 0.9 3.5
assign (resid 16 and name HD#) (resid 59 and name HE*) 2.7 0.9 3.5
assign (resid 21 and name HG1#) (resid 59 and name HE*) 2.7 0.9 3.5
assign (resid 21 and name HG2#) (resid 59 and name HE*) 2.7 0.9 3.5
assign (resid 12 and name HG2#) (resid 11 and name HE*) 2.7 0.9 3.5
assign (resid 12 and name HG1#) (resid 10 and name HE*) 2.7 0.9 3.5
!15N restraints
assign (resid 2 and name HN) (resid 2 and name HA) 5.0 3.2 0.2
assign (resid 2 and name HN) (resid 2 and name HB) 3.3 1.5 0.2
assign (resid 3 and name HN) (resid 3 and name HA) 5.0 3.2 0.2
assign (resid 3 and name HN) (resid 3 and name HB) 2.7 0.9 0.2
assign (resid 3 and name HN) (resid 3 and name HD#) 3.3 1.5 1.7
!loosened to W 9/17
assign (resid 3 and name HN) (resid 3 and name HG1*) 5.0 3.2 1.2
!removed 9/8 dup
!assign (resid 3 and name HN) (resid 3 and name HG1*) 5.0 3.2 1.2
assign (resid 8 and name HN) (resid 8 and name HA) 3.3 1.5 0.2
!assign (resid 8 and name HN) (resid 8 and name HB*) 3.3 1.5 1.2
assign (resid 9 and name HN) (resid 9 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 9 and name HN) (resid 9 and name HB*) 3.3 1.5 1.2
assign (resid 9 and name HN) (resid 9 and name HG*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 9 and name HN) (resid 9 and name HG*) 3.3 1.5 1.2
!assign (resid 10 and name HN) (resid 10 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 10 and name HN) (resid 10 and name HB*) 5.0 3.2 1.2
assign (resid 11 and name HN) (resid 11 and name HA) 5.0 3.2 0.2
assign (resid 12 and name HN) (resid 12 and name HA) 3.3 1.5 0.2
assign (resid 12 and name HN) (resid 12 and name HB) 3.3 1.5 0.2
assign (resid 12 and name HN) (resid 12 and name HG**) 2.7 0.9 2.7
assign (resid 13 and name HN) (resid 13 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 13 and name HN) (resid 13 and name HB*) 3.3 1.5 1.2
assign (resid 14 and name HN) (resid 14 and name HA) 3.3 1.5 0.2
assign (resid 14 and name HN) (resid 14 and name HB*) 2.7 0.9 1.2
assign (resid 15 and name HN) (resid 15 and name HA) 3.3 1.5 0.2
!rem stereo 10/28
!assign (resid 15 and name HN) (resid 15 and name HB1) 2.7 0.9 0.2
assign (resid 15 and name HN) (resid 15 and name HB*) 2.7 0.9 1.2
assign (resid 15 and name HN) (resid 15 and name HG*) 3.3 1.5 1.2
assign (resid 16 and name HN) (resid 16 and name HA) 5.0 3.2 0.2
assign (resid 16 and name HN) (resid 16 and name HB) 5.0 3.2 0.2
assign (resid 16 and name HN) (resid 16 and name HD#) 5.0 3.2 1.7
assign (resid 16 and name HN) (resid 16 and name HG11) 5.0 3.2 0.2
assign (resid 16 and name HN) (resid 16 and name HG12) 5.0 3.2 0.2
assign (resid 18 and name HN) (resid 18 and name HA) 3.3 1.5 0.2
assign (resid 18 and name HN) (resid 18 and name HG*) 3.3 1.5 1.2
assign (resid 19 and name HN) (resid 19 and name HA) 2.7 0.9 0.2
assign (resid 19 and name HN) (resid 19 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 19 and name HN) (resid 19 and name HB*) 3.3 1.5 1.2
!assign (resid 20 and name HN) (resid 20 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 20 and name HN) (resid 20 and name HB*) 3.3 1.5 1.2
assign (resid 20 and name HN) (resid 20 and name HG*) 2.7 0.9 1.2
assign (resid 21 and name HN) (resid 21 and name HA) 3.3 1.5 0.2
assign (resid 21 and name HN) (resid 21 and name HG2#) 2.7 0.9 1.7
assign (resid 21 and name HN) (resid 21 and name HG1#) 3.3 1.5 1.7
assign (resid 22 and name HN) (resid 22 and name HA) 3.3 1.5 0.2
assign (resid 22 and name HN) (resid 22 and name HB) 3.3 1.5 0.2
assign (resid 23 and name HN) (resid 23 and name HB*) 2.7 0.9 1.2
assign (resid 24 and name HN) (resid 24 and name HA) 3.3 1.5 0.2
!assign (resid 24 and name HN) (resid 24 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 24 and name HN) (resid 24 and name HB*) 5.0 3.2 1.2
assign (resid 25 and name HN) (resid 25 and name HA) 3.3 1.5 0.2
assign (resid 25 and name HN) (resid 25 and name HB*) 2.7 0.9 1.2
assign (resid 26 and name HN) (resid 26 and name HA) 3.3 1.5 0.2
assign (resid 26 and name HN) (resid 26 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 26 and name HN) (resid 26 and name HB*) 2.7 0.9 1.2
assign (resid 27 and name HN) (resid 27 and name HA) 2.7 0.9 0.2
assign (resid 27 and name HN) (resid 27 and name HB*) 2.7 0.9 1.2
assign (resid 28 and name HN) (resid 28 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 28 and name HN) (resid 28 and name HB*) 3.3 1.5 1.2
assign (resid 29 and name HN) (resid 29 and name HA) 5.0 3.2 0.2
!rem stereo 10/28
!assign (resid 29 and name HN) (resid 29 and name HB2) 3.3 1.5 0.2
!assign (resid 29 and name HN) (resid 29 and name HB1) 3.3 1.5 0.2
assign (resid 29 and name HN) (resid 29 and name HB*) 3.3 1.5 1.2
assign (resid 29 and name HN) (resid 29 and name HG*) 3.3 1.5 1.2
assign (resid 30 and name HN) (resid 30 and name HA) 3.3 1.5 0.2
assign (resid 30 and name HN) (resid 30 and name HB*) 3.3 1.5 1.2
assign (resid 31 and name HN) (resid 31 and name HG2#) 3.3 1.5 1.7
assign (resid 32 and name HN) (resid 32 and name HA) 3.3 1.5 0.2
assign (resid 32 and name HN) (resid 32 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 32 and name HN) (resid 32 and name HB*) 3.3 1.5 1.2
assign (resid 32 and name HN) (resid 33 and name HN) 5.0 3.2 0.4
assign (resid 33 and name HN) (resid 32 and name HA) 2.7 0.9 0.2
!removed 9/8 dup
!assign (resid 33 and name HN) (resid 32 and name HB*) 5.0 3.2 1.2
assign (resid 33 and name HN) (resid 32 and name HB*) 3.3 1.5 1.2
assign (resid 33 and name HN) (resid 33 and name HA) 2.7 0.9 0.2
assign (resid 33 and name HN) (resid 33 and name HD**) 3.3 1.5 2.7
assign (resid 34 and name HN) (resid 34 and name HA) 5.0 3.2 0.2
assign (resid 34 and name HN) (resid 34 and name HG*) 5.0 3.2 1.2
!rem 11/05 back 11/08
assign (resid 35 and name HN) (resid 35 and name HB#) 2.7 0.9 1.7
assign (resid 36 and name HN) (resid 36 and name HA1) 3.3 1.5 0.2
assign (resid 36 and name HN) (resid 36 and name HA2) 3.3 1.5 0.2
!changed 9/3 from 2.7 0.9 0.2 to M kept being viol
assign (resid 37 and name HN) (resid 37 and name HB) 3.3 1.5 0.2
assign (resid 37 and name HN) (resid 37 and name HG1#) 3.3 1.5 1.7
assign (resid 37 and name HN) (resid 37 and name HG2#) 2.7 0.9 1.7
assign (resid 38 and name HN) (resid 38 and name HA) 5.0 3.2 0.2
assign (resid 38 and name HN) (resid 38 and name HB) 2.7 0.9 0.2
assign (resid 39 and name HN) (resid 39 and name HA) 3.3 1.5 0.2
assign (resid 39 and name HN) (resid 39 and name HB*) 2.7 0.9 1.2
assign (resid 40 and name HN) (resid 40 and name HA) 2.7 0.9 0.2
assign (resid 41 and name HN) (resid 41 and name HA) 2.7 0.9 0.2
assign (resid 41 and name HN) (resid 41 and name HB) 2.7 0.9 0.2
assign (resid 44 and name HN) (resid 44 and name HA1) 2.7 0.9 0.2
assign (resid 44 and name HN) (resid 44 and name HA2) 2.7 0.9 0.2
assign (resid 45 and name HN) (resid 45 and name HA) 3.3 1.5 0.2
assign (resid 45 and name HN) (resid 45 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 45 and name HN) (resid 45 and name HB*) 3.3 1.5 1.2
assign (resid 45 and name HN) (resid 45 and name HG*) 3.3 1.5 1.2
assign (resid 47 and name HN) (resid 47 and name HA) 3.3 1.5 0.2
assign (resid 47 and name HN) (resid 47 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 47 and name HN) (resid 47 and name HB*) 5.0 3.2 1.2
assign (resid 48 and name HN) (resid 48 and name HA) 3.3 1.5 0.2
assign (resid 48 and name HN) (resid 48 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 48 and name HN) (resid 48 and name HB*) 2.7 0.9 1.2
assign (resid 49 and name HN) (resid 49 and name HA1) 2.7 0.9 0.2
assign (resid 49 and name HN) (resid 49 and name HA2) 3.3 1.5 0.2
assign (resid 50 and name HN) (resid 50 and name HA) 3.3 1.5 0.2
assign (resid 50 and name HN) (resid 50 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 50 and name HN) (resid 50 and name HB*) 2.7 0.9 1.2
assign (resid 52 and name HN) (resid 52 and name HA) 2.7 0.9 0.2
assign (resid 53 and name HN) (resid 53 and name HA) 3.3 1.5 0.2
assign (resid 53 and name HN) (resid 53 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 53 and name HN) (resid 53 and name HB*) 2.7 0.9 1.2
assign (resid 53 and name HN) (resid 53 and name HG*) 2.7 0.9 1.2
assign (resid 54 and name HN) (resid 54 and name HA) 3.3 1.5 0.2
assign (resid 54 and name HN) (resid 54 and name HB*) 2.7 0.9 1.2
assign (resid 54 and name HN) (resid 54 and name HG*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 54 and name HN) (resid 54 and name HG*) 5.0 3.2 1.2
assign (resid 55 and name HN) (resid 55 and name HA) 3.3 1.5 0.2
!assign (resid 55 and name HN) (resid 55 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 55 and name HN) (resid 55 and name HB*) 2.7 0.9 1.2
assign (resid 55 and name HN) (resid 55 and name HD1) 2.7 0.9 0.2
assign (resid 55 and name HN) (resid 55 and name HE1) 5.0 3.2 0.2
assign (resid 56 and name HN) (resid 56 and name HA) 3.3 1.5 0.2
assign (resid 56 and name HN) (resid 56 and name HB) 2.7 0.9 0.2
assign (resid 56 and name HN) (resid 56 and name HG2#) 2.7 0.9 1.7
assign (resid 56 and name HN) (resid 56 and name HG1#) 3.3 1.5 1.7
assign (resid 56 and name HN) (resid 57 and name HA) 5.0 3.2 0.2
assign (resid 57 and name HN) (resid 56 and name HA) 5.0 3.2 0.2
assign (resid 57 and name HN) (resid 56 and name HB) 2.7 0.9 0.2
assign (resid 57 and name HN) (resid 56 and name HG2#) 3.3 1.5 1.7
assign (resid 57 and name HN) (resid 56 and name HG1#) 3.3 1.5 1.7
assign (resid 57 and name HN) (resid 57 and name HA) 2.7 0.9 0.2
assign (resid 57 and name HN) (resid 57 and name HB*) 2.7 0.9 1.2
assign (resid 57 and name HN) (resid 57 and name HG*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 57 and name HN) (resid 57 and name HG*) 2.7 0.9 1.2
assign (resid 58 and name HN) (resid 58 and name HA) 2.7 0.9 0.2
!loosen to M 12/06
assign (resid 58 and name HN) (resid 58 and name HG*) 3.3 1.5 1.2
assign (resid 59 and name HN) (resid 59 and name HA) 3.3 1.5 0.2
assign (resid 59 and name HN) (resid 59 and name HB*) 2.7 0.9 1.2
!assign (resid 59 and name HN) (resid 59 and name HB2) 2.7 0.9 0.2
!assign (resid 59 and name HN) (resid 59 and name HB1) 2.7 0.9 0.2
assign (resid 60 and name HN) (resid 60 and name HA) 3.3 1.5 0.2
!assign (resid 60 and name HN) (resid 60 and name HB*) 2.7 0.9 1.2
!assign (resid 60 and name HN) (resid 60 and name HB2) 2.7 0.9 0.2
assign (resid 60 and name HN) (resid 60 and name HG*) 2.7 0.9 1.2
assign (resid 61 and name HN) (resid 61 and name HA) 2.7 0.9 0.2
assign (resid 62 and name HN) (resid 62 and name HA) 2.7 0.9 0.2
!removed 9/8 dup
!assign (resid 62 and name HN) (resid 62 and name HB*) 3.3 1.5 1.2
assign (resid 62 and name HN) (resid 62 and name HB*) 2.7 0.9 1.2
assign (resid 63 and name HN) (resid 63 and name HA) 3.3 1.5 0.2
!removed 9/8 dup
!assign (resid 63 and name HN) (resid 63 and name HB*) 3.3 1.5 1.2
!assign (resid 63 and name HN) (resid 63 and name HB*) 2.7 0.9 1.2
assign (resid 63 and name HN) (resid 63 and name HD2#) 3.3 1.5 1.7
assign (resid 63 and name HN) (resid 63 and name HD1#) 3.3 1.5 1.7
assign (resid 63 and name HN) (resid 63 and name HG) 2.7 0.9 0.2
assign (resid 64 and name HN) (resid 64 and name HA) 3.3 1.5 0.2
assign (resid 64 and name HN) (resid 64 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 64 and name HN) (resid 64 and name HB*) 2.7 0.9 1.2
assign (resid 65 and name HN) (resid 65 and name HA) 3.3 1.5 0.2
assign (resid 65 and name HN) (resid 65 and name HB#) 2.7 0.9 1.7
assign (resid 66 and name HN) (resid 66 and name HB*) 2.7 0.9 1.2
!very OL loosened to M 11/18
assign (resid 66 and name HN) (resid 66 and name HG*) 5.0 3.2 1.2
assign (resid 67 and name HN) (resid 67 and name HB*) 2.7 0.9 1.2
assign (resid 67 and name HN) (resid 67 and name HG*) 5.0 3.2 1.2
assign (resid 68 and name HN) (resid 68 and name HB*) 2.7 0.9 1.2
assign (resid 68 and name HN) (resid 68 and name HG*) 3.3 1.5 1.2
assign (resid 69 and name HN) (resid 69 and name HB*) 2.7 0.9 1.2
assign (resid 69 and name HN) (resid 69 and name HG*) 3.3 1.5 1.2
assign (resid 70 and name HN) (resid 70 and name HB#) 2.7 0.9 1.7
!
!
!added 10/4 from 3d h20 15n nulls
assign (resid 22 and name HN) (resid 22 and name HG2#) 2.7 0.9 1.7
assign (resid 2 and name HN) (resid 2 and name HG*) 3.3 1.5 1.2
assign (resid 26 and name HN) (resid 26 and name HD2#) 3.3 1.5 1.7
assign (resid 38 and name HN) (resid 38 and name HG1*) 3.3 1.5 1.2
!loosen to M 11/29
assign (resid 8 and name HN) (resid 8 and name HB*) 3.3 1.5 1.2
assign (resid 11 and name HN) (resid 11 and name HB*) 2.7 0.9 1.2
assign (resid 14 and name HN) (resid 14 and name HG*) 2.7 0.9 1.2
assign (resid 18 and name HN) (resid 18 and name HB*) 2.7 0.9 1.2
!
!15n restraints
assign (resid 2 and name HN) (resid 1 and name HA) 2.7 0.9 0.2
assign (resid 3 and name HN) (resid 2 and name HA) 2.7 0.9 0.2
assign (resid 5 and name HN) (resid 4 and name HA) 3.3 1.5 0.2
!rem both 11/29
!assign (resid 7 and name HN) (resid 6 and name HA) 2.7 0.9 0.2
!assign (resid 7 and name HN) (resid 6 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 7 and name HN) (resid 6 and name HB*) 5.0 3.2 1.2
assign (resid 8 and name HN) (resid 7 and name HA) 2.7 0.9 0.2
assign (resid 8 and name HN) (resid 7 and name HB*) 3.3 1.5 1.2
assign (resid 9 and name HN) (resid 10 and name HN) 3.3 1.5 0.4
!rem 11/29
!assign (resid 9 and name HN) (resid 8 and name HA) 2.7 0.9 0.2
assign (resid 10 and name HN) (resid 9 and name HB*) 5.0 3.2 1.2
assign (resid 10 and name HN) (resid 9 and name HG*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 10 and name HN) (resid 9 and name HG*) 5.0 3.2 12
assign (resid 11 and name HN) (resid 10 and name HA) 2.7 0.9 0.2
assign (resid 11 and name HN) (resid 10 and name HN) 5.0 3.2 0.4
assign (resid 11 and name HN) (resid 12 and name HN) 5.0 3.2 0.4
assign (resid 12 and name HN) (resid 11 and name HA) 2.7 0.9 0.2
assign (resid 12 and name HN) (resid 11 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 12 and name HN) (resid 11 and name HB*) 3.3 1.5 1.2
assign (resid 13 and name HN) (resid 12 and name HA) 2.7 0.9 0.2
assign (resid 13 and name HN) (resid 12 and name HB) 3.3 1.5 0.2
assign (resid 13 and name HN) (resid 12 and name HG**) 3.3 1.5 2.7
assign (resid 13 and name HN) (resid 14 and name HN) 2.7 0.9 0.4
assign (resid 14 and name HN) (resid 13 and name HA) 3.3 1.5 0.2
assign (resid 14 and name HN) (resid 13 and name HB*) 3.3 1.5 1.2
assign (resid 15 and name HN) (resid 14 and name HA) 2.7 0.9 0.2
assign (resid 15 and name HN) (resid 14 and name HB*) 2.7 0.9 1.2
assign (resid 15 and name HN) (resid 14 and name HN) 5.0 3.2 0.4
assign (resid 16 and name HN) (resid 15 and name HA) 2.7 0.9 0.2
assign (resid 18 and name HN) (resid 17 and name HA) 2.7 0.9 0.2
assign (resid 18 and name HN) (resid 17 and name HB*) 3.3 1.5 1.2
assign (resid 18 and name HN) (resid 19 and name HN) 3.3 1.5 0.4
assign (resid 19 and name HN) (resid 18 and name HA) 5.0 3.2 0.2
assign (resid 19 and name HN) (resid 18 and name HB*) 2.7 0.9 1.2
assign (resid 19 and name HN) (resid 20 and name HN) 2.7 0.9 0.4
assign (resid 20 and name HN) (resid 21 and name HN) 2.7 0.9 0.4
assign (resid 21 and name HN) (resid 20 and name HA) 3.3 1.5 0.2
!assign (resid 21 and name HN) (resid 20 and name HB*) 3.3 1.5 1.2
!loosened to W 12/15
assign (resid 21 and name HN) (resid 20 and name HG*) 3.3 1.5 1.2
assign (resid 22 and name HN) (resid 21 and name HA) 2.7 0.9 0.2
assign (resid 22 and name HN) (resid 21 and name HG1#) 3.3 1.5 1.7
assign (resid 22 and name HN) (resid 23 and name HN) 2.7 0.9 0.4
assign (resid 23 and name HN) (resid 22 and name HA) 5.0 3.2 0.2
assign (resid 23 and name HN) (resid 22 and name HB) 3.3 1.5 0.2
assign (resid 24 and name HN) (resid 23 and name HA) 3.3 1.5 0.2
assign (resid 24 and name HN) (resid 23 and name HB*) 2.7 0.9 1.2
!removed 9/3 c.b. 24HN to 40 HN
!assign (resid 24 and name HN) (resid 25 and name HN) 2.7 0.9 0.4
!removed 9/3 cb 40 HN
!assign (resid 25 and name HN) (resid 24 and name HA) 2.7 0.9 0.2
assign (resid 26 and name HN) (resid 25 and name HA) 2.7 0.9 0.2
assign (resid 27 and name HN) (resid 26 and name HA) 2.7 0.9 0.2
assign (resid 27 and name HN) (resid 26 and name HB*) 3.3 1.5 1.2
assign (resid 27 and name HN) (resid 26 and name HN) 5.0 3.2 0.4
assign (resid 28 and name HN) (resid 27 and name HA) 2.7 0.9 0.2
assign (resid 29 and name HN) (resid 28 and name HA) 2.7 0.9 0.2
assign (resid 30 and name HN) (resid 29 and name HA) 3.3 1.5 0.2
assign (resid 30 and name HN) (resid 31 and name HN) 5.0 3.2 0.4
assign (resid 31 and name HN) (resid 30 and name HB*) 5.0 3.2 1.2
assign (resid 32 and name HN) (resid 31 and name HA) 3.3 1.5 0.2
assign (resid 32 and name HN) (resid 31 and name HG2#) 5.0 3.2 1.7
assign (resid 32 and name HN) (resid 31 and name HN) 2.7 0.9 0.4
assign (resid 34 and name HN) (resid 33 and name HA) 3.3 1.5 0.2
!OL loosened to M 11/22
assign (resid 34 and name HN) (resid 33 and name HB*) 3.3 1.5 1.2
!rem 11/05 back 11/08
assign (resid 35 and name HN) (resid 34 and name HN) 5.0 3.2 0.4
assign (resid 36 and name HN) (resid 35 and name HA) 2.7 0.9 0.2
assign (resid 36 and name HN) (resid 35 and name HB#) 3.3 1.5 1.7
assign (resid 37 and name HN) (resid 36 and name HA1) 2.7 0.9 0.2
assign (resid 37 and name HN) (resid 36 and name HA2) 2.7 0.9 0.2
assign (resid 38 and name HN) (resid 37 and name HG1#) 3.3 1.5 1.7
assign (resid 38 and name HN) (resid 37 and name HA) 2.7 0.9 0.2
assign (resid 38 and name HN) (resid 39 and name HN) 5.0 3.2 0.4
assign (resid 39 and name HN) (resid 38 and name HA) 2.7 0.9 0.2
!removed 9/3 cb 25HN
!assign (resid 40 and name HN) (resid 39 and name HA) 2.7 0.9 0.2
assign (resid 41 and name HN) (resid 40 and name HA) 2.7 0.9 0.2
assign (resid 41 and name HN) (resid 40 and name HB) 5.0 3.2 0.2
assign (resid 44 and name HN) (resid 43 and name HA) 3.3 1.5 0.2
!removed stereo 10/21
assign (resid 44 and name HN) (resid 43 and name HB*) 3.3 1.5 1.2
!assign (resid 44 and name HN) (resid 43 and name HB2) 3.3 1.5 0.2
!assign (resid 44 and name HN) (resid 43 and name HB1) 3.3 1.5 0.2
assign (resid 44 and name HN) (resid 45 and name HN) 3.3 1.5 0.4
!changed 9/16 from Ha1 and Ha2 to HA*
assign (resid 45 and name HN) (resid 44 and name HA*) 3.3 1.5 1.2
!assign (resid 45 and name HN) (resid 44 and name HA2) 3.3 1.5 0.2
assign (resid 45 and name HN) (resid 46 and name HN) 5.0 3.2 0.4
assign (resid 47 and name HN) (resid 46 and name HA) 2.7 0.9 0.2
assign (resid 47 and name HN) (resid 46 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 47 and name HN) (resid 46 and name HB*) 3.3 1.5 1.2
assign (resid 47 and name HN) (resid 46 and name HN) 3.3 1.5 0.4
assign (resid 48 and name HN) (resid 47 and name HA) 2.7 0.9 0.2
assign (resid 48 and name HN) (resid 47 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 48 and name HN) (resid 47 and name HB*) 3.3 1.5 1.2
assign (resid 48 and name HN) (resid 47 and name HN) 5.0 3.2 0.4
assign (resid 49 and name HN) (resid 48 and name HA) 2.7 0.9 0.2
!removed 9/8 dup
!assign (resid 49 and name HN) (resid 48 and name HB*) 5.0 3.2 1.2
assign (resid 49 and name HN) (resid 48 and name HB*) 3.3 1.5 1.2
assign (resid 50 and name HN) (resid 49 and name HA1) 2.7 0.9 0.2
assign (resid 50 and name HN) (resid 49 and name HA2) 2.7 0.9 0.2
assign (resid 50 and name HN) (resid 49 and name HN) 5.0 3.2 0.4
assign (resid 53 and name HN) (resid 52 and name HA) 3.3 1.5 0.2
assign (resid 53 and name HN) (resid 52 and name HN) 2.7 0.9 0.4
assign (resid 54 and name HN) (resid 53 and name HA) 2.7 0.9 0.2
assign (resid 54 and name HN) (resid 53 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 54 and name HN) (resid 53 and name HB*) 3.3 1.5 1.2
assign (resid 54 and name HN) (resid 53 and name HN) 5.0 3.2 0.4
assign (resid 54 and name HN) (resid 55 and name HN) 3.3 1.5 0.4
assign (resid 55 and name HN) (resid 54 and name HA) 5.0 3.2 0.2
assign (resid 55 and name HN) (resid 54 and name HB*) 2.7 0.9 1.2
assign (resid 55 and name HN) (resid 54 and name HG*) 5.0 3.2 1.2
!removed 9/8 dup
!assign (resid 55 and name HN) (resid 54 and name HG*) 5.0 3.2 1.2
assign (resid 55 and name HN) (resid 56 and name HG2#) 3.3 1.5 1.7
!removed 9/8 dup
!assign (resid 55 and name HN) (resid 56 and name HG2#) 3.3 1.5 1.7
assign (resid 58 and name HN) (resid 57 and name HA) 5.0 3.2 0.2
assign (resid 58 and name HN) (resid 57 and name HN) 3.3 1.5 0.4
assign (resid 59 and name HN) (resid 58 and name HA) 5.0 3.2 0.2
assign (resid 59 and name HN) (resid 58 and name HG*) 3.3 1.5 1.2
assign (resid 59 and name HN) (resid 58 and name HN) 3.3 1.5 0.4
assign (resid 59 and name HN) (resid 60 and name HN) 3.3 1.5 0.4
assign (resid 60 and name HN) (resid 59 and name HA) 3.3 1.5 0.2
assign (resid 60 and name HN) (resid 59 and name HB*) 3.3 1.5 1.2
!assign (resid 60 and name HN) (resid 59 and name HB2) 3.3 1.5 0.2
!assign (resid 60 and name HN) (resid 59 and name HB1) 3.3 1.5 0.2
assign (resid 60 and name HN) (resid 61 and name HN) 3.3 1.5 0.4
assign (resid 61 and name HN) (resid 60 and name HA) 5.0 3.2 0.2
assign (resid 62 and name HN) (resid 61 and name HA) 5.0 3.2 0.2
assign (resid 62 and name HN) (resid 61 and name HB*) 2.7 0.9 1.2
assign (resid 62 and name HN) (resid 61 and name HN) 3.3 1.5 0.4
assign (resid 63 and name HN) (resid 62 and name HA) 5.0 3.2 0.2
assign (resid 63 and name HN) (resid 62 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 63 and name HN) (resid 62 and name HB*) 3.3 1.5 1.2
assign (resid 63 and name HN) (resid 64 and name HN) 2.7 0.9 0.4
assign (resid 64 and name HN) (resid 63 and name HA) 3.3 1.5 0.2
!rem stereo 10/28
!assign (resid 64 and name HN) (resid 63 and name HB1) 3.3 1.5 0.2
!assign (resid 64 and name HN) (resid 63 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup added back 9/17 as stereo assigns
!assign (resid 64 and name HN) (resid 63 and name HB2) 3.3 1.5 0.2
assign (resid 64 and name HN) (resid 63 and name HD2#) 5.0 3.2 1.7
assign (resid 64 and name HN) (resid 63 and name HD1#) 5.0 3.2 1.7
assign (resid 64 and name HN) (resid 63 and name HG) 5.0 3.2 0.2
assign (resid 64 and name HN) (resid 65 and name HN) 3.3 1.5 0.4
assign (resid 65 and name HN) (resid 64 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 65 and name HN) (resid 64 and name HB*) 3.3 1.5 1.2
assign (resid 65 and name HN) (resid 66 and name HN) 2.7 0.9 0.4
!9/13 changed from S to M
assign (resid 67 and name HN) (resid 66 and name HA) 3.3 1.5 0.2
assign (resid 67 and name HN) (resid 66 and name HB*) 2.7 0.9 1.2
assign (resid 67 and name HN) (resid 66 and name HG*) 3.3 1.5 1.2
assign (resid 67 and name HN) (resid 66 and name HN) 2.7 0.9 0.4
assign (resid 68 and name HN) (resid 67 and name HB*) 3.3 1.5 1.2
assign (resid 68 and name HN) (resid 67 and name HN) 3.3 1.5 0.4
assign (resid 70 and name HN) (resid 69 and name HA) 2.7 0.9 0.2
assign (resid 71 and name HN) (resid 70 and name HA) 3.3 1.5 0.2
assign (resid 71 and name HN) (resid 70 and name HB#) 5.0 3.2 1.7
assign (resid 73 and name HN) (resid 72 and name HA) 5.0 3.2 0.2
!added back 9/13
!added 6/15
assign (resid 57 and name HN) (resid 56 and name HN) 2.7 0.9 0.4
assign (resid 55 and name HN) (resid 56 and name HN) 3.3 1.5 0.4
!added 6/18
assign (resid 33 and name HN) (resid 34 and name HN) 3.3 1.5 0.4
!
!
!added 10/04
assign (resid 15 and name HN) (resid 14 and name HG*) 5.0 3.2 1.2
assign (resid 20 and name HN) (resid 21 and name HG2#) 3.3 1.5 1.7
assign (resid 23 and name HN) (resid 22 and name HG2#) 2.7 0.9 1.7
assign (resid 27 and name HN) (resid 26 and name HD2#) 3.3 1.5 1.7
!
!15N restraints
assign (resid 14 and name HN) (resid 12 and name HB) 3.3 1.5 0.2
assign (resid 19 and name HN) (resid 17 and name HB*) 5.0 3.2 1.2
assign (resid 20 and name HN) (resid 18 and name HA) 5.0 3.2 0.2
assign (resid 21 and name HN) (resid 18 and name HA) 5.0 3.2 0.2
assign (resid 34 and name HN) (resid 32 and name HB*) 5.0 3.2 1.2
!removed 9/8 dup
!assign (resid 34 and name HN) (resid 32 and name HB*) 5.0 3.2 1.2
assign (resid 41 and name HN) (resid 45 and name HN) 5.0 3.2 0.4
!removed 11/14 loosen to M 11/15
assign (resid 41 and name HN) (resid 46 and name HA) 3.3 1.5 0.2
assign (resid 44 and name HN) (resid 42 and name HA) 5.0 3.2 0.2
assign (resid 52 and name HN) (resid 56 and name HG1#) 5.0 3.2 1.7
assign (resid 53 and name HN) (resid 56 and name HG2#) 3.3 1.5 1.7
assign (resid 53 and name HN) (resid 56 and name HG1#) 5.0 3.2 1.7
assign (resid 54 and name HN) (resid 56 and name HG2#) 5.0 3.2 1.7
assign (resid 55 and name HN) (resid 53 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 55 and name HN) (resid 53 and name HB*) 3.3 1.5 1.2
assign (resid 58 and name HN) (resid 56 and name HG2#) 5.0 3.2 1.7
assign (resid 59 and name HN) (resid 56 and name HA) 5.0 3.2 0.2
!changed 7/14 from 3.3 1.5 0.7 to 5.0 3.2 0.7
assign (resid 59 and name HN) (resid 56 and name HG2#) 5.0 3.2 1.7
assign (resid 59 and name HN) (resid 56 and name HG1#) 5.0 3.2 1.7
assign (resid 59 and name HN) (resid 57 and name HN) 5.0 3.2 0.4
assign (resid 60 and name HN) (resid 56 and name HA) 5.0 3.2 0.2
assign (resid 60 and name HN) (resid 57 and name HA) 5.0 3.2 0.2
assign (resid 60 and name HN) (resid 58 and name HN) 5.0 3.2 0.4
assign (resid 61 and name HN) (resid 59 and name HN) 5.0 3.2 0.4
!very OL loosened to M 11/18
assign (resid 62 and name HN) (resid 59 and name HA) 3.3 1.5 0.2
assign (resid 62 and name HN) (resid 64 and name HN) 5.0 3.2 0.4
assign (resid 63 and name HN) (resid 60 and name HA) 5.0 3.2 0.2
assign (resid 64 and name HN) (resid 61 and name HA) 5.0 3.2 0.2
assign (resid 65 and name HN) (resid 62 and name HA) 3.3 1.5 0.2
!
!added back 9/13
!added 6/18
!rem 11/05 back 11/08 rem again 11/22
!assign (resid 35 and name HN) (resid 33 and name HN) 2.7 0.9 0.4
!added 6/24
assign (resid 61 and name HN) (resid 58 and name HG*) 5.0 3.2 1.2
!switched to M- 7/12 was OL with 23HB1
!rem 10/29  is 40 B- added 10/29
!assign (resid 23 and name HN) (resid 21 and name HA) 3.3 1.5 0.2
!
!
!added 10/4
assign (resid 23 and name HN) (resid 21 and name HG1#) 2.7 0.9 1.7
assign (resid 39 and name HN) (resid 37 and name HG1#) 5.0 3.2 1.7
assign (resid 43 and name HN) (resid 41 and name HG2#) 5.0 3.2 1.7
assign (resid 45 and name HN) (resid 41 and name HG2#) 3.3 1.5 1.7
!rem 10/28 is 46N not 42N I added 42N 10/20
!assign (resid 42 and name HN) (resid 45 and name HB*) 2.7 0.9 1.2
!loosened to W 10/29
!rem 11/05
!assign (resid 35 and name HN) (resid 33 and name HB*) 5.0 3.2 1.2
!
!15n restraints
assign (resid 22 and name HN) (resid 41 and name HA) 3.3 1.5 0.2
assign (resid 23 and name HN) (resid 41 and name HA) 5.0 3.2 0.2
assign (resid 24 and name HN) (resid 37 and name HG1#) 5.0 3.2 1.7
!changed 9/7 from W to VW 
assign (resid 24 and name HN) (resid 56 and name HG1#) 6.0 4.2 1.7
assign (resid 27 and name HN) (resid 36 and name HN) 5.0 3.2 0.4
assign (resid 27 and name HN) (resid 37 and name HA) 5.0 3.2 0.2
assign (resid 27 and name HN) (resid 37 and name HG1#) 3.3 1.5 1.7
assign (resid 36 and name HN) (resid 27 and name HB*) 3.3 1.5 1.2
assign (resid 37 and name HN) (resid 56 and name HG2#) 3.3 1.5 1.7
assign (resid 37 and name HN) (resid 56 and name HG1#) 5.0 3.2 1.7
assign (resid 38 and name HN) (resid 25 and name HN) 3.3 1.5 0.4
assign (resid 38 and name HN) (resid 26 and name HA) 5.0 3.2 0.2
assign (resid 39 and name HN) (resid 47 and name HN) 3.3 1.5 0.4
assign (resid 39 and name HN) (resid 48 and name HA) 3.3 1.5 0.2
assign (resid 40 and name HN) (resid 23 and name HN) 3.3 1.5 0.4
assign (resid 47 and name HN) (resid 40 and name HA) 3.3 1.5 0.2
assign (resid 49 and name HN) (resid 37 and name HB) 3.3 1.5 0.2
assign (resid 49 and name HN) (resid 37 and name HG1#) 5.0 3.2 1.7
assign (resid 49 and name HN) (resid 37 and name HN) 3.3 1.5 0.4
assign (resid 49 and name HN) (resid 38 and name HA) 3.3 1.5 0.2
assign (resid 49 and name HN) (resid 56 and name HG2#) 3.3 1.5 1.7
assign (resid 49 and name HN) (resid 56 and name HG1#) 5.0 3.2 1.7
assign (resid 50 and name HN) (resid 56 and name HG2#) 3.3 1.5 1.7
assign (resid 50 and name HN) (resid 56 and name HG1#) 5.0 3.2 1.7
!
!
!added in 10/4 from nulls based on 3d H2O NOESY and structure 
assign (resid 23 and name HN) (resid 63 and name HD1#) 5.0 3.2 1.7
!rem 11/05
!assign (resid 27 and name HN) (resid 35 and name HB#) 5.0 3.2 1.7
assign (resid 41 and name HN) (resid 16 and name HD#) 5.0 3.2 1.7
!changed to 12HG** 11/04
assign (resid 48 and name HN) (resid 12 and name HG**) 3.3 1.5 2.7
!assign (resid 48 and name HN) (resid 12 and name HG2#) 3.3 1.5 1.7
!
!added 6/18
assign (resid 60 and name HN) (resid 39 and name HE*) 5.0 3.2 1.2
!added 6/18
assign (resid 60 and name HN) (resid 39 and name HZ) 5.0 3.2 0.2
assign (resid 55 and name HE1) (resid 12 and name HG2#) 3.3 1.5 1.5
assign (resid 54 and name HN) (resid 55 and name HD1) 5.0 3.2 0.2
assign (resid 56 and name HN) (resid 55 and name HD1) 5.0 3.2 0.2
!removed 8/30 dup
!assign (resid 56 and name HN) (resid 55 and name HD1) 5.0 3.2 0.2
!55HE1
assign (resid 55 and name HE1) (resid 55 and name HD1) 2.7 0.9 0.0
assign (resid 55 and name HE1) (resid 55 and name HZ2) 2.7 0.9 0.0
!
!added 10/20
assign (resid 43 and name HN) (resid 42 and name HA) 3.3 1.5 0.2
assign (resid 42 and name HN) (resid 22 and name HG2#) 3.3 1.5 1.7
assign (resid 42 and name HN) (resid 22 and name HG1#) 3.3 1.5 1.7
assign (resid 42 and name HN) (resid 41 and name HG2#) 3.3 1.5 1.7
assign (resid 42 and name HN) (resid 42 and name HG*) 2.7 0.9 1.2
assign (resid 42 and name HN) (resid 42 and name HA) 2.7 0.9 0.2
assign (resid 42 and name HN) (resid 41 and name HA) 2.7 0.9 0.2
assign (resid 70 and name HN) (resid 69 and name HB*) 5.0 3.2 1.2
assign (resid 28 and name HN) (resid 38 and name HD#) 5.0 3.2 1.7
!
!added 10/29 was assigned as 21a but simul noesy says 40b
assign (resid 23 and name HN) (resid 40 and name HB) 3.3 1.5 0.2
!added 11/12
assign (resid 43 and name HN) (resid 42 and name HN) 3.3 1.5 0.4
assign (resid 43 and name HN) (resid 41 and name HA) 5.0 3.2 0.2
assign (resid 42 and name HN) (resid 22 and name HN) 5.0 3.2 0.4
!rem 11/14 for now loosen to W 11/15
assign (resid 42 and name HN) (resid 41 and name HN) 5.0 3.2 0.4
assign (resid 41 and name HN) (resid 22 and name HN) 5.0 3.2 0.4
assign (resid 44 and name HN) (resid 43 and name HG*) 5.0 3.2 1.2
assign (resid 44 and name HN) (resid 40 and name HG2#) 5.0 3.2 1.7
assign (resid 44 and name HN) (resid 41 and name HG2#) 5.0 3.2 1.7
assign (resid 23 and name HN) (resid 40 and name HG2#) 5.0 3.2 1.7
assign (resid 8 and name HN) (resid 38 and name HD#) 5.0 3.2 1.7
assign (resid 27 and name HN) (resid 38 and name HD#) 3.3 1.5 1.7
assign (resid 39 and name HN) (resid 38 and name HG1*) 5.0 3.2 1.2
assign (resid 41 and name HN) (resid 22 and name HG2#) 3.3 1.5 1.7
assign (resid 32 and name HN) (resid 29 and name HG*) 5.0 3.2 1.2
assign (resid 37 and name HN) (resid 11 and name HE*) 5.0 3.2 2.2
!added back from removed list 11/09
assign (resid 12 and name HN) (resid 49 and name HA*) 5.0 3.2 0.2
assign (resid 47 and name HN) (resid 39 and name HB*) 5.0 3.2 0.2
!added 11/18
assign (resid 8 and name HN) (resid 27 and name HB*) 5.0 3.2 1.2
!switched from 26g to 26b 12/08 by spectrum and changedto M
assign (resid 27 and name HN) (resid 26 and name HB*) 3.3 1.5 1.2
assign (resid 41 and name HN) (resid 21 and name HG1#) 5.0 3.2 1.7
assign (resid 50 and name HN) (resid 12 and name HG**) 5.0 3.2 2.7
assign (resid 52 and name HN) (resid 52 and name HG*) 2.7 0.9 1.2
assign (resid 53 and name HN) (resid 52 and name HG*) 5.0 3.2 1.2
!added 11/29
assign (resid 29 and name HN) (resid 35 and name HB#) 5.0 3.2 1.7
assign (resid 31 and name HN) (resid 29 and name HB*) 5.0 3.2 1.2
assign (resid 31 and name HN) (resid 29 and name HG*) 5.0 3.2 1.2
assign (resid 32 and name HN) (resid 29 and name HB*) 5.0 3.2 1.2
!added 11/30
assign (resid 48 and name HN) (resid 38 and name HG2#) 5.0 3.2 1.7
!added 12/06
assign (resid 11 and name HN) (resid 11 and name HD*) 5.0 3.2 2.2
assign (resid 12 and name HN) (resid 11 and name HD*) 3.3 1.5 2.2
assign (resid 34 and name HN) (resid 34 and name HB*) 2.7 0.9 1.2
!added 12/07
assign (resid 34 and name HN) (resid 33 and name HD**) 5.0 3.2 2.7
!added 12/08 were s.b. added 1203b
assign (resid 24 and name HN) (resid 63 and name HD1#) 3.3 1.5 1.7
assign (resid 18 and name HN) (resid 21 and name HG2#) 3.3 1.5 1.7
assign (resid 37 and name HN) (resid 51 and name HA) 5.0 3.2 0.2
assign (resid 41 and name HN) (resid 46 and name HB*) 5.0 3.2 1.2
assign (resid 38 and name HN) (resid 26 and name HD2#) 3.3 1.5 1.7
!added 12/13
assign (resid 55 and name HE1) (resid 15 and name HA) 3.3 1.5 0.2
assign (resid 55 and name HE1) (resid 15 and name HB*) 3.3 1.5 1.2
assign (resid 55 and name HE1) (resid 53 and name HB*) 3.3 1.5 1.2
assign (resid 55 and name HE1) (resid 53 and name HG*) 3.3 1.5 1.2
assign (resid 10 and name HN) (resid 10 and name HB1) 3.3 1.5 0.2
assign (resid 10 and name HN) (resid 10 and name HB2) 5.0 3.2 0.2
!loosen to M 12/15
assign (resid 20 and name HN) (resid 20 and name HB1) 3.3 1.5 0.2
assign (resid 20 and name HN) (resid 20 and name HB2) 2.7 0.9 0.2
assign (resid 21 and name HN) (resid 20 and name HB2) 3.3 1.5 0.2
assign (resid 24 and name HN) (resid 24 and name HB1) 5.0 3.2 0.2
assign (resid 24 and name HN) (resid 24 and name HB2) 3.3 1.5 0.2
assign (resid 55 and name HN) (resid 55 and name HB1) 2.7 0.9 0.2
assign (resid 55 and name HN) (resid 55 and name HB2) 3.3 1.5 0.2
!loosen to W 12/16
assign (resid 60 and name HN) (resid 60 and name HB1) 3.3 1.5 0.2
assign (resid 64 and name HN) (resid 63 and name HB1) 3.3 1.5 0.2
assign (resid 64 and name HN) (resid 63 and name HB2) 3.3 1.5 0.2
assign (resid 63 and name HN) (resid 63 and name HB1) 3.3 1.5 0.2
assign (resid 63 and name HN) (resid 63 and name HB2) 3.3 1.5 0.2
assign (resid 22 and name HN) (resid 40 and name O) 2.3 0.6 0.0
assign (resid 39 and name HN) (resid 47 and name O) 2.3 0.6 0.0
assign (resid 53 and name HN) (resid 50 and name O) 2.3 0.6 0.0
assign (resid 59 and name HN) (resid 55 and name O) 2.3 0.6 0.0
assign (resid 60 and name HN) (resid 56 and name O) 2.3 0.6 0.0
assign (resid 63 and name HN) (resid 59 and name O) 2.3 0.6 0.0
assign (resid 64 and name HN) (resid 60 and name O) 2.3 0.6 0.0
!added 11/06
!assign (resid 21 and name HN) (resid 17 and name O) 2.3 0.6 0.0
assign (resid 38 and name HN) (resid 25 and name O) 2.3 0.6 0.0
!rem 11/21- don't see
!assign (resid 65 and name HN) (resid 62 and name O) 2.3 0.6 0.0
!added 11/11
assign (resid 12 and name HN) (resid 48 and name O) 2.3 0.6 0.0
!added 11/22
assign (resid 37 and name HN) (resid 49 and name O) 2.3 0.6 0.0
assign (resid 58 and name HN) (resid 54 and name O) 2.3 0.6 0.0
assign (resid 61 and name HN) (resid 57 and name O) 2.3 0.6 0.0
!
assign (resid 22 and name N) (resid 40 and name O) 3.3 0.9 0.0
assign (resid 39 and name N) (resid 47 and name O) 3.3 0.9 0.0
assign (resid 53 and name N) (resid 50 and name O) 3.3 0.9 0.0
assign (resid 59 and name N) (resid 55 and name O) 3.3 0.9 0.0
assign (resid 60 and name N) (resid 56 and name O) 3.3 0.9 0.0
assign (resid 63 and name N) (resid 59 and name O) 3.3 0.9 0.0
assign (resid 64 and name N) (resid 60 and name O) 3.3 0.9 0.0
!added 11/06
!assign (resid 21 and name N) (resid 17 and name O) 3.3 0.9 0.0
assign (resid 38 and name N) (resid 25 and name O) 3.3 0.9 0.0
!rem 11/21- don't see
!assign (resid 65 and name N) (resid 62 and name O) 3.3 0.9 0.0
!added 11/11
assign (resid 12 and name N) (resid 48 and name O) 3.3 0.9 0.0
!added 11/22
assign (resid 37 and name N) (resid 49 and name O) 3.3 0.9 0.0
assign (resid 58 and name N) (resid 54 and name O) 3.3 0.9 0.0
assign (resid 61 and name N) (resid 57 and name O) 3.3 0.9 0.0
set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
    1   1H    VAL   1          HT1       VAL   1  -6.229   7.354   6.928
    2   2H    VAL   1          HT2       VAL   1  -6.791   8.722   7.763
    3   3H    VAL   1          HT3       VAL   1  -6.636   7.235   8.570
    4    HA   VAL   1           HA       VAL   1  -4.817   8.971   8.968
    5    HB   VAL   1           HB       VAL   1  -4.843   6.565   9.602
    6   1HG1  VAL   1          HG11      VAL   1  -3.527   6.147   6.901
    7   2HG1  VAL   1          HG12      VAL   1  -5.192   5.707   7.282
    8   3HG1  VAL   1          HG13      VAL   1  -3.857   4.905   8.109
    9   1HG2  VAL   1          HG21      VAL   1  -2.158   7.337   8.427
   10   2HG2  VAL   1          HG22      VAL   1  -2.460   6.326   9.840
   11   3HG2  VAL   1          HG23      VAL   1  -2.805   8.054   9.902
   12    H    VAL   2           HN       VAL   2  -2.507   9.264   8.073
   13    HA   VAL   2           HA       VAL   2  -2.303   9.067   5.115
   14    HB   VAL   2           HB       VAL   2  -3.502  11.161   5.548
   15   1HG1  VAL   2          HG11      VAL   2  -1.896  11.196   7.871
   16   2HG1  VAL   2          HG12      VAL   2  -3.099  12.393   7.389
   17   3HG1  VAL   2          HG13      VAL   2  -1.410  12.603   6.926
   18   1HG2  VAL   2          HG21      VAL   2  -2.241  12.349   4.064
   19   2HG2  VAL   2          HG22      VAL   2  -1.218  10.913   4.053
   20   3HG2  VAL   2          HG23      VAL   2  -0.806  12.282   5.086
   21    H    ILE   3           HN       ILE   3  -0.338   8.184   4.862
   22    HA   ILE   3           HA       ILE   3   1.778   8.264   6.812
   23    HB   ILE   3           HB       ILE   3   1.498   6.430   5.271
   24   1HG1  ILE   3          HG12      ILE   3   3.765   7.008   3.792
   25   2HG1  ILE   3          HG11      ILE   3   3.936   8.064   5.195
   26   1HG2  ILE   3          HG21      ILE   3   1.276   8.648   3.313
   27   2HG2  ILE   3          HG22      ILE   3   0.433   7.100   3.363
   28   3HG2  ILE   3          HG23      ILE   3   2.079   7.188   2.737
   29   1HD1  ILE   3          HD11      ILE   3   3.003   5.368   5.877
   30   2HD1  ILE   3          HD12      ILE   3   4.293   6.328   6.601
   31   3HD1  ILE   3          HD13      ILE   3   4.604   5.390   5.140
   32    HA   PRO   4           HA       PRO   4   3.506  12.181   5.697
   33   1HB   PRO   4          HB2       PRO   4   5.974  11.866   6.839
   34   2HB   PRO   4          HB1       PRO   4   4.504  12.188   7.780
   35   1HG   PRO   4          HG2       PRO   4   5.935   9.619   7.328
   36   2HG   PRO   4          HG1       PRO   4   5.133  10.225   8.785
   37   1HD   PRO   4          HD2       PRO   4   4.028   8.376   7.105
   38   2HD   PRO   4          HD1       PRO   4   3.077   9.483   8.119
   39    H    SER   5           HN       SER   5   6.536  10.405   5.694
   40    HA   SER   5           HA       SER   5   6.565   9.929   2.809
   41   1HB   SER   5          HB2       SER   5   6.905  12.510   3.544
   42   2HB   SER   5          HB1       SER   5   8.572  11.952   3.669
   43    HG   SER   5           HG       SER   5   7.695  12.749   1.537
   44    HA   PRO   6           HA       PRO   6   9.785   7.911   5.623
   45   1HB   PRO   6          HB2       PRO   6   8.680   5.418   5.778
   46   2HB   PRO   6          HB1       PRO   6   8.339   6.703   6.953
   47   1HG   PRO   6          HG2       PRO   6   6.715   5.765   4.650
   48   2HG   PRO   6          HG1       PRO   6   6.200   6.279   6.263
   49   1HD   PRO   6          HD2       PRO   6   6.015   7.858   4.047
   50   2HD   PRO   6          HD1       PRO   6   6.192   8.495   5.697
   51    H    CYS   7           HN       CYS   7  10.381   5.236   4.937
   52    HA   CYS   7           HA       CYS   7  10.410   5.117   1.966
   53   1HB   CYS   7          HB2       CYS   7  12.402   6.400   3.251
   54   2HB   CYS   7          HB1       CYS   7  13.014   4.750   3.372
   55    H    CYS   8           HN       CYS   8  12.264   3.055   1.703
   56    HA   CYS   8           HA       CYS   8  11.383   0.896   3.563
   57   1HB   CYS   8          HB2       CYS   8  10.875   1.193   0.615
   58   2HB   CYS   8          HB1       CYS   8  11.054  -0.422   1.301
   59    H    MET   9           HN       MET   9  12.580  -1.248   2.649
   60    HA   MET   9           HA       MET   9  15.423  -0.456   2.094
   61   1HB   MET   9          HB2       MET   9  14.892  -1.339   4.376
   62   2HB   MET   9          HB1       MET   9  14.318  -2.831   3.630
   63   1HG   MET   9          HG2       MET   9  16.424  -3.583   3.233
   64   2HG   MET   9          HG1       MET   9  16.995  -1.992   2.731
   65   1HE   MET   9          HE1       MET   9  15.359  -3.786   5.381
   66   2HE   MET   9          HE2       MET   9  15.584  -2.753   6.790
   67   3HE   MET   9          HE3       MET   9  16.651  -4.132   6.538
   68    H    PHE  10           HN       PHE  10  12.829  -2.781   1.439
   69    HA   PHE  10           HA       PHE  10  14.236  -3.557  -1.072
   70   1HB   PHE  10          HB2       PHE  10  13.960  -5.917  -0.531
   71   2HB   PHE  10          HB1       PHE  10  14.798  -5.134   0.809
   72    HD1  PHE  10           HD1      PHE  10  13.441  -4.390   2.834
   73    HD2  PHE  10           HD2      PHE  10  11.867  -6.985  -0.205
   74    HE1  PHE  10           HE1      PHE  10  11.646  -5.115   4.383
   75    HE2  PHE  10           HE2      PHE  10  10.072  -7.711   1.344
   76    HZ   PHE  10           HZ       PHE  10   9.961  -6.776   3.639
   77    H    PHE  11           HN       PHE  11  12.667  -4.899  -2.472
   78    HA   PHE  11           HA       PHE  11   9.943  -3.700  -2.246
   79   1HB   PHE  11          HB2       PHE  11  11.846  -4.286  -4.340
   80   2HB   PHE  11          HB1       PHE  11  10.320  -5.098  -4.684
   81    HD1  PHE  11           HD1      PHE  11   8.375  -3.243  -3.430
   82    HD2  PHE  11           HD2      PHE  11  11.862  -2.432  -5.803
   83    HE1  PHE  11           HE1      PHE  11   7.387  -1.085  -4.144
   84    HE2  PHE  11           HE2      PHE  11  10.873  -0.274  -6.516
   85    HZ   PHE  11           HZ       PHE  11   8.636   0.401  -5.687
   86    H    VAL  12           HN       VAL  12   8.111  -5.035  -2.121
   87    HA   VAL  12           HA       VAL  12   8.184  -7.538  -0.890
   88    HB   VAL  12           HB       VAL  12   5.877  -7.771  -2.014
   89   1HG1  VAL  12          HG11      VAL  12   5.580  -6.808   0.030
   90   2HG1  VAL  12          HG12      VAL  12   5.271  -5.358  -0.925
   91   3HG1  VAL  12          HG13      VAL  12   6.867  -5.631  -0.227
   92   1HG2  VAL  12          HG21      VAL  12   5.106  -6.090  -3.448
   93   2HG2  VAL  12          HG22      VAL  12   6.776  -6.279  -3.982
   94   3HG2  VAL  12          HG23      VAL  12   6.336  -4.940  -2.922
   95    H    SER  13           HN       SER  13   8.383  -9.672  -1.620
   96    HA   SER  13           HA       SER  13   9.776 -10.239  -4.040
   97   1HB   SER  13          HB2       SER  13   8.009 -11.940  -2.250
   98   2HB   SER  13          HB1       SER  13   9.098 -12.591  -3.471
   99    HG   SER  13           HG       SER  13   9.753 -12.168  -1.070
  100    H    LYS  14           HN       LYS  14   6.426  -9.650  -3.412
  101    HA   LYS  14           HA       LYS  14   5.754  -9.763  -6.238
  102   1HB   LYS  14          HB2       LYS  14   4.196 -11.667  -6.039
  103   2HB   LYS  14          HB1       LYS  14   5.831 -12.167  -5.608
  104   1HG   LYS  14          HG2       LYS  14   5.285 -11.852  -3.212
  105   2HG   LYS  14          HG1       LYS  14   3.639 -11.399  -3.657
  106   1HD   LYS  14          HD2       LYS  14   3.048 -13.552  -4.217
  107   2HD   LYS  14          HD1       LYS  14   4.679 -13.975  -4.740
  108   1HE   LYS  14          HE2       LYS  14   5.433 -14.102  -2.407
  109   2HE   LYS  14          HE1       LYS  14   3.825 -13.600  -1.845
  110   1HZ   LYS  14          HZ1       LYS  14   4.336 -15.965  -3.570
  111   2HZ   LYS  14          HZ2       LYS  14   2.849 -15.506  -2.889
  112   3HZ   LYS  14          HZ3       LYS  14   4.114 -16.045  -1.891
  113    H    ARG  15           HN       ARG  15   2.930 -10.222  -5.798
  114    HA   ARG  15           HA       ARG  15   2.222  -7.608  -4.641
  115   1HB   ARG  15          HB2       ARG  15   0.010  -8.194  -5.580
  116   2HB   ARG  15          HB1       ARG  15   1.285  -8.472  -6.767
  117   1HG   ARG  15          HG2       ARG  15   0.863 -10.811  -5.088
  118   2HG   ARG  15          HG1       ARG  15  -0.615 -10.336  -5.925
  119   1HD   ARG  15          HD2       ARG  15   1.370 -10.066  -7.875
  120   2HD   ARG  15          HD1       ARG  15   1.790 -11.565  -7.022
  121    HE   ARG  15           HE       ARG  15  -1.068 -11.241  -7.664
  122   1HH1  ARG  15          HH11      ARG  15   0.662 -11.421 -10.184
  123   2HH1  ARG  15          HH12      ARG  15   0.627 -13.127 -10.484
  124   1HH2  ARG  15          HH21      ARG  15  -0.536 -13.927  -7.317
  125   2HH2  ARG  15          HH22      ARG  15  -0.051 -14.546  -8.860
  126    H    ILE  16           HN       ILE  16  -0.411  -8.417  -3.731
  127    HA   ILE  16           HA       ILE  16   0.157 -10.202  -1.404
  128    HB   ILE  16           HB       ILE  16  -1.346  -7.684  -0.880
  129   1HG1  ILE  16          HG12      ILE  16   1.632  -7.739  -1.460
  130   2HG1  ILE  16          HG11      ILE  16   0.410  -6.743  -2.247
  131   1HG2  ILE  16          HG21      ILE  16   0.176  -9.707   0.533
  132   2HG2  ILE  16          HG22      ILE  16  -0.970  -8.528   1.169
  133   3HG2  ILE  16          HG23      ILE  16   0.725  -8.090   0.969
  134   1HD1  ILE  16          HD11      ILE  16   0.034  -5.483  -0.214
  135   2HD1  ILE  16          HD12      ILE  16   1.771  -5.514  -0.516
  136   3HD1  ILE  16          HD13      ILE  16   1.071  -6.572   0.708
  137    HA   PRO  17           HA       PRO  17  -4.043 -11.300  -2.204
  138   1HB   PRO  17          HB2       PRO  17  -4.717 -12.452   0.173
  139   2HB   PRO  17          HB1       PRO  17  -3.616 -13.209  -0.993
  140   1HG   PRO  17          HG2       PRO  17  -3.031 -11.957   1.581
  141   2HG   PRO  17          HG1       PRO  17  -2.090 -13.127   0.653
  142   1HD   PRO  17          HD2       PRO  17  -1.672 -10.316   0.860
  143   2HD   PRO  17          HD1       PRO  17  -0.760 -11.483  -0.120
  144    H    GLU  18           HN       GLU  18  -5.513  -9.625  -2.374
  145    HA   GLU  18           HA       GLU  18  -5.954  -7.435  -0.752
  146   1HB   GLU  18          HB2       GLU  18  -7.014  -8.328  -2.995
  147   2HB   GLU  18          HB1       GLU  18  -8.289  -8.914  -1.927
  148   1HG   GLU  18          HG2       GLU  18  -7.738  -6.278  -1.085
  149   2HG   GLU  18          HG1       GLU  18  -7.795  -6.219  -2.847
  150    H    ASN  19           HN       ASN  19  -7.002 -10.735  -0.108
  151    HA   ASN  19           HA       ASN  19  -8.943 -10.082   1.939
  152   1HB   ASN  19          HB2       ASN  19  -8.047 -12.306   0.508
  153   2HB   ASN  19          HB1       ASN  19  -7.597 -12.663   2.176
  154   1HD2  ASN  19          HD21      ASN  19  -9.641 -14.188   0.972
  155   2HD2  ASN  19          HD22      ASN  19 -11.133 -13.783   1.674
  156    H    ARG  20           HN       ARG  20  -5.570  -9.786   1.911
  157    HA   ARG  20           HA       ARG  20  -5.417 -10.106   4.883
  158   1HB   ARG  20          HB2       ARG  20  -3.436 -10.448   2.624
  159   2HB   ARG  20          HB1       ARG  20  -2.956 -10.432   4.315
  160   1HG   ARG  20          HG2       ARG  20  -4.981 -12.213   4.445
  161   2HG   ARG  20          HG1       ARG  20  -4.435 -12.503   2.793
  162   1HD   ARG  20          HD2       ARG  20  -2.117 -12.833   3.622
  163   2HD   ARG  20          HD1       ARG  20  -2.692 -12.590   5.283
  164    HE   ARG  20           HE       ARG  20  -4.140 -14.635   3.729
  165   1HH1  ARG  20          HH21      ARG  20  -3.854 -14.359   6.779
  166   2HH1  ARG  20          HH22      ARG  20  -2.830 -15.711   7.128
  167   1HH2  ARG  20          HH11      ARG  20  -1.867 -16.172   3.829
  168   2HH2  ARG  20          HH12      ARG  20  -1.705 -16.738   5.458
  169    H    VAL  21           HN       VAL  21  -4.578  -8.082   2.106
  170    HA   VAL  21           HA       VAL  21  -3.075  -6.098   3.570
  171    HB   VAL  21           HB       VAL  21  -4.664  -5.829   1.000
  172   1HG1  VAL  21          HG11      VAL  21  -3.738  -3.739   2.044
  173   2HG1  VAL  21          HG12      VAL  21  -3.047  -4.099   0.461
  174   3HG1  VAL  21          HG13      VAL  21  -2.127  -4.448   1.925
  175   1HG2  VAL  21          HG21      VAL  21  -2.626  -7.668   1.571
  176   2HG2  VAL  21          HG22      VAL  21  -1.812  -6.352   0.725
  177   3HG2  VAL  21          HG23      VAL  21  -3.174  -7.179  -0.032
  178    H    VAL  22           HN       VAL  22  -3.815  -3.901   4.085
  179    HA   VAL  22           HA       VAL  22  -6.770  -3.696   4.492
  180    HB   VAL  22           HB       VAL  22  -5.868  -2.326   6.580
  181   1HG1  VAL  22          HG11      VAL  22  -7.088  -4.694   6.275
  182   2HG1  VAL  22          HG12      VAL  22  -6.533  -4.114   7.846
  183   3HG1  VAL  22          HG13      VAL  22  -5.551  -5.258   6.930
  184   1HG2  VAL  22          HG21      VAL  22  -3.705  -4.408   6.389
  185   2HG2  VAL  22          HG22      VAL  22  -3.775  -2.979   7.420
  186   3HG2  VAL  22          HG23      VAL  22  -3.460  -2.807   5.694
  187    H    SER  23           HN       SER  23  -3.697  -1.963   4.059
  188    HA   SER  23           HA       SER  23  -4.893   0.072   2.399
  189   1HB   SER  23          HB2       SER  23  -5.920   0.728   4.495
  190   2HB   SER  23          HB1       SER  23  -4.372   0.640   5.331
  191    HG   SER  23           HG       SER  23  -4.749   2.773   4.814
  192    H    TYR  24           HN       TYR  24  -3.246   1.479   1.547
  193    HA   TYR  24           HA       TYR  24  -0.480   0.591   2.175
  194   1HB   TYR  24          HB2       TYR  24  -0.015   1.342  -0.061
  195   2HB   TYR  24          HB1       TYR  24  -1.526   0.446  -0.121
  196    HD1  TYR  24           HD1      TYR  24  -3.641   1.565  -0.537
  197    HD2  TYR  24           HD2      TYR  24   0.007   3.807  -0.204
  198    HE1  TYR  24           HE1      TYR  24  -4.788   3.565  -1.450
  199    HE2  TYR  24           HE2      TYR  24  -1.139   5.807  -1.118
  200    HH   TYR  24           HH       TYR  24  -3.008   6.511  -2.222
  201    H    GLN  25           HN       GLN  25   1.110   2.519   1.538
  202    HA   GLN  25           HA       GLN  25   0.209   5.134   2.617
  203   1HB   GLN  25          HB2       GLN  25   2.192   3.216   3.839
  204   2HB   GLN  25          HB1       GLN  25   2.360   4.951   4.105
  205   1HG   GLN  25          HG2       GLN  25   0.111   5.070   5.041
  206   2HG   GLN  25          HG1       GLN  25  -0.159   3.365   4.679
  207   1HE2  GLN  25          HE21      GLN  25  -0.417   4.128   7.342
  208   2HE2  GLN  25          HE22      GLN  25   0.906   3.565   8.245
  209    H    LEU  26           HN       LEU  26   0.690   5.940   0.484
  210    HA   LEU  26           HA       LEU  26   2.994   5.403  -1.047
  211   1HB   LEU  26          HB2       LEU  26   0.989   7.598  -0.783
  212   2HB   LEU  26          HB1       LEU  26   2.424   7.925  -1.757
  213    HG   LEU  26           HG       LEU  26   0.505   5.605  -2.125
  214   1HD1  LEU  26          HD11      LEU  26   0.469   6.900  -4.464
  215   2HD1  LEU  26          HD12      LEU  26   0.881   8.267  -3.428
  216   3HD1  LEU  26          HD13      LEU  26  -0.602   7.358  -3.140
  217   1HD2  LEU  26          HD21      LEU  26   3.149   6.323  -3.389
  218   2HD2  LEU  26          HD22      LEU  26   1.954   5.375  -4.274
  219   3HD2  LEU  26          HD23      LEU  26   2.617   4.765  -2.759
  220    H    SER  27           HN       SER  27   5.082   6.129  -0.986
  221    HA   SER  27           HA       SER  27   5.793   8.266   0.973
  222   1HB   SER  27          HB2       SER  27   6.202   5.543   1.291
  223   2HB   SER  27          HB1       SER  27   7.747   6.101   0.656
  224    HG   SER  27           HG       SER  27   7.823   7.618   2.324
  225    H    SER  28           HN       SER  28   5.739   9.412  -1.266
  226    HA   SER  28           HA       SER  28   7.970   8.776  -3.080
  227   1HB   SER  28          HB2       SER  28   5.896  10.987  -2.962
  228   2HB   SER  28          HB1       SER  28   7.020  10.752  -4.297
  229    HG   SER  28           HG       SER  28   5.375   9.556  -4.953
  230    H    ARG  29           HN       ARG  29   9.942   9.264  -2.070
  231    HA   ARG  29           HA       ARG  29  10.303  12.113  -1.203
  232   1HB   ARG  29          HB2       ARG  29  10.164  10.406   0.650
  233   2HB   ARG  29          HB1       ARG  29  11.596   9.631  -0.029
  234   1HG   ARG  29          HG2       ARG  29  12.708  11.031   1.387
  235   2HG   ARG  29          HG1       ARG  29  12.450  12.209   0.100
  236   1HD   ARG  29          HD2       ARG  29  10.655  11.793   2.520
  237   2HD   ARG  29          HD1       ARG  29  11.708  13.190   2.217
  238    HE   ARG  29           HE       ARG  29   9.344  12.469   0.530
  239   1HH1  ARG  29          HH11      ARG  29   9.422  14.871   2.406
  240   2HH1  ARG  29          HH12      ARG  29   9.772  16.153   1.295
  241   1HH2  ARG  29          HH21      ARG  29  10.804  14.027  -1.243
  242   2HH2  ARG  29          HH22      ARG  29  10.555  15.674  -0.771
  243    H    SER  30           HN       SER  30  12.392  13.003  -1.706
  244    HA   SER  30           HA       SER  30  13.721  11.722  -4.012
  245   1HB   SER  30          HB2       SER  30  13.763  14.384  -2.610
  246   2HB   SER  30          HB1       SER  30  15.032  13.981  -3.763
  247    HG   SER  30           HG       SER  30  13.101  15.053  -4.625
  248    H    THR  31           HN       THR  31  14.455  12.603  -0.648
  249    HA   THR  31           HA       THR  31  17.237  12.170  -0.587
  250    HB   THR  31           HB       THR  31  16.848  11.767   1.802
  251    HG1  THR  31           HG1      THR  31  15.107  10.794   2.413
  252   1HG2  THR  31          HG21      THR  31  14.640  13.637   0.996
  253   2HG2  THR  31          HG22      THR  31  16.313  14.037   0.606
  254   3HG2  THR  31          HG23      THR  31  15.829  13.812   2.287
  255    H    CYS  32           HN       CYS  32  14.650   9.864  -0.971
  256    HA   CYS  32           HA       CYS  32  16.266   7.532  -0.203
  257   1HB   CYS  32          HB2       CYS  32  13.523   8.084  -1.319
  258   2HB   CYS  32          HB1       CYS  32  14.147   6.434  -1.284
  259    H    LEU  33           HN       LEU  33  16.460   5.709  -1.881
  260    HA   LEU  33           HA       LEU  33  17.649   6.814  -4.345
  261   1HB   LEU  33          HB2       LEU  33  17.998   4.572  -2.575
  262   2HB   LEU  33          HB1       LEU  33  17.774   3.978  -4.221
  263    HG   LEU  33           HG       LEU  33  19.467   6.125  -4.593
  264   1HD1  LEU  33          HD11      LEU  33  19.683   5.211  -1.831
  265   2HD1  LEU  33          HD12      LEU  33  20.422   6.613  -2.605
  266   3HD1  LEU  33          HD13      LEU  33  21.207   5.037  -2.701
  267   1HD2  LEU  33          HD21      LEU  33  19.986   4.194  -5.774
  268   2HD2  LEU  33          HD22      LEU  33  19.795   3.155  -4.361
  269   3HD2  LEU  33          HD23      LEU  33  21.243   4.146  -4.538
  270    H    LYS  34           HN       LYS  34  14.863   4.930  -3.324
  271    HA   LYS  34           HA       LYS  34  13.908   4.919  -6.165
  272   1HB   LYS  34          HB2       LYS  34  14.561   2.726  -4.365
  273   2HB   LYS  34          HB1       LYS  34  12.881   2.635  -4.895
  274   1HG   LYS  34          HG2       LYS  34  13.669   2.922  -7.258
  275   2HG   LYS  34          HG1       LYS  34  15.330   2.831  -6.670
  276   1HD   LYS  34          HD2       LYS  34  14.458   0.610  -5.519
  277   2HD   LYS  34          HD1       LYS  34  13.247   0.683  -6.800
  278   1HE   LYS  34          HE2       LYS  34  14.877  -0.455  -7.975
  279   2HE   LYS  34          HE1       LYS  34  15.495   1.187  -8.250
  280   1HZ   LYS  34          HZ1       LYS  34  16.687   0.942  -6.078
  281   2HZ   LYS  34          HZ2       LYS  34  17.271  -0.054  -7.324
  282   3HZ   LYS  34          HZ3       LYS  34  16.283  -0.705  -6.104
  283    H    ALA  35           HN       ALA  35  11.444   4.405  -6.160
  284    HA   ALA  35           HA       ALA  35  10.125   5.613  -3.752
  285   1HB   ALA  35          HB1       ALA  35   8.629   6.419  -5.936
  286   2HB   ALA  35          HB2       ALA  35  10.279   6.486  -6.555
  287   3HB   ALA  35          HB3       ALA  35   9.838   7.409  -5.119
  288    H    GLY  36           HN       GLY  36   8.446   4.352  -3.034
  289   1HA   GLY  36          HA2       GLY  36   6.854   2.780  -4.948
  290   2HA   GLY  36          HA1       GLY  36   7.757   1.834  -3.763
  291    H    VAL  37           HN       VAL  37   5.158   1.436  -3.488
  292    HA   VAL  37           HA       VAL  37   4.111   3.426  -1.516
  293    HB   VAL  37           HB       VAL  37   2.698   1.043  -2.731
  294   1HG1  VAL  37          HG11      VAL  37   0.892   1.898  -1.689
  295   2HG1  VAL  37          HG12      VAL  37   1.189   3.493  -2.381
  296   3HG1  VAL  37          HG13      VAL  37   1.974   3.026  -0.872
  297   1HG2  VAL  37          HG21      VAL  37   3.050   2.012  -4.755
  298   2HG2  VAL  37          HG22      VAL  37   3.634   3.509  -4.030
  299   3HG2  VAL  37          HG23      VAL  37   1.902   3.235  -4.211
  300    H    ILE  38           HN       ILE  38   3.237   2.559   0.537
  301    HA   ILE  38           HA       ILE  38   4.604   0.012   1.346
  302    HB   ILE  38           HB       ILE  38   3.878   2.564   2.802
  303   1HG1  ILE  38          HG12      ILE  38   6.377   2.349   3.367
  304   2HG1  ILE  38          HG11      ILE  38   6.434   1.089   2.134
  305   1HG2  ILE  38          HG21      ILE  38   5.023   1.295   4.769
  306   2HG2  ILE  38          HG22      ILE  38   4.588  -0.161   3.875
  307   3HG2  ILE  38          HG23      ILE  38   3.330   0.946   4.422
  308   1HD1  ILE  38          HD11      ILE  38   6.221   2.577   0.421
  309   2HD1  ILE  38          HD12      ILE  38   6.809   3.739   1.610
  310   3HD1  ILE  38          HD13      ILE  38   5.079   3.585   1.309
  311    H    PHE  39           HN       PHE  39   3.164  -1.660   1.579
  312    HA   PHE  39           HA       PHE  39   0.325  -1.006   2.236
  313   1HB   PHE  39          HB2       PHE  39   1.769  -3.275   0.880
  314   2HB   PHE  39          HB1       PHE  39   0.127  -3.495   1.482
  315    HD1  PHE  39           HD1      PHE  39  -1.731  -2.671   0.283
  316    HD2  PHE  39           HD2      PHE  39   2.224  -1.325  -0.712
  317    HE1  PHE  39           HE1      PHE  39  -2.627  -1.513  -1.716
  318    HE2  PHE  39           HE2      PHE  39   1.325  -0.169  -2.712
  319    HZ   PHE  39           HZ       PHE  39  -1.099  -0.260  -3.212
  320    H    THR  40           HN       THR  40  -0.765  -2.552   3.740
  321    HA   THR  40           HA       THR  40   1.067  -3.856   5.686
  322    HB   THR  40           HB       THR  40  -0.987  -1.691   6.150
  323    HG1  THR  40           HG1      THR  40   0.737  -0.600   6.580
  324   1HG2  THR  40          HG21      THR  40   0.001  -2.485   8.647
  325   2HG2  THR  40          HG22      THR  40  -0.416  -3.992   7.832
  326   3HG2  THR  40          HG23      THR  40  -1.635  -2.735   8.038
  327    H    THR  41           HN       THR  41   0.129  -5.673   6.687
  328    HA   THR  41           HA       THR  41  -2.321  -6.708   5.418
  329    HB   THR  41           HB       THR  41  -0.890  -8.152   7.593
  330    HG1  THR  41           HG1      THR  41   0.258  -7.484   5.090
  331   1HG2  THR  41          HG21      THR  41  -2.242  -9.660   6.563
  332   2HG2  THR  41          HG22      THR  41  -0.937  -9.746   5.379
  333   3HG2  THR  41          HG23      THR  41  -2.332  -8.709   5.080
  334    H    LYS  42           HN       LYS  42  -4.018  -7.707   6.859
  335    HA   LYS  42           HA       LYS  42  -4.935  -5.815   8.853
  336   1HB   LYS  42          HB2       LYS  42  -6.754  -7.509   9.085
  337   2HB   LYS  42          HB1       LYS  42  -6.423  -7.117   7.397
  338   1HG   LYS  42          HG2       LYS  42  -6.031  -9.294   6.997
  339   2HG   LYS  42          HG1       LYS  42  -4.663  -9.227   8.108
  340   1HD   LYS  42          HD2       LYS  42  -5.814 -10.246   9.785
  341   2HD   LYS  42          HD1       LYS  42  -7.302  -9.371   9.422
  342   1HE   LYS  42          HE2       LYS  42  -7.368 -10.894   7.280
  343   2HE   LYS  42          HE1       LYS  42  -6.284 -11.937   8.223
  344   1HZ   LYS  42          HZ1       LYS  42  -7.902 -11.628  10.107
  345   2HZ   LYS  42          HZ2       LYS  42  -8.466 -12.574   8.813
  346   3HZ   LYS  42          HZ3       LYS  42  -8.982 -10.964   8.980
  347    H    LYS  43           HN       LYS  43  -2.986  -8.702   8.949
  348    HA   LYS  43           HA       LYS  43  -3.451  -9.413  11.716
  349   1HB   LYS  43          HB2       LYS  43  -2.185 -10.460   9.488
  350   2HB   LYS  43          HB1       LYS  43  -0.831 -10.043  10.540
  351   1HG   LYS  43          HG2       LYS  43  -2.262 -11.200  12.404
  352   2HG   LYS  43          HG1       LYS  43  -3.093 -11.958  11.045
  353   1HD   LYS  43          HD2       LYS  43  -0.646 -12.467  10.211
  354   2HD   LYS  43          HD1       LYS  43  -0.234 -12.244  11.912
  355   1HE   LYS  43          HE2       LYS  43  -2.140 -13.899  12.428
  356   2HE   LYS  43          HE1       LYS  43  -2.097 -14.298  10.699
  357   1HZ   LYS  43          HZ1       LYS  43   0.366 -14.546  10.969
  358   2HZ   LYS  43          HZ2       LYS  43  -0.557 -15.733  11.761
  359   3HZ   LYS  43          HZ3       LYS  43   0.136 -14.460  12.647
  360    H    GLY  44           HN       GLY  44  -1.556  -6.958  10.153
  361   1HA   GLY  44          HA2       GLY  44  -0.813  -5.099  11.650
  362   2HA   GLY  44          HA1       GLY  44  -0.260  -6.345  12.766
  363    H    GLN  45           HN       GLN  45   0.169  -6.669   9.305
  364    HA   GLN  45           HA       GLN  45   3.118  -6.632   9.728
  365   1HB   GLN  45          HB2       GLN  45   1.254  -8.211   8.290
  366   2HB   GLN  45          HB1       GLN  45   2.228  -7.372   7.082
  367   1HG   GLN  45          HG2       GLN  45   4.264  -8.094   8.502
  368   2HG   GLN  45          HG1       GLN  45   3.153  -9.225   9.276
  369   1HE2  GLN  45          HE21      GLN  45   5.396 -10.060   7.616
  370   2HE2  GLN  45          HE22      GLN  45   4.754 -10.844   6.254
  371    H    GLN  46           HN       GLN  46   4.224  -5.842   7.488
  372    HA   GLN  46           HA       GLN  46   2.892  -3.524   6.267
  373   1HB   GLN  46          HB2       GLN  46   4.448  -3.308   8.660
  374   2HB   GLN  46          HB1       GLN  46   5.351  -2.537   7.355
  375   1HG   GLN  46          HG2       GLN  46   3.253  -1.284   6.744
  376   2HG   GLN  46          HG1       GLN  46   2.503  -1.940   8.200
  377   1HE2  GLN  46          HE21      GLN  46   3.709   0.880   7.249
  378   2HE2  GLN  46          HE22      GLN  46   4.521   1.392   8.649
  379    H    SER  47           HN       SER  47   3.424  -4.281   4.200
  380    HA   SER  47           HA       SER  47   6.331  -4.781   3.645
  381   1HB   SER  47          HB2       SER  47   3.881  -5.736   2.135
  382   2HB   SER  47          HB1       SER  47   5.540  -6.282   1.907
  383    HG   SER  47           HG       SER  47   3.836  -7.400   3.430
  384    H    CYS  48           HN       CYS  48   7.257  -3.700   1.867
  385    HA   CYS  48           HA       CYS  48   5.884  -1.268   0.959
  386   1HB   CYS  48          HB2       CYS  48   8.557  -2.490   0.196
  387   2HB   CYS  48          HB1       CYS  48   8.068  -0.813  -0.052
  388    H    GLY  49           HN       GLY  49   4.653  -1.198  -0.890
  389   1HA   GLY  49          HA2       GLY  49   4.914  -3.458  -2.817
  390   2HA   GLY  49          HA1       GLY  49   3.486  -2.446  -2.640
  391    H    ASP  50           HN       ASP  50   5.169  -3.049  -5.017
  392    HA   ASP  50           HA       ASP  50   6.386  -0.433  -5.685
  393   1HB   ASP  50          HB2       ASP  50   7.342  -2.731  -6.238
  394   2HB   ASP  50          HB1       ASP  50   6.019  -2.914  -7.390
  395    HA   PRO  51           HA       PRO  51   2.634   0.953  -7.580
  396   1HB   PRO  51          HB2       PRO  51   3.689   2.956  -9.127
  397   2HB   PRO  51          HB1       PRO  51   3.466   3.105  -7.372
  398   1HG   PRO  51          HG2       PRO  51   5.936   2.489  -8.918
  399   2HG   PRO  51          HG1       PRO  51   5.726   3.506  -7.483
  400   1HD   PRO  51          HD2       PRO  51   6.724   0.979  -7.380
  401   2HD   PRO  51          HD1       PRO  51   5.821   1.724  -6.043
  402    H    LYS  52           HN       LYS  52   5.463  -0.053  -9.385
  403    HA   LYS  52           HA       LYS  52   4.381  -0.017 -12.035
  404   1HB   LYS  52          HB2       LYS  52   6.441  -1.752 -10.636
  405   2HB   LYS  52          HB1       LYS  52   6.189  -1.753 -12.382
  406   1HG   LYS  52          HG2       LYS  52   6.416   0.916 -11.931
  407   2HG   LYS  52          HG1       LYS  52   7.468   0.292 -10.661
  408   1HD   LYS  52          HD2       LYS  52   8.576  -1.148 -12.436
  409   2HD   LYS  52          HD1       LYS  52   7.670  -0.225 -13.636
  410   1HE   LYS  52          HE2       LYS  52   8.753   1.831 -13.001
  411   2HE   LYS  52          HE1       LYS  52   9.481   1.070 -11.572
  412   1HZ   LYS  52          HZ1       LYS  52  11.142   0.974 -13.205
  413   2HZ   LYS  52          HZ2       LYS  52  10.050   0.526 -14.427
  414   3HZ   LYS  52          HZ3       LYS  52  10.464  -0.580 -13.205
  415    H    GLN  53           HN       GLN  53   3.809  -2.090  -9.297
  416    HA   GLN  53           HA       GLN  53   2.730  -4.324 -10.869
  417   1HB   GLN  53          HB2       GLN  53   2.586  -3.645  -7.912
  418   2HB   GLN  53          HB1       GLN  53   2.255  -5.221  -8.630
  419   1HG   GLN  53          HG2       GLN  53   4.883  -3.982  -9.279
  420   2HG   GLN  53          HG1       GLN  53   4.670  -4.581  -7.634
  421   1HE2  GLN  53          HE21      GLN  53   6.503  -5.891  -9.338
  422   2HE2  GLN  53          HE22      GLN  53   5.890  -7.419  -9.750
  423    H    GLU  54           HN       GLU  54   0.430  -4.965 -10.685
  424    HA   GLU  54           HA       GLU  54  -1.352  -2.605 -10.815
  425   1HB   GLU  54          HB2       GLU  54  -1.209  -5.360 -11.822
  426   2HB   GLU  54          HB1       GLU  54  -2.831  -4.898 -11.304
  427   1HG   GLU  54          HG2       GLU  54  -2.808  -2.955 -12.748
  428   2HG   GLU  54          HG1       GLU  54  -1.113  -3.223 -13.155
  429    H    TRP  55           HN       TRP  55  -0.486  -4.966  -8.435
  430    HA   TRP  55           HA       TRP  55  -3.117  -5.022  -7.154
  431   1HB   TRP  55          HB2       TRP  55  -1.967  -6.339  -5.481
  432   2HB   TRP  55          HB1       TRP  55  -1.435  -6.864  -7.069
  433    HD1  TRP  55           HD1      TRP  55   1.065  -6.465  -7.730
  434    HE1  TRP  55           HE1      TRP  55   3.146  -5.803  -6.350
  435    HE3  TRP  55           HE3      TRP  55  -1.177  -4.784  -3.463
  436    HZ2  TRP  55           HZ2      TRP  55   3.768  -4.740  -3.811
  437    HZ3  TRP  55           HZ3      TRP  55   0.191  -3.953  -1.574
  438    HH2  TRP  55           HH2      TRP  55   2.666  -3.923  -1.743
  439    H    VAL  56           HN       VAL  56  -0.246  -3.020  -7.019
  440    HA   VAL  56           HA       VAL  56  -0.986  -1.706  -4.510
  441    HB   VAL  56           HB       VAL  56   0.856  -0.985  -6.826
  442   1HG1  VAL  56          HG11      VAL  56   0.875   1.105  -5.970
  443   2HG1  VAL  56          HG12      VAL  56   1.614   0.428  -4.520
  444   3HG1  VAL  56          HG13      VAL  56  -0.137   0.618  -4.611
  445   1HG2  VAL  56          HG21      VAL  56   2.109  -2.574  -5.796
  446   2HG2  VAL  56          HG22      VAL  56   1.086  -2.570  -4.359
  447   3HG2  VAL  56          HG23      VAL  56   2.357  -1.361  -4.540
  448    H    GLN  57           HN       GLN  57  -1.121  -0.903  -7.982
  449    HA   GLN  57           HA       GLN  57  -2.666   1.496  -7.760
  450   1HB   GLN  57          HB2       GLN  57  -1.444  -0.068  -9.720
  451   2HB   GLN  57          HB1       GLN  57  -3.159  -0.210 -10.110
  452   1HG   GLN  57          HG2       GLN  57  -3.055   2.439  -9.641
  453   2HG   GLN  57          HG1       GLN  57  -1.392   2.187 -10.175
  454   1HE2  GLN  57          HE21      GLN  57  -2.718   3.691 -11.944
  455   2HE2  GLN  57          HE22      GLN  57  -3.258   2.804 -13.287
  456    H    ARG  58           HN       ARG  58  -3.594  -1.927  -8.218
  457    HA   ARG  58           HA       ARG  58  -6.408  -1.594  -8.422
  458   1HB   ARG  58          HB2       ARG  58  -5.270  -3.697  -8.870
  459   2HB   ARG  58          HB1       ARG  58  -4.662  -3.767  -7.216
  460   1HG   ARG  58          HG2       ARG  58  -6.978  -3.932  -6.372
  461   2HG   ARG  58          HG1       ARG  58  -7.581  -3.881  -8.029
  462   1HD   ARG  58          HD2       ARG  58  -5.505  -5.917  -7.678
  463   2HD   ARG  58          HD1       ARG  58  -6.921  -6.198  -6.645
  464    HE   ARG  58           HE       ARG  58  -7.931  -5.440  -9.158
  465   1HH1  ARG  58          HH11      ARG  58  -8.246  -8.115  -7.610
  466   2HH1  ARG  58          HH12      ARG  58  -7.739  -9.233  -8.832
  467   1HH2  ARG  58          HH21      ARG  58  -6.295  -6.800 -10.835
  468   2HH2  ARG  58          HH22      ARG  58  -6.635  -8.489 -10.658
  469    H    TYR  59           HN       TYR  59  -4.543  -2.510  -5.493
  470    HA   TYR  59           HA       TYR  59  -6.608  -2.131  -3.591
  471   1HB   TYR  59          HB2       TYR  59  -3.609  -1.662  -3.429
  472   2HB   TYR  59          HB1       TYR  59  -4.663  -1.820  -2.030
  473    HD1  TYR  59           HD1      TYR  59  -2.633  -3.645  -1.842
  474    HD2  TYR  59           HD2      TYR  59  -6.066  -3.943  -4.413
  475    HE1  TYR  59           HE1      TYR  59  -2.371  -6.110  -1.901
  476    HE2  TYR  59           HE2      TYR  59  -5.797  -6.407  -4.469
  477    HH   TYR  59           HH       TYR  59  -3.464  -8.012  -4.031
  478    H    MET  60           HN       MET  60  -4.059   0.112  -4.616
  479    HA   MET  60           HA       MET  60  -4.815   2.426  -3.189
  480   1HB   MET  60          HB2       MET  60  -3.492   1.863  -5.846
  481   2HB   MET  60          HB1       MET  60  -3.651   3.508  -5.237
  482   1HG   MET  60          HG2       MET  60  -2.597   2.637  -3.063
  483   2HG   MET  60          HG1       MET  60  -2.157   1.200  -3.980
  484   1HE   MET  60          HE1       MET  60  -1.248   5.488  -4.970
  485   2HE   MET  60          HE2       MET  60  -0.930   5.040  -3.296
  486   3HE   MET  60          HE3       MET  60  -2.528   4.766  -3.986
  487    H    LYS  61           HN       LYS  61  -6.141   1.020  -6.147
  488    HA   LYS  61           HA       LYS  61  -7.697   3.322  -6.960
  489   1HB   LYS  61          HB2       LYS  61  -6.969   1.364  -8.370
  490   2HB   LYS  61          HB1       LYS  61  -8.133   0.366  -7.498
  491   1HG   LYS  61          HG2       LYS  61  -9.954   1.379  -8.484
  492   2HG   LYS  61          HG1       LYS  61  -9.124   2.923  -8.677
  493   1HD   LYS  61          HD2       LYS  61  -7.619   1.621 -10.370
  494   2HD   LYS  61          HD1       LYS  61  -8.947   0.461 -10.397
  495   1HE   LYS  61          HE2       LYS  61 -10.499   2.106 -11.193
  496   2HE   LYS  61          HE1       LYS  61  -9.363   3.430 -10.862
  497   1HZ   LYS  61          HZ1       LYS  61  -7.791   2.311 -12.407
  498   2HZ   LYS  61          HZ2       LYS  61  -9.195   2.894 -13.167
  499   3HZ   LYS  61          HZ3       LYS  61  -9.031   1.235 -12.836
  500    H    ASN  62           HN       ASN  62  -8.581   0.273  -5.279
  501    HA   ASN  62           HA       ASN  62 -11.298   1.145  -4.728
  502   1HB   ASN  62          HB2       ASN  62  -9.924  -1.215  -4.770
  503   2HB   ASN  62          HB1       ASN  62 -10.000  -0.916  -3.033
  504   1HD2  ASN  62          HD21      ASN  62 -11.464  -3.064  -3.699
  505   2HD2  ASN  62          HD22      ASN  62 -13.123  -2.716  -3.794
  506    H    LEU  63           HN       LEU  63  -8.206   1.338  -3.066
  507    HA   LEU  63           HA       LEU  63  -9.187   2.028  -0.451
  508   1HB   LEU  63          HB2       LEU  63  -6.647   2.142  -2.021
  509   2HB   LEU  63          HB1       LEU  63  -6.724   3.091  -0.533
  510    HG   LEU  63           HG       LEU  63  -7.769   0.323  -0.353
  511   1HD1  LEU  63          HD11      LEU  63  -4.926   0.223   0.054
  512   2HD1  LEU  63          HD12      LEU  63  -5.253   0.784  -1.586
  513   3HD1  LEU  63          HD13      LEU  63  -5.916  -0.753  -1.031
  514   1HD2  LEU  63          HD21      LEU  63  -5.699   1.554   1.432
  515   2HD2  LEU  63          HD22      LEU  63  -7.065   0.521   1.853
  516   3HD2  LEU  63          HD23      LEU  63  -7.333   2.219   1.458
  517    H    ASP  64           HN       ASP  64  -8.599   3.874  -3.389
  518    HA   ASP  64           HA       ASP  64  -8.588   6.502  -2.206
  519   1HB   ASP  64          HB2       ASP  64  -8.284   5.282  -4.720
  520   2HB   ASP  64          HB1       ASP  64  -9.683   6.342  -4.897
  521    H    ALA  65           HN       ALA  65 -11.164   4.379  -3.418
  522    HA   ALA  65           HA       ALA  65 -13.281   6.349  -3.236
  523   1HB   ALA  65          HB1       ALA  65 -13.345   4.337  -4.660
  524   2HB   ALA  65          HB2       ALA  65 -14.695   4.326  -3.525
  525   3HB   ALA  65          HB3       ALA  65 -13.284   3.313  -3.225
  526    H    LYS  66           HN       LYS  66 -11.667   4.307  -0.928
  527    HA   LYS  66           HA       LYS  66 -13.851   4.529   1.061
  528   1HB   LYS  66          HB2       LYS  66 -12.633   2.423   0.781
  529   2HB   LYS  66          HB1       LYS  66 -11.102   3.247   1.080
  530   1HG   LYS  66          HG2       LYS  66 -11.452   3.368   3.337
  531   2HG   LYS  66          HG1       LYS  66 -13.191   3.604   3.157
  532   1HD   LYS  66          HD2       LYS  66 -13.531   1.250   2.711
  533   2HD   LYS  66          HD1       LYS  66 -11.791   0.964   2.656
  534   1HE   LYS  66          HE2       LYS  66 -11.745   1.867   5.081
  535   2HE   LYS  66          HE1       LYS  66 -13.502   1.617   5.061
  536   1HZ   LYS  66          HZ1       LYS  66 -13.247  -0.643   4.568
  537   2HZ   LYS  66          HZ2       LYS  66 -12.086  -0.350   5.773
  538   3HZ   LYS  66          HZ3       LYS  66 -11.614  -0.470   4.146
  539    H    GLN  67           HN       GLN  67 -10.336   5.012   1.375
  540    HA   GLN  67           HA       GLN  67 -10.344   6.727   3.581
  541   1HB   GLN  67          HB2       GLN  67  -8.361   5.699   2.546
  542   2HB   GLN  67          HB1       GLN  67  -8.549   6.736   1.131
  543   1HG   GLN  67          HG2       GLN  67  -6.953   7.903   2.386
  544   2HG   GLN  67          HG1       GLN  67  -8.456   8.689   2.871
  545   1HE2  GLN  67          HE21      GLN  67  -9.233   8.326   5.044
  546   2HE2  GLN  67          HE22      GLN  67  -8.304   7.522   6.214
  547    H    LYS  68           HN       LYS  68  -9.739   8.017   0.299
  548    HA   LYS  68           HA       LYS  68 -10.456  10.704   0.964
  549   1HB   LYS  68          HB2       LYS  68  -9.046  10.087  -0.931
  550   2HB   LYS  68          HB1       LYS  68 -10.372   9.180  -1.660
  551   1HG   LYS  68          HG2       LYS  68 -11.126  11.932  -1.020
  552   2HG   LYS  68          HG1       LYS  68  -9.775  11.850  -2.151
  553   1HD   LYS  68          HD2       LYS  68 -11.589   9.867  -2.999
  554   2HD   LYS  68          HD1       LYS  68 -12.573  11.282  -2.622
  555   1HE   LYS  68          HE2       LYS  68 -11.368  12.660  -4.157
  556   2HE   LYS  68          HE1       LYS  68 -10.065  11.465  -4.315
  557   1HZ   LYS  68          HZ1       LYS  68 -12.862  10.748  -4.932
  558   2HZ   LYS  68          HZ2       LYS  68 -11.430   9.996  -5.454
  559   3HZ   LYS  68          HZ3       LYS  68 -11.890  11.497  -6.103
  560    H    LYS  69           HN       LYS  69 -12.551  10.436   2.081
  561    HA   LYS  69           HA       LYS  69 -14.870   9.298   0.817
  562   1HB   LYS  69          HB2       LYS  69 -14.354  11.270   3.049
  563   2HB   LYS  69          HB1       LYS  69 -15.993  10.797   2.602
  564   1HG   LYS  69          HG2       LYS  69 -13.833   8.778   3.242
  565   2HG   LYS  69          HG1       LYS  69 -14.922   9.426   4.468
  566   1HD   LYS  69          HD2       LYS  69 -15.867   8.084   1.921
  567   2HD   LYS  69          HD1       LYS  69 -15.696   7.248   3.465
  568   1HE   LYS  69          HE2       LYS  69 -17.497   9.638   2.918
  569   2HE   LYS  69          HE1       LYS  69 -18.021   7.970   3.227
  570   1HZ   LYS  69          HZ1       LYS  69 -18.095   8.919   5.325
  571   2HZ   LYS  69          HZ2       LYS  69 -16.707   9.865   5.069
  572   3HZ   LYS  69          HZ3       LYS  69 -16.563   8.191   5.318
  573    H    ALA  70           HN       ALA  70 -14.536  10.336  -1.382
  574    HA   ALA  70           HA       ALA  70 -14.666  13.102  -1.920
  575   1HB   ALA  70          HB1       ALA  70 -15.165  10.542  -3.268
  576   2HB   ALA  70          HB2       ALA  70 -14.347  11.983  -3.872
  577   3HB   ALA  70          HB3       ALA  70 -16.106  11.873  -3.942
  578    H    SER  71           HN       SER  71 -17.500  11.145  -2.712
  579    HA   SER  71           HA       SER  71 -19.266  12.635  -0.896
  580   1HB   SER  71          HB2       SER  71 -20.399  13.865  -2.627
  581   2HB   SER  71          HB1       SER  71 -18.676  14.143  -2.864
  582    HG   SER  71           HG       SER  71 -18.717  12.484  -4.439
  583    HA   PRO  72           HA       PRO  72 -21.750   9.077  -1.536
  584   1HB   PRO  72          HB2       PRO  72 -24.269  10.072  -1.195
  585   2HB   PRO  72          HB1       PRO  72 -23.129   9.840   0.146
  586   1HG   PRO  72          HG2       PRO  72 -23.844  12.322  -1.322
  587   2HG   PRO  72          HG1       PRO  72 -23.525  12.080   0.402
  588   1HD   PRO  72          HD2       PRO  72 -21.713  13.157  -1.328
  589   2HD   PRO  72          HD1       PRO  72 -21.260  12.267   0.143
  590    H    ARG  73           HN       ARG  73 -22.425  11.940  -3.450
  591    HA   ARG  73           HA       ARG  73 -24.238  10.682  -5.334
  592   1HB   ARG  73          HB2       ARG  73 -24.189  13.086  -4.964
  593   2HB   ARG  73          HB1       ARG  73 -22.483  13.157  -5.409
  594   1HG   ARG  73          HG2       ARG  73 -23.840  11.861  -7.542
  595   2HG   ARG  73          HG1       ARG  73 -24.781  13.295  -7.127
  596   1HD   ARG  73          HD2       ARG  73 -23.038  13.845  -8.803
  597   2HD   ARG  73          HD1       ARG  73 -22.700  14.669  -7.267
  598    HE   ARG  73           HE       ARG  73 -21.206  12.624  -6.767
  599   1HH1  ARG  73          HH11      ARG  73 -20.082  14.678  -8.744
  600   2HH1  ARG  73          HH12      ARG  73 -19.467  13.635  -9.982
  601   1HH2  ARG  73          HH21      ARG  73 -21.221  10.854  -8.881
  602   2HH2  ARG  73          HH22      ARG  73 -20.112  11.470 -10.060