*HEADER    IMMUNE SYSTEM                           12-NOV-02   1N6V              
*TITLE     AVERAGE STRUCTURE OF THE INTERFERON-BINDING ECTODOMAIN OF             
*TITLE    2 THE HUMAN TYPE I INTERFERON RECEPTOR                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: INTERFERON-ALPHA/BETA RECEPTOR BETA CHAIN;                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: IFNAR2-EC, IFN-ALPHA-REC, TYPE I INTERFERON                 
*COMPND   5 RECEPTOR, IFN-R, INTERFERON ALPHA/BETA RECEPTOR- 2;                  
*COMPND   6 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_STRAIN: TG1;                                       
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID                               
*KEYWDS    IMMUNOGLOBULIN FOLD, FIBRONECTIN FOLD, TWO-DOMAIN STRUCTURE           
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    J.H.CHILL, S.R.QUADT, R.LEVY, G.SCHREIBER, J.ANGLISTER                
*REVDAT   1   15-JUL-03 1N6V    0                                                

!!! NOE constraints

assign (resid 6 and name HN)(resid 5 and name HB*) 4.5 2.7 1.35 
assign (resid 6 and name HN)(resid 5 and name HA) 2.8 1 0.84 
assign (resid 7 and name HN)(resid 6 and name HA) 2.7 0.9 0.81 
assign (resid 7 and name HN)(resid 6 and name HB*) 4.4 2.6 1.32 
assign (resid 9 and name HN)(resid 8 and name HB) 3.6 1.8 1.08 
assign (resid 9 and name HN)(resid 8 and name HA) 3.2 1.4 0.96 
assign (resid 10 and name HN)(resid 9 and name HA) 2.4 0.6 0.72 
assign (resid 10 and name HN)(resid 9 and name HB2) 3.7 1.9 1.11 
assign (resid 10 and name HN)(resid 9 and name HB1) 3.7 1.9 1.11 
assign (resid 11 and name HN)(resid 10 and name HA) 4 2.2 1.2 
assign (resid 12 and name HN)(resid 11 and name HA) 2.5 0.7 0.75 
assign (resid 12 and name HN)(resid 11 and name HB1) 3.2 1.4 0.96 
assign (resid 12 and name HN)(resid 10 and name HB*) 3.7 1.9 1.11 
assign (resid 12 and name HN)(resid 10 and name HA) 2.9 1.1 0.87 
assign (resid 13 and name HN)(resid 12 and name HA) 2.4 0.6 0.72 
assign (resid 13 and name HN)(resid 11 and name HA) 3.6 1.8 1.08 
assign (resid 13 and name HN)(resid 12 and name HB2) 3.1 1.3 0.93 
assign (resid 13 and name HN)(resid 12 and name HB1) 3 1.2 0.9 
assign (resid 13 and name HN)(resid 12 and name HN) 3.7 1.9 1.11 
assign (resid 13 and name HN)(resid 28 and name HG*) 4.2 2.4 1.26 
assign (resid 13 and name HN)(resid 28 and name HB*) 4.2 2.4 1.26
assign (resid 13 and name HN)(resid 29 and name HD*) 4.6 2.8 1.38 
assign (resid 14 and name HN)(resid 13 and name HG2*) 3.3 1.5 0.99 
assign (resid 14 and name HN)(resid 13 and name HA) 2.3 0.5 0.69 
assign (resid 14 and name HN)(resid 13 and name HB) 3.1 1.3 0.93 
assign (resid 15 and name HN)(resid 14 and name HA) 2.8 1 0.84 
assign (resid 15 and name HN)(resid 14 and name HB1) 3.2 1.4 0.96 
assign (resid 15 and name HN)(resid 14 and name HB2) 3.2 1.4 0.96 
assign (resid 16 and name HN)(resid 15 and name HA) 2.3 0.5 0.69 
assign (resid 16 and name HN)(resid 15 and name HB2) 3.3 1.5 0.99 
assign (resid 16 and name HN)(resid 15 and name HB1) 3.3 1.5 0.99 
assign (resid 17 and name HN)(resid 25 and name HA) 2.9 1.1 0.87 
assign (resid 17 and name HN)(resid 25 and name HB2) 3.9 2.1 1.17 
assign (resid 17 and name HN)(resid 16 and name HG2*) 3.6 1.8 1.08 
assign (resid 17 and name HN)(resid 16 and name HA) 2.4 0.6 0.72 
assign (resid 17 and name HN)(resid 16 and name HB) 3.2 1.4 0.96 
assign (resid 17 and name HN)(resid 25 and name HB1) 3.7 1.9 1.11 
assign (resid 18 and name HN)(resid 17 and name HA) 2.5 0.7 0.75 
assign (resid 18 and name HN)(resid 17 and name HB2) 3.3 1.5 0.99 
assign (resid 18 and name HN)(resid 17 and name HB1) 3.3 1.5 0.99
assign (resid 18 and name HN)(resid 107 and name HA) 3.0 1.2 0.90 
assign (resid 18 and name HN)(resid 108 and name HN) 3.3 1.5 0.99
assign (resid 19 and name HN)(resid 22 and name HB*) 4 2.2 1.2 
assign (resid 19 and name HN)(resid 18 and name HG) 3.3 1.5 0.99 
assign (resid 19 and name HN)(resid 18 and name HA) 2.7 0.9 0.81 
assign (resid 19 and name HN)(resid 23 and name HA) 3.1 1.3 0.93 
assign (resid 19 and name HN)(resid 18 and name HD*) 3.7 1.9 1.11 
assign (resid 21 and name HN)(resid 20 and name HA) 2.9 1.1 0.87 
assign (resid 21 and name HN)(resid 22 and name HB*) 4.4 2.6 1.32 
assign (resid 22 and name HN)(resid 21 and name HB*) 4 2.2 1.2 
assign (resid 22 and name HN)(resid 19 and name HN) 3.1 1.3 0.93 
assign (resid 22 and name HN)(resid 21 and name HN) 2.9 1.1 0.87 
assign (resid 22 and name HN)(resid 20 and name HA) 3.9 2.1 1.17 
assign (resid 22 and name HN)(resid 21 and name HA) 3 1.2 0.9 
assign (resid 23 and name HN)(resid 69 and name HB) 3.8 2 1.14 
assign (resid 23 and name HN)(resid 22 and name HA) 2.8 1 0.84 
assign (resid 23 and name HN)(resid 69 and name HG2*) 3.8 2 1.14 
assign (resid 23 and name HN)(resid 68 and name HB*) 4.2 2.4 1.26 
assign (resid 23 and name HN)(resid 68 and name HG) 3.8 2 1.14  
assign (resid 24 and name HN)(resid 17 and name HN) 3.7 1.9 1.11 
assign (resid 24 and name HN)(resid 18 and name HA) 3.2 1.4 0.96 
assign (resid 24 and name HN)(resid 23 and name HA) 2.5 0.7 0.75 
assign (resid 24 and name HN)(resid 23 and name HB2) 3.6 1.8 1.08 
assign (resid 24 and name HN)(resid 23 and name HB1) 3.8 2 1.14 
assign (resid 25 and name HN)(resid 67 and name HA) 3.6 1.8 1.08 
assign (resid 25 and name HN)(resid 24 and name HA) 2.7 0.9 0.81 
assign (resid 25 and name HN)(resid 24 and name HG2*) 3.2 1.4 0.96 
assign (resid 26 and name HN)(resid 15 and name HN) 3.2 1.4 0.96 
assign (resid 26 and name HN)(resid 16 and name HA) 3.2 1.4 0.96 
assign (resid 26 and name HN)(resid 25 and name HA) 2.5 0.7 0.75 
assign (resid 26 and name HN)(resid 25 and name HB1) 3.4 1.6 1.02
assign (resid 26 and name HN)(resid 25 and name HB2) 3.4 1.6 1.02 
assign (resid 26 and name HN)(resid 16 and name HB) 3.8 2 1.14 
assign (resid 26 and name HN)(resid 25 and name HD*) 3.1 1.3 0.93 
assign (resid 26 and name HN)(resid 16 and name HD*) 3.8 2 1.14 
assign (resid 26 and name HN)(resid 25 and name HG) 3.9 2.1 1.17 
assign (resid 27 and name HN)(resid 26 and name HA) 2.4 0.6 0.72 
assign (resid 27 and name HN)(resid 26 and name HB2) 2.9 1.1 0.87 
assign (resid 27 and name HN)(resid 26 and name HB1) 2.7 0.9 0.81 
assign (resid 27 and name HN)(resid 65 and name HA) 3 1.2 0.9 
assign (resid 27 and name HE1)(resid 39 and name HD*) 2.8 1.0 0.84
assign (resid 27 and name HE1)(resid 39 and name HE*) 2.8 1.0 0.84
assign (resid 27 and name HE1)(resid 83 and name HD*) 3.9 2.1 1.17
assign (resid 27 and name HE1)(resid 64 and name HA) 2.5 0.7 0.75
assign (resid 27 and name HE1)(resid 64 and name HB*) 3.0 1.2 0.90 
assign (resid 28 and name HN)(resid 13 and name HB) 3.4 1.6 1.02 
assign (resid 28 and name HN)(resid 27 and name HD1) 3.7 1.9 1.11 
assign (resid 28 and name HN)(resid 27 and name HA) 2.4 0.6 0.72 
assign (resid 28 and name HN)(resid 14 and name HA) 3.6 1.8 1.08 
assign (resid 28 and name HN)(resid 12 and name HA) 3.4 1.6 1.02 
assign (resid 28 and name HN)(resid 27 and name HB1) 2.9 1.1 0.87 
assign (resid 28 and name HN)(resid 27 and name HB2) 2.8 1 0.84 
assign (resid 28 and name HN)(resid 13 and name HG2*) 4.5 2.7 1.35 
assign (resid 28 and name HN)(resid 13 and name HN) 3.1 1.3 0.93 
assign (resid 29 and name HN)(resid 28 and name HG*) 3.6 1.8 1.08 
assign (resid 29 and name HN)(resid 28 and name HN) 3.8 2 1.14 
assign (resid 29 and name HN)(resid 28 and name HA) 2.3 0.5 0.69 
assign (resid 29 and name HN)(resid 28 and name HB*) 3.3 1.5 0.99 
assign (resid 30 and name HN)(resid 28 and name HA) 3.6 1.8 1.08 
assign (resid 30 and name HN)(resid 29 and name HD1*) 3.9 2.1 1.17 
assign (resid 30 and name HN)(resid 29 and name HD2*) 3.7 1.9 1.11 
assign (resid 31 and name HN)(resid 30 and name HA) 4 2.2 1.2 
assign (resid 31 and name HN)(resid 30 and name HA) 4.2 2.4 1.26 
assign (resid 34 and name HN)(resid 33 and name HA) 3.1 1.3 0.93 
assign (resid 34 and name HN)(resid 33 and name HB1) 3.2 1.4 0.96 
assign (resid 35 and name HN)(resid 34 and name HA) 2.5 0.7 0.75 
assign (resid 35 and name HN)(resid 34 and name HB) 3.4 1.6 1.02 
assign (resid 35 and name HN)(resid 34 and name HG1*) 4.1 2.3 1.23 
assign (resid 37 and name HN)(resid 36 and name HA) 2.9 1.1 0.87 
assign (resid 37 and name HN)(resid 36 and name HD*) 3.8 2 1.14 
assign (resid 37 and name HN)(resid 36 and name HB*) 4 2.2 1.2 
assign (resid 38 and name HN)(resid 37 and name HA) 3.3 1.5 0.99 
assign (resid 38 and name HN)(resid 37 and name HA) 3.3 1.5 0.99 
assign (resid 38 and name HN)(resid 86 and name HB*) 4.2 2.4 1.26 
assign (resid 38 and name HN)(resid 37 and name HN) 2.5 0.7 0.75 
assign (resid 38 and name HN)(resid 37 and name HB) 2.8 1 0.84 
assign (resid 38 and name HN)(resid 37 and name HB) 2.8 1 0.84 
assign (resid 38 and name HN)(resid 37 and name HG2*) 3.9 2.1 1.17 
assign (resid 38 and name HN)(resid 62 and name HA) 3.4 1.6 1.02 
assign (resid 38 and name HN)(resid 62 and name HB) 3.4 1.6 1.02 
assign (resid 38 and name HN)(resid 62 and name HG2*) 3.3 1.5 0.99 
assign (resid 39 and name HN)(resid 38 and name HA) 2.7 0.9 0.81 
assign (resid 39 and name HN)(resid 60 and name HA) 3.7 1.9 1.11 
assign (resid 39 and name HN)(resid 38 and name HB1) 3 1.2 0.9 
assign (resid 39 and name HN)(resid 38 and name HB2) 3 1.2 0.9 
assign (resid 40 and name HN)(resid 39 and name HA) 2.7 0.9 0.81 
assign (resid 40 and name HN)(resid 39 and name HB2) 3.2 1.4 0.96 
assign (resid 40 and name HN)(resid 39 and name HB1) 3.2 1.4 0.96 
assign (resid 40 and name HN)(resid 83 and name HD*) 3.9 2.1 1.17 
assign (resid 40 and name HN)(resid 84 and name HB*) 4 2.2 1.2 
assign (resid 41 and name HN)(resid 40 and name HA) 2.7 0.9 0.81 
assign (resid 41 and name HN)(resid 40 and name HB) 3.4 1.6 1.02
assign (resid 41 and name HN)(resid 40 and name HG2*) 3.5 1.7 1.05 
assign (resid 41 and name HN)(resid 58 and name HB1) 4.0 2.2 1.20
assign (resid 41 and name HN)(resid 58 and name HB2) 4.0 2.2 1.20
assign (resid 41 and name HN)(resid 59 and name HA) 3.7 1.9 1.11 
assign (resid 42 and name HN)(resid 41 and name HB2) 3.8 2 1.14 
assign (resid 42 and name HN)(resid 81 and name HG2*) 3.9 2.1 1.17 
assign (resid 42 and name HN)(resid 41 and name HA) 2.7 0.9 0.81 
assign (resid 42 and name HN)(resid 83 and name HA) 3.6 1.8 1.08 
assign (resid 42 and name HN)(resid 82 and name HB) 3.4 1.6 1.02 
assign (resid 42 and name HN)(resid 41 and name HB*) 4 2.2 1.2 
assign (resid 42 and name HN)(resid 83 and name HG) 3.7 1.9 1.11 
assign (resid 43 and name HN)(resid 54 and name HA) 3.7 1.9 1.11 
assign (resid 43 and name HN)(resid 54 and name HG*) 3.6 1.8 1.08 
assign (resid 43 and name HN)(resid 42 and name HD*) 3.4 1.6 1.02 
assign (resid 43 and name HN)(resid 42 and name HA) 2.7 0.9 0.81 
assign (resid 43 and name HN)(resid 42 and name HB*) 3 1.2 0.9 
assign (resid 43 and name HN)(resid 81 and name HG2*) 3.6 1.8 1.08 
assign (resid 44 and name HN)(resid 43 and name HA) 2.8 1 0.84 
assign (resid 44 and name HN)(resid 81 and name HA) 3.4 1.6 1.02 
assign (resid 44 and name HN)(resid 43 and name HB1) 3.2 1.4 0.96 
assign (resid 44 and name HN)(resid 43 and name HB2) 3.1 1.3 0.93 
assign (resid 44 and name HN)(resid 79 and name HA) 3.9 2.1 1.17 
assign (resid 44 and name HN)(resid 80 and name HB) 3.3 1.5 0.99 
assign (resid 44 and name HN)(resid 80 and name HG*) 3.8 2 1.14 
assign (resid 45 and name HN)(resid 44 and name HB) 3.3 1.5 0.99 
assign (resid 45 and name HN)(resid 44 and name HG2*) 3 1.2 0.9 
assign (resid 45 and name HN)(resid 44 and name HA) 2.7 0.9 0.81 
assign (resid 45 and name HN)(resid 52 and name HG) 3.8 2 1.14 
assign (resid 46 and name HN)(resid 45 and name HA) 2.7 0.9 0.81 
assign (resid 46 and name HN)(resid 45 and name HG2*) 3.4 1.6 1.02 
assign (resid 46 and name HN)(resid 78 and name HB*) 3.7 1.9 1.11 
assign (resid 47 and name HN)(resid 46 and name HN) 3.8 2 1.14 
assign (resid 47 and name HN)(resid 45 and name HG2*) 4.1 2.3 1.23 
assign (resid 47 and name HN)(resid 46 and name HB1) 3.9 2.1 1.17 
assign (resid 47 and name HN)(resid 46 and name HB2) 3.8 2 1.14 
assign (resid 47 and name HN)(resid 44 and name HG2*) 4.8 3 1.44 
assign (resid 48 and name HN)(resid 47 and name HB*) 3.9 2.1 1.17 
assign (resid 48 and name HN)(resid 47 and name HN) 3 1.2 0.9 
assign (resid 48 and name HN)(resid 47 and name HA) 3.1 1.3 0.93 
assign (resid 48 and name HN)(resid 46 and name HA) 3.3 1.5 0.99 
assign (resid 48 and name HN)(resid 49 and name HD2) 3.1 1.3 0.93 
assign (resid 48 and name HN)(resid 49 and name HD1) 3.2 1.4 0.96 
assign (resid 48 and name HN)(resid 45 and (name HG2* OR name HD1*)) 3.2 1.4 0.96 
assign (resid 48 and name HN)(resid 47 and name HB*) 4.1 2.3 1.23 
assign (resid 50 and name HN)(resid 48 and name HA) 3.3 1.5 0.99 
assign (resid 50 and name HN)(resid 49 and name HA) 2.4 0.6 0.72 
assign (resid 50 and name HN)(resid 49 and name HD2) 3.4 1.6 1.02 
assign (resid 50 and name HN)(resid 49 and name HD1) 3.3 1.5 0.99 
assign (resid 50 and name HN)(resid 49 and name HB*) 3.3 1.5 0.99 
assign (resid 50 and name HN)(resid 44 and name HG2*) 3.8 2 1.14 
assign (resid 51 and name HN)(resid 44 and name HG2*) 3.6 1.8 1.08 
assign (resid 51 and name HN)(resid 50 and name HN) 2.5 0.7 0.75 
assign (resid 51 and name HN)(resid 50 and name HA) 2.7 0.9 0.81
assign (resid 51 and name HN)(resid 50 and name HB2) 2.9 1.1 0.87 
assign (resid 51 and name HN)(resid 50 and name HB1) 2.9 1.1 0.87 
assign (resid 52 and name HN)(resid 51 and name HN) 3 1.2 0.9 
assign (resid 52 and name HN)(resid 44 and name HB) 3.3 1.5 0.99 
assign (resid 52 and name HN)(resid 44 and name HG2*) 3.7 1.9 1.11 
assign (resid 52 and name HN)(resid 51 and name HA) 2.2 0.4 0.66 
assign (resid 52 and name HN)(resid 50 and name HA) 3.4 1.6 1.02 
assign (resid 52 and name HN)(resid 51 and name HB2) 5 3.2 1.5 
assign (resid 52 and name HN)(resid 51 and name HB1) 3.4 1.6 1.02 
assign (resid 53 and name HN)(resid 52 and name HN) 3.7 1.9 1.11 
assign (resid 53 and name HN)(resid 43 and name HN) 2.9 1.1 0.87 
assign (resid 53 and name HN)(resid 44 and name HA) 3.4 1.6 1.02 
assign (resid 53 and name HN)(resid 44 and name HB) 3.1 1.3 0.93 
assign (resid 53 and name HN)(resid 52 and name HA) 2.4 0.6 0.72 
assign (resid 53 and name HN)(resid 44 and name HG2*) 3.9 2.1 1.17 
assign (resid 54 and name HN)(resid 53 and name HA) 2.4 0.6 0.72 
assign (resid 54 and name HN)(resid 53 and name HG*) 3.6 1.8 1.08 
assign (resid 55 and name HN)(resid 54 and name HG2*) 3.4 1.6 1.02 
assign (resid 55 and name HN)(resid 42 and name HA) 3.1 1.3 0.93 
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assign (resid 55 and name HN)(resid 42 and name HB*) 3.8 2 1.14 
assign (resid 55 and name HN)(resid 42 and name HD*) 4 2.2 1.2 
assign (resid 58 and name HN)(resid 57 and name HA) 3.2 1.4 0.96 
assign (resid 58 and name HN)(resid 57 and name HB1) 2.8 1 0.84 
assign (resid 58 and name HN)(resid 59 and name HB*) 3 1.2 0.9 
assign (resid 59 and name HN)(resid 40 and name HA) 3.9 2.1 1.17 
assign (resid 59 and name HN)(resid 61 and name HB) 4.4 2.6 1.32 
assign (resid 59 and name HN)(resid 58 and name HN) 2.4 0.6 0.72 
assign (resid 59 and name HN)(resid 58 and name HA) 2.9 1.1 0.87 
assign (resid 59 and name HN)(resid 57 and name HB*) 4 2.2 1.2 
assign (resid 60 and name HN)(resid 59 and name HB*) 3.3 1.5 0.99 
assign (resid 60 and name HN)(resid 59 and name HN) 3.8 2 1.14 
assign (resid 60 and name HN)(resid 40 and name HA) 3.3 1.5 0.99 
assign (resid 60 and name HN)(resid 59 and name HA) 2.9 1.1 0.87 
assign (resid 61 and name HN)(resid 63 and name HB*) 4 2.2 1.2 
assign (resid 61 and name HN)(resid 39 and name HN) 3 1.2 0.9 
assign (resid 61 and name HN)(resid 40 and name HA) 3.7 1.9 1.11 
assign (resid 61 and name HN)(resid 38 and name HB2) 3.8 2 1.14 
assign (resid 61 and name HN)(resid 60 and name HB*) 4.4 2.6 1.32 
assign (resid 61 and name HN)(resid 38 and name HB1) 3.6 1.8 1.08 
assign (resid 61 and name HN)(resid 60 and name HN) 3.2 1.4 0.96 
assign (resid 62 and name HN)(resid 61 and name HA) 2.9 1.1 0.87 
assign (resid 62 and name HN)(resid 61 and name HG2*) 4.2 2.4 1.26 
assign (resid 63 and name HN)(resid 62 and name HN) 3 1.2 0.9 
assign (resid 63 and name HN)(resid 61 and name HA) 3.2 1.4 0.96 
assign (resid 63 and name HN)(resid 62 and name HB) 3.0 1.2 0.90 
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assign (resid 64 and name HN)(resid 63 and name HG*) 3 1.2 0.9 
assign (resid 64 and name HN)(resid 63 and name HB*) 3.7 1.9 1.11 
assign (resid 65 and name HN)(resid 64 and name HN) 3.4 1.6 1.02 
assign (resid 65 and name HN)(resid 64 and name HA) 3 1.2 0.9 
assign (resid 65 and name HN)(resid 64 and name HB*) 4.2 2.4 1.26 
assign (resid 66 and name HN)(resid 65 and name HB*) 3.6 1.8 1.08 
assign (resid 66 and name HN)(resid 25 and name HN) 4 2.2 1.2 
assign (resid 66 and name HN)(resid 65 and name HA) 2.9 1.1 0.87 
assign (resid 66 and name HN)(resid 26 and name HA) 3.7 1.9 1.11 
assign (resid 67 and name HN)(resid 66 and name HA) 2.5 0.7 0.75 
assign (resid 67 and name HN)(resid 58 and name HB*) 4.2 2.4 1.26 
assign (resid 68 and name HN)(resid 67 and name HA) 2.8 1 0.84 
assign (resid 68 and name HN)(resid 67 and name HB2) 3.9 2.1 1.17 
assign (resid 68 and name HN)(resid 24 and name HA) 3.6 1.8 1.08  
assign (resid 69 and name HN)(resid 68 and name HG) 4.2 2.4 1.26 
assign (resid 69 and name HN)(resid 68 and name HA) 3.4 1.6 1.02 
assign (resid 69 and name HN)(resid 68 and name HN) 3 1.2 0.9 
assign (resid 70 and name HN)(resid 69 and name HB) 2.9 1.1 0.87 
assign (resid 70 and name HN)(resid 69 and name HA) 3.6 1.8 1.08 
assign (resid 70 and name HN)(resid 69 and name HG2*) 3.7 1.9 1.11 
assign (resid 70 and name HN)(resid 69 and name HN) 3.3 1.5 0.99 
assign (resid 71 and name HN)(resid 70 and name HN) 2.8 1 0.84 
assign (resid 71 and name HN)(resid 70 and name HA) 3.1 1.3 0.93
assign (resid 71 and name HN)(resid 68 and name HA) 3.5 1.7 1.05 
assign (resid 71 and name HN)(resid 70 and name HB1) 3.7 1.9 1.11 
assign (resid 71 and name HN)(resid 70 and name HB2) 3.8 2 1.14 
assign (resid 72 and name HN)(resid 71 and name HN) 2.7 0.9 0.81 
assign (resid 72 and name HN)(resid 71 and name HA) 3.1 1.3 0.93
assign (resid 72 and name HN)(resid 68 and name HB*) 3.7 1.9 1.11
assign (resid 72 and name HN)(resid 71 and name HG*) 3.7 1.9 1.11 
assign (resid 72 and name HN)(resid 71 and name HB2) 3 1.2 0.9 
assign (resid 72 and name HN)(resid 71 and name HB1) 3 1.2 0.9 
assign (resid 72 and name HE1)(resid 79 and name HD*) 3.4 1.6 1.02
assign (resid 72 and name HE1)(resid 43 and name HA) 3.4 1.6 1.02
assign (resid 72 and name HE1)(resid 43 and name HB1) 3.4 1.6 1.02
assign (resid 72 and name HE1)(resid 43 and name HB2) 3.4 1.6 1.02
assign (resid 72 and name HE1)(resid 43 and name HD*) 3.1 1.3 0.93
assign (resid 72 and name HE1)(resid 43 and name HE*) 3.3 1.5 0.99 
assign (resid 73 and name HN)(resid 72 and name HA) 2.8 1 0.84 
assign (resid 74 and name HN)(resid 73 and name HN) 3.8 2 1.14 
assign (resid 74 and name HN)(resid 73 and name HA) 4.1 2.3 1.23 
assign (resid 77 and name HN)(resid 76 and name HB1) 3.7 1.9 1.11 
assign (resid 77 and name HN)(resid 74 and name HB1) 3.6 1.8 1.08 
assign (resid 77 and name HN)(resid 76 and name HB2) 3.8 2 1.14 
assign (resid 78 and name HN)(resid 46 and name HN) 3.2 1.4 0.96 
assign (resid 78 and name HN)(resid 77 and name HN) 3.3 1.5 0.99 
assign (resid 78 and name HN)(resid 77 and name HA) 2.2 0.4 0.66 
assign (resid 78 and name HN)(resid 77 and name HG*) 3.2 1.4 0.96 
assign (resid 78 and name HN)(resid 77 and name HB2) 3.8 2 1.14 
assign (resid 78 and name HN)(resid 77 and name HB1) 3.8 2 1.14 
assign (resid 79 and name HN)(resid 100 and name HA) 3.3 1.5 0.99 
assign (resid 79 and name HN)(resid 78 and name HA) 2.4 0.6 0.72 
assign (resid 79 and name HN)(resid 78 and name HB*) 3.2 1.4 0.96 
assign (resid 80 and name HN)(resid 44 and name HN) 3.3 1.5 0.99 
assign (resid 80 and name HN)(resid 79 and name HN) 3.6 1.8 1.08 
assign (resid 80 and name HN)(resid 79 and name HA) 2.7 0.9 0.81 
assign (resid 80 and name HN)(resid 79 and name HD*) 3.9 2.1 1.17 
assign (resid 80 and name HN)(resid 45 and name HA) 3.3 1.5 0.99 
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assign (resid 81 and name HN)(resid 98 and name HA) 3.1 1.3 0.93 
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assign (resid 81 and name HN)(resid 80 and name HB) 3.6 1.8 1.08 
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assign (resid 81 and name HN)(resid 96 and name HA) 3.8 2 1.14 
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assign (resid 82 and name HN)(resid 42 and name HN) 3.6 1.8 1.08 
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assign (resid 82 and name HN)(resid 42 and name HB*) 3.8 2 1.14 
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assign (resid 83 and name HN)(resid 82 and name HA) 2.7 0.9 0.81 
assign (resid 84 and name HN)(resid 41 and name HA) 3.3 1.5 0.99 
assign (resid 84 and name HN)(resid 40 and name HN) 3.4 1.6 1.02 
assign (resid 84 and name HN)(resid 83 and name HG) 3.1 1.3 0.93 
assign (resid 84 and name HN)(resid 83 and name HA) 2.5 0.7 0.75 
assign (resid 84 and name HN)(resid 83 and name HD*) 3.3 1.5 0.99 
assign (resid 84 and name HN)(resid 83 and name HB*) 3.4 1.6 1.02 
assign (resid 85 and name HN)(resid 84 and name HB*) 3.7 1.9 1.11 
assign (resid 85 and name HN)(resid 84 and name HG*) 4.4 2.6 1.32 
assign (resid 85 and name HN)(resid 94 and name HA) 3.4 1.6 1.02 
assign (resid 85 and name HN)(resid 84 and name HA) 2.7 0.9 0.81 
assign (resid 85 and name HN)(resid 84 and name HB*) 3.7 1.9 1.11 
assign (resid 85 and name HN)(resid 91 and name HG2*) 3.7 1.9 1.11 
assign (resid 86 and name HN)(resid 39 and name HA) 3.6 1.8 1.08 
assign (resid 87 and name HN)(resid 86 and name HD*) 3.9 2.1 1.17 
assign (resid 87 and name HN)(resid 86 and name HA) 2.5 0.7 0.75 
assign (resid 87 and name HN)(resid 90 and name HB) 3.1 1.3 0.93 
assign (resid 87 and name HN)(resid 91 and name HG2*) 3.9 2.1 1.17 
assign (resid 87 and name HN)(resid 86 and name HB*) 3.4 1.6 1.02 
assign (resid 90 and name HN)(resid 87 and name HN) 3.1 1.3 0.93 
assign (resid 90 and name HN)(resid 89 and name HB*) 4 2.2 1.2 
assign (resid 90 and name HN)(resid 89 and name HB1) 3.4 1.6 1.02 
assign (resid 91 and name HN)(resid 90 and name HA) 2.9 1.1 0.87 
assign (resid 92 and name HN)(resid 87 and name HN) 3.8 2 1.14 
assign (resid 92 and name HN)(resid 86 and name HA) 3 1.2 0.9 
assign (resid 92 and name HN)(resid 91 and name HA) 2.7 0.9 0.81 
assign (resid 92 and name HN)(resid 91 and name HG2*) 3.2 1.4 0.96 
assign (resid 92 and name HN)(resid 91 and name HB) 2.7 0.9 0.81 
assign (resid 92 and name HN)(resid 86 and name HD*) 4.5 2.7 1.35 
assign (resid 93 and name HN)(resid 92 and name HN) 2.5 0.7 0.75 
assign (resid 93 and name HN)(resid 86 and name HA) 3.6 1.8 1.08 
assign (resid 93 and name HN)(resid 92 and name HB*) 3.1 1.3 0.93 
assign (resid 93 and name HN)(resid 91 and (name HA) OR (name HB)) 3.4 1.6 1.02  
assign (resid 93 and name HN)(resid 91 and name HG2*) 3.5 1.7 1.05 
assign (resid 94 and name HN)(resid 93 and name HE*) 4.2 2.4 1.26 
assign (resid 94 and name HN)(resid 93 and name HD*) 3.1 1.3 0.93 
assign (resid 94 and name HN)(resid 93 and name HA) 2.4 0.6 0.72 
assign (resid 94 and name HN)(resid 93 and name HB2) 2.9 1 0.84 
assign (resid 94 and name HN)(resid 93 and name HB1) 2.9 1.1 0.87 
assign (resid 94 and name HN)(resid 84 and name HA) 3.3 1.5 0.99 
assign (resid 95 and name HN)(resid 83 and name HN) 3.2 1.4 0.96 
assign (resid 95 and name HN)(resid 93 and name HE*) 4.2 2.4 1.26 
assign (resid 95 and name HN)(resid 93 and name HD*) 3.6 1.8 1.08 
assign (resid 95 and name HN)(resid 94 and name HA) 2.4 0.6 0.72 
assign (resid 95 and name HN)(resid 84 and name HA) 3.2 1.4 0.96 
assign (resid 95 and name HN)(resid 94 and name HB*) 3.2 1.4 0.96 
assign (resid 95 and name HN)(resid 83 and name HB*) 3.9 2.1 1.17 
assign (resid 95 and name HN)(resid 84 and name HB*) 4.5 2.7 1.35 
assign (resid 95 and name HN)(resid 83 and name HG) 3.4 1.6 1.02 
assign (resid 95 and name HN)(resid 83 and name HD*) 4.4 2.6 1.32 
assign (resid 96 and name HN)(resid 95 and name HA) 2.8 1 0.84 
assign (resid 96 and name HN)(resid 95 and name HB*) 4.2 2.4 1.26 
assign (resid 97 and name HN)(resid 81 and name HN) 3 1.2 0.9 
assign (resid 97 and name HN)(resid 81 and name HB) 3.4 1.6 1.02 
assign (resid 97 and name HN)(resid 96 and name HA) 2.3 0.5 0.69 
assign (resid 97 and name HN)(resid 82 and name HA) 3.1 1.3 0.93 
assign (resid 97 and name HN)(resid 80 and name HA) 3.7 1.9 1.11 
assign (resid 97 and name HN)(resid 96 and name HB*) 3.1 1.3 0.93 
assign (resid 99 and name HN)(resid 98 and name HB2) 3.6 1.8 1.08 
assign (resid 99 and name HN)(resid 98 and name HB1) 3.4 1.6 1.02 
assign (resid 99 and name HN)(resid 80 and name HG*) 4.4 2.6 1.32 
assign (resid 99 and name HN)(resid 81 and name HN) 3.6 1.8 1.08 
assign (resid 99 and name HN)(resid 98 and name HA) 2.5 0.7 0.75 
assign (resid 99 and name HN)(resid 78 and name HA) 3.8 2 1.14 
assign (resid 99 and name HN)(resid 80 and name HA) 3.3 1.5 0.99 
assign (resid 99 and name HN)(resid 80 and name HB) 3.9 2.1 1.17 
assign (resid 99 and name HN)(resid 79 and name HN) 3.9 2.1 1.17 
assign (resid 99 and name HN)(resid 81 and name HN) 3.9 2.1 1.17 
assign (resid 100 and name HN)(resid 99 and name HA) 2.4 0.6 0.72 
assign (resid 100 and name HN)(resid 99 and name HB2) 3.8 2 1.14 
assign (resid 100 and name HN)(resid 99 and name HB1) 3.8 1.9 1.11
assign (resid 100 and name HE1)(resid 78 and name HB*) 3.6 1.8 1.08
assign (resid 100 and name HE1)(resid 103 and name HB) 3.5 1.7 1.05
assign (resid 100 and name HE1)(resid 103 and name HD*) 4.3 2.5 1.29
assign (resid 101 and name HN)(resid 100 and name HA) 2.7 0.9 0.81 
assign (resid 101 and name HN)(resid 78 and name HA) 3.6 1.8 1.08  
assign (resid 102 and name HN)(resid 78 and name HA) 3.8 2 1.14 
assign (resid 104 and name HN)(resid 100 and name HB1) 3.7 1.9 1.11
assign (resid 104 and name HN)(resid 100 and name HB2) 3.7 1.9 1.11 
assign (resid 106 and name HN)(resid 18 and name HN) 3.8 2 1.14
assign (resid 106 and name HN)(resid 17 and name HA) 3.2 1.4 0.96 

assign (resid 12 and name HA)(resid 29 and name HA)  2.5 0.7 0.75
assign (resid 14 and name HA)(resid 27 and name HA)  2.5 0.7 0.75
assign (resid 16 and name HA)(resid 25 and name HA)  2.3 0.5 0.69 
assign (resid 18 and name HA)(resid 23 and name HA)  2.5 0.9 0.75 
assign (resid 24 and name HA)(resid 67 and name HA)  2.3 0.5 0.69 
assign (resid 26 and name HA)(resid 65 and name HA)  2.3 0.5 0.69
assign (resid 39 and name HA)(resid 85 and name HA1) 2.7 0.6 0.72
assign (resid 39 and name HA)(resid 85 and name HA2) 2.7 0.6 0.72
assign (resid 41 and name HA)(resid 83 and name HA)  2.4 0.6 0.72
assign (resid 42 and name HA)(resid 54 and name HA)  2.3 0.5 0.69 
assign (resid 43 and name HA)(resid 81 and name HA)  2.4 0.6 0.72 
assign (resid 45 and name HA)(resid 79 and name HA)  2.3 0.7 0.75
assign (resid 86 and name HA)(resid 91 and name HA)  2.4 0.6 0.72
assign (resid 84 and name HA)(resid 94 and name HA)  2.3 0.5 0.69
assign (resid 82 and name HA)(resid 96 and name HA)  2.1 0.3 0.63 
assign (resid 80 and name HA)(resid 98 and name HA)  2.1 0.3 0.63 
assign (resid 78 and name HA)(resid 100 and name HA) 2.5 0.7 0.75

assign (resid 12 and name HA)(resid 29 and name HB1) 2.9 1.1 0.87
assign (resid 13 and name HB)(resid 28 and name HB1) 2.4 0.6 0.72
assign (resid 13 and name HB)(resid 28 and name HB2) 2.6 0.8 0.78
assign (resid 13 and name HB)(resid 28 and name HG*) 2.7 0.9 0.81
assign (resid 14 and name HA)(resid 27 and name HB*) 2.9 1.1 0.87
assign (resid 14 and name HB2)(resid 25 and name HD*) 3.5 1.7 1.05
assign (resid 14 and name HB1)(resid 25 and name HD*) 3.6 1.8 1.08
assign (resid 14 and name HB1)(resid 99 and name HZ) 3.1 1.3 0.93
assign (resid 14 and name HB2)(resid 99 and name HZ) 3.2 1.4 0.96
assign (resid 16 and name HA)(resid 25 and name HB1) 2.6 0.8 0.78
assign (resid 16 and name HA)(resid 25 and name HB2) 2.7 0.9 0.81
assign (resid 16 and name HB)(resid 25 and name HA) 3.1 1.3 0.93
assign (resid 16 and name HG12)(resid 25 and name HA) 2.8 1 0.84
assign (resid 16 and name HG11)(resid 25 and name HA) 3.2 1.4 0.96
assign (resid 16 and name HG1*)(resid 72 and name HZ3) 3.2 1.4 0.96
assign (resid 17 and name HA)(resid 106 and name HB*) 3.3 1.5 0.99
assign (resid 17 and name HA)(resid 15 and name HG*) 3.2 1.4 0.96
assign (resid 17 and name HA)(resid 16 and name HG2*) 3.3 1.5 0.99
assign (resid 17 and name HB1)(resid 24 and name HB) 2.9 1.1 0.87
assign (resid 17 and name HB2)(resid 24 and name HB) 2.9 1.1 0.87
assign (resid 17 and name HB1)(resid 24 and name HD1*) 3.5 1.7 1.05
assign (resid 17 and name HB2)(resid 24 and name HD1*) 3.3 1.5 0.99
assign (resid 19 and name HB1)(resid 24 and name HD1*) 3.2 1.4 0.96
assign (resid 19 and name HB2)(resid 24 and name HD1*) 3.5 1.7 1.05
assign (resid 20 and name HA)(resid 21 and name HD*) 3.2 1.4 0.96
assign (resid 21 and name HA)(resid 18 and name HD1*) 2.8 1 0.84
assign (resid 21 and name HA)(resid 18 and name HD2*) 2.8 1 0.84
assign (resid 21 and name HA)(resid 18 and name HG) 2.4 0.6 0.72
assign (resid 21 and name HB1)(resid 18 and name HD*) 3.6 1.8 1.08
assign (resid 21 and name HB2)(resid 18 and name HD*) 3.6 1.8 1.08
assign (resid 21 and name HB2)(resid 18 and name HG) 3.1 1.3 0.93
assign (resid 21 and name HB1)(resid 18 and name HG) 3.2 1.4 0.96
assign (resid 22 and name HA)(resid 18 and name HD*) 3.4 1.6 1.02
assign (resid 22 and name HA)(resid 69 and name HG2*) 2.9 1.1 0.87
assign (resid 23 and name HA)(resid 18 and name HD1*) 3.3 1.5 0.99
assign (resid 23 and name HA)(resid 18 and name HD2*) 3.3 1.5 0.99
assign (resid 23 and name HB1)(resid 16 and name HD1*) 3 1.2 0.9
assign (resid 23 and name HB2)(resid 16 and name HD1*) 3.1 1.3 0.93
assign (resid 24 and name HA)(resid 67 and name HB*) 2.6 0.8 0.78
assign (resid 24 and name HA)(resid 68 and name HG) 2.1 0.3 0.63
assign (resid 24 and name HB)(resid 67 and name HA) 3 1.2 0.9
assign (resid 26 and name HA)(resid 24 and name HG2*) 3.4 1.6 1.02
assign (resid 26 and name HB*)(resid 15 and name HB*) 3.1 1.3 0.93
assign (resid 27 and name HA)(resid 14 and name HE*) 3.2 1.4 0.96
assign (resid 27 and name HA)(resid 28 and name HB2) 2.9 1.1 0.87
assign (resid 28 and name HA)(resid 29 and name HD1*) 3.4 1.6 1.02
assign (resid 36 and name HA)(resid 37 and name HG2*) 3.5 1.7 1.05
assign (resid 36 and name HA)(resid 92 and name HD*) 2.9 1.1 0.87
assign (resid 36 and name HB*)(resid 92 and name HD*) 3.5 1.7 1.05
assign (resid 38 and name HA)(resid 62 and name HA) 2.2 0.4 0.66
assign (resid 38 and name HA)(resid 62 and name HB) 2.5 0.7 0.75
assign (resid 38 and name HA)(resid 62 and name HG2*) 2.6 0.8 0.78
assign (resid 39 and name HA)(resid 83 and name HD1*) 3.3 1.5 0.99
assign (resid 40 and name HA)(resid 42 and name HD2*) 3.5 1.7 1.05
assign (resid 40 and name HA)(resid 59 and name HA) 2.2 0.4 0.66
assign (resid 41 and name HB1)(resid 66 and name HB1) 3.1 1.3 0.93
assign (resid 41 and name HB1)(resid 66 and name HB2) 3.1 1.3 0.93
assign (resid 41 and name HB2)(resid 66 and name HB1) 3.1 1.3 0.93
assign (resid 41 and name HB2)(resid 66 and name HB2) 3.1 1.3 0.93
assign (resid 43 and name HA)(resid 81 and name HB) 3 1.2 0.9	
assign (resid 43 and name HA)(resid 81 and name HG2*) 3.2 1.4 0.96
assign (resid 44 and name HA)(resid 43 and name HD*) 3 1.2 0.9	
assign (resid 44 and name HA)(resid 43 and name HE*) 3.2 1.4 0.96
assign (resid 44 and name HA)(resid 52 and name HD*) 3.5 1.7 1.05
assign (resid 45 and name HA)(resid 77 and name HB*) 2.7 0.9 0.81   
assign (resid 48 and name HA)(resid 49 and name HD1) 2.2 0.4 0.66   
assign (resid 48 and name HA)(resid 49 and name HD2) 2.1 0.3 0.63   
assign (resid 49 and name HA)(resid 44 and name HG2*) 2.5 0.7 0.75  
assign (resid 49 and name HA)(resid 80 and name HG*) 3.4 1.6 1.02   
assign (resid 49 and name HB1)(resid 44 and name HG2*) 3.5 1.7 1.05 
assign (resid 49 and name HB2)(resid 44 and name HG2*) 3.5 1.7 1.05 
assign (resid 51 and name HB1)(resid 48 and name HB1) 2.7 0.9 0.81  
assign (resid 51 and name HB2)(resid 48 and name HB1) 2.7 0.9 0.81  
assign (resid 51 and name HB2)(resid 48 and name HB1) 2.7 0.9 0.81  
assign (resid 51 and name HB2)(resid 48 and name HB2) 2.7 0.9 0.81  
assign (resid 51 and name HB2)(resid 48 and name HG*) 3.4 1.6 1.02  
assign (resid 51 and name HB2)(resid 48 and name HG*) 3.4 1.6 1.02  
assign (resid 52 and name HA)(resid 44 and name HA) 2.7 0.9 0.81    
assign (resid 52 and name HA)(resid 44 and name HB) 2.2 0.4 0.66    
assign (resid 53 and name HA)(resid 42 and name HD*) 3.2 1.4 0.96
assign (resid 53 and name HA)(resid 54 and name HG*) 3.6 1.8 1.08
assign (resid 54 and name HA)(resid 40 and name HG2*) 3.1 1.3 0.93
assign (resid 54 and name HA)(resid 42 and name HB*) 2.6 0.8 0.78
assign (resid 55 and name HA)(resid 53 and name HB*) 2.8 1 0.84	 
assign (resid 55 and name HA)(resid 53 and name HG*) 2.8 1 0.84	
assign (resid 57 and name HB*)(resid 55 and name HG*) 3.5 1.7 1.05
assign (resid 58 and name HA)(resid 61 and name HB) 2.3 0.5 0.69
assign (resid 58 and name HB1)(resid 41 and name HB1) 3.0 1.2 0.90
assign (resid 58 and name HB1)(resid 41 and name HB2) 3.0 1.2 0.90
assign (resid 58 and name HB2)(resid 41 and name HB1) 3.0 1.2 0.90
assign (resid 58 and name HB2)(resid 41 and name HB2) 3.0 1.2 0.90
assign (resid 58 and name HB2)(resid 55 and name HB) 2.8 1.0 0.84
assign (resid 58 and name HB1)(resid 55 and name HB) 2.8 1.0 0.84	 
assign (resid 58 and name HB1)(resid 55 and name HG*) 3.4 1.6 1.02
assign (resid 58 and name HB2)(resid 55 and name HG*) 3.4 1.6 1.02
assign (resid 58 and name HB1)(resid 61 and name HG2*) 3.4 1.6 1.02
assign (resid 58 and name HB2)(resid 61 and name HG2*) 3.4 1.6 1.02
assign (resid 59 and name HA)(resid 40 and name HB) 2.8 1 0.84	 
assign (resid 59 and name HA)(resid 54 and name HG*) 3 1.2 0.9	 
assign (resid 59 and name HA)(resid 61 and name HG2*) 3.2 1.4 0.96
assign (resid 60 and name HA)(resid 38 and name HA) 2.8 1 0.84
assign (resid 60 and name HA)(resid 38 and name HB1) 3 1.2 0.9	
assign (resid 60 and name HA)(resid 38 and name HB2) 3 1.2 0.9		
assign (resid 60 and name HA)(resid 38 and name HD2) 2.2 0.4 0.66
assign (resid 60 and name HB1)(resid 59 and name HB*) 3.6 1.8 1.08
assign (resid 60 and name HB2)(resid 59 and name HB*) 3.5 1.7 1.05
assign (resid 62 and name HA)(resid 38 and name HA) 2.3 0.5 0.69
assign (resid 62 and name HA)(resid 38 and name HB2) 3 1.2 0.9
assign (resid 62 and name HA)(resid 39 and name HE*) 3.3 1.5 0.99
assign (resid 64 and name HA)(resid 27 and name HH2) 2.9 1.1 0.87
assign (resid 64 and name HA)(resid 27 and name HZ2) 2.5 0.7 0.75
assign (resid 64 and name HA)(resid 39 and name HE*) 3.3 1.5 0.99
assign (resid 64 and name HB1)(resid 27 and name HZ2) 3.2 1.4 0.96
assign (resid 64 and name HB1)(resid 39 and name HE*) 3.4 1.6 1.02
assign (resid 64 and name HB2)(resid 27 and name HZ2) 3.2 1.4 0.96	 
assign (resid 64 and name HB2)(resid 39 and name HE*) 3.3 1.5 0.99
assign (resid 65 and name HA)(resid 24 and name HG2*) 3.2 1.4 0.96
assign (resid 66 and name HB*)(resid 58 and name HB*) 3.6 1.8 1.08
assign (resid 67 and name HA)(resid 24 and name HG2*) 2.5 0.7 0.75
assign (resid 67 and name HB1)(resid 24 and name HG2*) 3.1 1.3 0.93
assign (resid 67 and name HB2)(resid 24 and name HG2*) 3.1 1.3 0.93
assign (resid 68 and name HA)(resid 71 and name HB*) 2.8 1 0.84	 
assign (resid 68 and name HA)(resid 71 and name HG*) 3.1 1.3 0.93
assign (resid 69 and name HA)(resid 23 and name HB1) 2.8 1.0 0.84
assign (resid 69 and name HA)(resid 23 and name HB2) 2.8 1.0 0.84
assign (resid 71 and name HB*)(resid 68 and name HD*) 3.2 1.4 0.9
assign (resid 72 and name HA)(resid 79 and name HE*) 3.1 1.3 0.93
assign (resid 72 and name HB1)(resid 101 and name HD*) 3.5 1.7 1.05
assign (resid 72 and name HB2)(resid 101 and name HD*) 3.7 1.9 1.11
assign (resid 74 and name HB1)(resid 77 and name HB1) 3 1.2 0.9
assign (resid 74 and name HB1)(resid 77 and name HB2) 3 1.2 0.9	 
assign (resid 74 and name HB1)(resid 77 and name HG1) 2.8 1.0 0.84
assign (resid 74 and name HB1)(resid 77 and name HG2) 2.8 1.0 0.84
assign (resid 74 and name HB2)(resid 77 and name HB1) 3 1.2 0.9	
assign (resid 74 and name HB2)(resid 77 and name HB2) 3 1.2 0.9	 
assign (resid 74 and name HB2)(resid 77 and name HG1) 2.8 1.0 0.84
assign (resid 74 and name HB2)(resid 77 and name HG2) 2.8 1.0 0.84
assign (resid 75 and name HA)(resid 101 and name HB1) 3.1 1.3 0.93
assign (resid 75 and name HA)(resid 101 and name HB2) 3.1 1.3 0.93
assign (resid 75 and name HB)(resid 101 and name HB1) 3.6 1.8 1.08
assign (resid 75 and name HB)(resid 101 and name HB2) 3.6 1.8 1.08
assign (resid 75 and name HA)(resid 102 and name HB*) 4.2 2.4 1.26 
assign (resid 75 and name HB)(resid 102 and name HB*) 3.5 1.7 1.05
assign (resid 77 and name HA)(resid 45 and name HG2*) 3.5 1.7 1.05
assign (resid 77 and name HA)(resid 78 and name HB*) 2.9 1.1 0.87
assign (resid 83 and name HB*)(resid 14 and name HE*) 3.2 1.4 0.96
assign (resid 80 and name HA)(resid 44 and name HG2*) 3.5 1.7 1.05
assign (resid 81 and name HA)(resid 43 and name HB1) 2.8 1 0.84	 
assign (resid 81 and name HA)(resid 43 and name HB2) 2.5 0.7 0.75
assign (resid 81 and name HB)(resid 72 and name HH2) 3 1.2 0.9	 
assign (resid 81 and name HB)(resid 72 and name HZ2) 3 1.2 0.9	 
assign (resid 81 and name HB)(resid 99 and name HD*) 3.1 1.3 0.93
assign (resid 81 and name HB)(resid 99 and name HE*) 2.8 1 0.84	 
assign (resid 82 and name HA)(resid 96 and name HB*) 3 1.2 0.9	 
assign (resid 83 and name HG)(resid 14 and name HD*) 3.5 1.7 1.05
assign (resid 83 and name HG)(resid 14 and name HE*) 3 1.2 0.9	 
assign (resid 84 and name HA)(resid 94 and name HB*) 3 1.2 0.9	 
assign (resid 84 and name HB1)(resid 40 and name HB) 2.8 1 0.84	 
assign (resid 84 and name HB1)(resid 82 and name HG*) 3.4 1.6 1.02
assign (resid 84 and name HB1)(resid 86 and name HE*) 3.2 1.4 0.96
assign (resid 84 and name HB1)(resid 86 and name HZ) 2.9 1.1 0.87
assign (resid 84 and name HB2)(resid 40 and name HB) 2.8 1 0.84	 
assign (resid 84 and name HB2)(resid 82 and name HG*) 3.3 1.5 0.99
assign (resid 84 and name HB2)(resid 86 and name HE*) 3.2 1.4 0.96
assign (resid 84 and name HB2)(resid 86 and name HZ) 2.9 1.1 0.87
assign (resid 84 and name HG1)(resid 82 and name HG*) 2.9 1.1 0.87 
assign (resid 84 and name HG1)(resid 94 and name HB*) 3.1 1.3 0.93
assign (resid 84 and name HG2)(resid 82 and name HG*) 2.9 1.1 0.87
assign (resid 84 and name HG2)(resid 94 and name HB*) 3.1 1.3 0.93
assign (resid 86 and name HA)(resid 90 and name HG2*) 3.2 1.4 0.96
assign (resid 87 and name HA)(resid 93 and name HE*) 3.3 1.5 0.99
assign (resid 91 and name HA)(resid 92 and name HB1) 2.9 1.1 0.87
assign (resid 94 and name HA)(resid 82 and name HG*) 3.3 1.5 0.99
assign (resid 94 and name HA)(resid 84 and name HB1) 3.0 1.2 0.90
assign (resid 94 and name HA)(resid 84 and name HB2) 3.0 1.2 0.90
assign (resid 94 and name HA)(resid 84 and name HG1) 2.9 1.1 0.87
assign (resid 94 and name HA)(resid 84 and name HG2) 2.9 1.1 0.87
assign (resid 94 and name HA)(resid 93 and name HD*) 3 1.2 0.9	 
assign (resid 94 and name HB1)(resid 82 and name HG*) 2.8 1.0 0.84
assign (resid 94 and name HB2)(resid 82 and name HG*) 2.8 1.0 0.84
assign (resid 95 and name HB1)(resid 14 and name HE*) 3.4 1.6 1.02
assign (resid 95 and name HB2)(resid 14 and name HE*) 3.4 1.6 1.02
assign (resid 96 and name HA)(resid 14 and name HE*) 3.2 1.4 0.96
assign (resid 96 and name HA)(resid 82 and name HG2*) 2.6 0.8 0.78
assign (resid 96 and name HB1)(resid 82 and name HG*) 2.9 1.1 0.87
assign (resid 96 and name HB2)(resid 82 and name HG*) 2.8 1 0.84
assign (resid 97 and name HB1)(resid 14 and name HD*) 3.4 1.6 1.02
assign (resid 97 and name HB1)(resid 99 and name HE*) 3.3 1.5 0.99
assign (resid 97 and name HB2)(resid 14 and name HD*) 3.4 1.6 1.02
assign (resid 97 and name HB2)(resid 99 and name HE*) 3.5 1.7 1.05
assign (resid 98 and name HB1)(resid 80 and name HG*) 3.7 1.9 1.11
assign (resid 98 and name HB2)(resid 80 and name HG*) 3.8 2 1.14
assign (resid 100 and name HA)(resid 103 and name HB) 3.1 1.3 0.93
assign (resid 100 and name HB*)(resid 103 and name HB)   2.8 1 0.84
assign (resid 100 and name HB*)(resid 103 and name HG*)  3.2 1.4 0.96
assign (resid 107 and name HA)(resid 18 and name HB2) 2.7 0.9 0.81	
assign (resid 107 and name HA)(resid 18 and name HB1) 2.7 0.9 0.81
assign (resid 13 and name HG2*)(resid 11 and name HB*) 3.9 2.1 1.17	
assign (resid 13 and name HG2*)(resid 15 and name HE*) 3.2 1.4 0.96	
assign (resid 13 and name HG2*)(resid 15 and name HB*) 3.0 1.2 0.90	
assign (resid 13 and name HG2*)(resid 28 and name HB1) 3.4 1.2 1.02	
assign (resid 13 and name HG2*)(resid 28 and name HB2) 3.4 1.6 1.02	
assign (resid 13 and name HG2*)(resid 28 and name HG*) 3.6 1.8 1.08	
assign (resid 16 and name HD1*)(resid 23 and name HA) 3.1 1.3 0.93	
assign (resid 16 and name HD1*)(resid 23 and name HB1) 3.2 1.4 0.96	
assign (resid 16 and name HD1*)(resid 23 and name HB2) 3.2 1.4 0.96	
assign (resid 16 and name HD1*)(resid 25 and name HA) 2.9 1.1 0.87	
assign (resid 16 and name HD1*)(resid 25 and name HB1) 2.9 0.5 0.69	
assign (resid 16 and name HD1*)(resid 25 and name HB2) 2.9 1.1 0.87	
assign (resid 16 and name HD1*)(resid 72 and name HE3) 3.6 1.8 1.08
assign (resid 16 and name HD1*)(resid 72 and name HH2) 3.3 1.5 0.99
assign (resid 16 and name HD1*)(resid 72 and name HZ*) 3.5 1.7 1.05	
assign (resid 16 and name HD1*)(resid 68 and name HD1*) 4.2 2.4 1.26	
assign (resid 16 and name HD1*)(resid 68 and name HD2*) 3.4 1.6 1.02	
assign (resid 16 and name HD1*)(resid 99 and name HZ) 3.2 1.4 0.96
assign (resid 16 and name HD1*)(resid 101 and name HD1*) 3.5 1.7 1.05	
assign (resid 16 and name HD1*)(resid 101 and name HD2*) 3.5 1.7 1.05	
assign (resid 18 and name HD*)(resid 101 and name HB*) 2.9 1.1 0.87	
assign (resid 18 and name HD*)(resid 105 and name HB*) 3.3 1.5 0.99	
assign (resid 18 and name HD*)(resid 21 and name HB*) 3 1.2 0.9	
assign (resid 24 and name HG2*)(resid 26 and name HB1) 3.1 1.3 0.93	
assign (resid 24 and name HG2*)(resid 26 and name HB2) 3.5 1.7 1.05	
assign (resid 24 and name HG2*)(resid 65 and name HB1) 3.2 1.4 0.96	
assign (resid 24 and name HG2*)(resid 65 and name HB2) 3.2 1.4 0.96	
assign (resid 24 and name HG2*)(resid 67 and name HA) 3.1 1.3 0.93
assign (resid 25 and name HD*)(resid 16 and name HD1*) 3.8 2 1.14	
assign (resid 25 and name HD*)(resid 68 and name HB*) 3 1.2 0.9	
assign (resid 25 and name HD*)(resid 68 and name HD2*) 4.2 2.4 1.26	
assign (resid 25 and name HD*)(resid 72 and name HZ2) 3.7 1.9 1.11	
assign (resid 25 and name HD*)(resid 79 and name HE*) 4 2.2 1.2	
assign (resid 25 and name HD*)(resid 81 and name HA) 3.7 1.9 1.11	
assign (resid 25 and name HD*)(resid 81 and name HB) 3.9 2.1 1.17	
assign (resid 25 and name HD*)(resid 99 and name HD*) 4.1 2.3 1.23	
assign (resid 29 and name HD*)(resid 11 and name HB*) 3.8 2 1.14	
assign (resid 29 and name HD*)(resid 12 and name HA) 2.9 1.1 0.87	
assign (resid 29 and name HD*)(resid 27 and name HD1) 3.2 1.4 0.96	
assign (resid 29 and name HD*)(resid 27 and name HE3) 3 1.2 0.9	
assign (resid 29 and name HD*)(resid 27 and name HZ2) 3 1.2 0.9	
assign (resid 29 and name HD*)(resid 39 and name HE*) 2.9 1.1 0.87	
assign (resid 29 and name HD*)(resid 83 and name HD*) 3.9 2.1 1.17
assign (resid 37 and name HG2*)(resid 38 and name HA) 2.7 0.9 0.81	
assign (resid 40 and name HG2*)(resid 42 and name HA) 3.9 2.1 1.17	
assign (resid 40 and name HG2*)(resid 42 and name HB*) 2.7 0.9 0.81	
assign (resid 40 and name HG2*)(resid 42 and name HD*) 3.4 1.6 1.02	
assign (resid 40 and name HG2*)(resid 54 and name HB) 3.4 1.6 1.02	
assign (resid 40 and name HG2*)(resid 54 and name HG1*) 3.1 1.3 0.93	
assign (resid 40 and name HG2*)(resid 54 and name HG2*) 3.1 1 0.84	
assign (resid 40 and name HG2*)(resid 59 and name HA) 2.6 0.8 0.78	
assign (resid 41 and name HD*)(resid 81 and name HB) 3.6 1.8 1.08	
assign (resid 41 and name HD*)(resid 81 and name HG2*) 3.8 2 1.14
assign (resid 41 and name HD*)(resid 66 and name HB1) 3.1 1.3 0.93
assign (resid 41 and name HD*)(resid 66 and name HB2) 3.1 1.3 0.93
assign (resid 41 and name HD*)(resid 58 and name HB*) 3.3 1.5 0.99	
assign (resid 42 and name HD*)(resid 54 and name HA) 2.8 1 0.84	
assign (resid 42 and name HD*)(resid 54 and name HB) 3.1 1.3 0.93	
assign (resid 42 and name HD*)(resid 82 and name HB) 3 1.2 0.9
assign (resid 42 and name HD*)(resid 40 and name HB) 2.9 1.1 0.87	
assign (resid 42 and name HD*)(resid 54 and name HB) 3.3 1.5 0.99	
assign (resid 42 and name HD*)(resid 54 and name HG*) 3.2 1.4 0.96	
assign (resid 42 and name HD*)(resid 83 and name HA) 3.6 1.8 1.08	
assign (resid 42 and name HD*)(resid 84 and name HA) 3.6 1.8 1.08	
assign (resid 42 and name HD*)(resid 84 and name HB1) 2.3 0.5 0.69	
assign (resid 42 and name HD*)(resid 84 and name HB2) 2.7 0.9 0.81	
assign (resid 42 and name HD*)(resid 84 and name HG*) 3.3 1.5 0.99	
assign (resid 44 and name HG2*)(resid 80 and name HB) 2.5 0.7 0.75	
assign (resid 44 and name HG2*)(resid 80 and name HG*) 2.9 1.1 0.87	
assign ((resid 44 and name HG2*) OR (resid 45 and name HG1*))((resid 52 and name HA) OR (resid 46 and name HA)) 2.8 1 0.84	
assign (resid 44 and name HG2*)(resid 52 and name HD*) 2.9 1.1 0.87	
assign (resid 44 and name HG2*)(resid 52 and name HG) 3 1.2 0.9	
assign (resid 45 and name HG2*)(resid 43 and name HE*) 3.6 1.8 1.08	
assign (resid 45 and name HG2*)(resid 77 and name HB*) 2.9 1.1 0.87	
assign (resid 45 and name HG2*)(resid 77 and name HG*) 3.4 1.6 1.02	
assign (resid 45 and name HG2*)(resid 78 and name HA) 3.5 1.7 1.05	
assign (resid 45 and name HG2*)(resid 79 and name HA) 3 1.2 0.9
assign (resid 45 and name HG2*)(resid 79 and name HE1) 3.2 1.4 0.96	
assign (resid 46 and name HE*)(resid 100 and name HZ2) 3.8 2.0 1.14	
assign (resid 46 and name HE*)(resid 100 and name HZ3) 4.6 2.8 1.38	
assign (resid 46 and name HE*)(resid 78 and name HB*) 3.7 1.9 1.11	
assign (resid 46 and name HE*)(resid 80 and name HG*) 4.1 2.3 1.23	
assign (resid 46 and name HE*)(resid 98 and name HA) 4.6 2.8 1.38	
assign (resid 52 and name HD1*)(resid 43 and name HA) 3.2 1.4 0.96
assign (resid 52 and name HD2*)(resid 43 and name HA) 3.2 1.4 0.96	
assign (resid 52 and name HD*)(resid 43 and name HB1) 3.6 1.8 1.08	
assign (resid 52 and name HD*)(resid 43 and name HB2) 3.4 1.6 1.02	
assign (resid 52 and name HD*)(resid 44 and name HB) 3.3 1.5 0.99	
assign (resid 52 and name HD*)(resid 44 and name HG2*) 2.9 1.1 0.87	
assign (resid 52 and name HD1*)(resid 81 and name HA) 3.3 1.5 0.99
assign (resid 52 and name HD2*)(resid 81 and name HA) 3.3 1.5 0.99	
assign (resid 52 and name HD*)(resid 81 and name HB) 3.6 1.8 1.08	
assign (resid 52 and name HD*)(resid 82 and name HB) 2.5 0.7 0.75	
assign (resid 55 and name HG*)(resid 68 and name HD*) 3.3 1.5 0.99	
assign (resid 55 and name HG*)(resid 42 and name HA) 3.2 1.4 0.96	
assign (resid 55 and name HG*)(resid 43 and name HB*) 3.6 1.8 1.08	
assign (resid 55 and name HG*)(resid 43 and name HD*) 3.7 1.9 1.11	
assign (resid 55 and name HG*)(resid 43 and name HE*) 3.1 1.3 0.93	
assign (resid 55 and name HG*)(resid 53 and name HB1) 3.2 1.4 0.96	
assign (resid 55 and name HG*)(resid 53 and name HB2) 3.2 1.4 0.96	
assign (resid 55 and name HG*)(resid 53 and name HG*) 3.2 1.4 0.96	
assign (resid 59 and name HB*)(resid 40 and name HA) 3.1 1.3 0.93	
assign (resid 59 and name HB*)(resid 40 and name HB) 3.5 1.7 1.05	
assign (resid 61 and name HG2*)(resid 27 and name HH2) 3.2 1.4 0.96	
assign (resid 61 and name HG2*)(resid 27 and name HZ2) 3 1.2 0.9	
assign (resid 61 and name HG2*)(resid 27 and name HZ3) 3.8 2 1.14	
assign (resid 61 and name HG2*)(resid 39 and name HA) 3.7 1.9 1.11	
assign (resid 61 and name HG2*)(resid 39 and name HB1) 2.9 1.1 0.87	
assign (resid 61 and name HG2*)(resid 39 and name HB2) 3 1.2 0.9	
assign (resid 61 and name HG2*)(resid 39 and name HD*) 3.6 1.8 1.08	
assign (resid 61 and name HG2*)(resid 40 and name HA) 3.4 1.6 1.02	
assign (resid 61 and name HG2*)(resid 58 and name HA) 2.8 1 0.84	
assign (resid 62 and name HG2*)(resid 38 and name HB1) 3.5 1.7 1.05	
assign (resid 62 and name HG2*)(resid 38 and name HB2) 3.3 1.5 0.99	
assign (resid 62 and name HG2*)(resid 38 and name HD2) 3.6 1.8 1.08	
assign (resid 68 and name HD*)(resid 24 and name HB) 3.1 1.3 0.93	
assign (resid 68 and name HD1*)(resid 25 and name HB1) 2.5 0.7 0.75	
assign (resid 68 and name HD1*)(resid 25 and name HB2) 4 2.2 1.2	
assign (resid 68 and name HD*)(resid 25 and name HD*) 3 1.2 0.9	
assign (resid 68 and name HD*)(resid 71 and name HG*) 3.8 2 1.14	
assign (resid 68 and name HD*)(resid 79 and name HB1) 3.8 2 1.14	
assign (resid 68 and name HD*)(resid 79 and name HB2) 3.5 1.7 1.05	
assign (resid 68 and name HD2*)(resid 25 and name HB1) 2.8 1 0.84	
assign (resid 68 and name HD2*)(resid 25 and name HB2) 3 1.2 0.9	
assign (resid 68 and name HD2*)(resid 25 and name HD1*) 3.1 1.3 0.93	
assign (resid 68 and name HD2*)(resid 25 and name HD2*) 3.3 1.5 0.99	
assign (resid 75 and name HG2*)(resid 101 and name HB1) 3.5 1.7 1.05
assign (resid 75 and name HG2*)(resid 101 and name HB2) 3.5 1.7 1.05	
assign (resid 78 and name HB*)(resid 100 and name HA) 3 1.2 0.9
assign (resid 78 and name HB*)(resid 100 and name HB1) 3.6 1.8 1.08
assign (resid 78 and name HB*)(resid 100 and name HB2) 3.6 1.8 1.08
assign (resid 78 and name HB*)(resid 100 and name HE3) 3.5 1.7 1.05	
assign (resid 78 and name HB*)(resid 100 and name HZ3) 3.6 1.8 1.08	
assign (resid 78 and name HB*)(resid 46 and name HA) 3.5 1.7 1.05	
assign (resid 78 and name HB*)(resid 46 and name HB1) 2.6 0.8 0.78	
assign (resid 78 and name HB*)(resid 46 and name HB2) 2.7 0.9 0.81	
assign (resid 78 and name HB*)(resid 46 and name HE*) 3.2 1.4 0.96	
assign (resid 78 and name HB*)(resid 46 and name HG*) 2.8 1 0.84	
assign (resid 78 and name HB*)(resid 98 and name HB1) 3.3 1.5 0.99	
assign (resid 78 and name HB*)(resid 98 and name HB2) 3.3 1.5 0.99	
assign (resid 80 and name HG1*)(resid 44 and name HG2*) 3.2 1.4 0.96	
assign (resid 80 and name HG1*)(resid 45 and name HA) 3.5 1.7 1.05	
assign (resid 80 and name HG1*)(resid 46 and name HA) 2.6 0.8 0.78	
assign (resid 80 and name HG1*)(resid 46 and name HB1) 2.6 0.8 0.78	
assign (resid 80 and name HG1*)(resid 46 and name HB2) 3.1 1.3 0.93	
assign (resid 80 and name HG1*)(resid 46 and name HE*) 3.2 1.4 0.96	
assign (resid 80 and name HG1*)(resid 46 and name HG*) 2.7 0.9 0.81	
assign (resid 80 and name HG1*)(resid 98 and name HA) 3.1 1.3 0.93	
assign (resid 80 and name HG2*)(resid 44 and name HA) 3.5 1.7 1.05	
assign (resid 80 and name HG2*)(resid 45 and name HA) 3.5 1.7 1.05	
assign (resid 80 and name HG2*)(resid 46 and name HA) 2.9 1.1 0.87	
assign (resid 80 and name HG2*)(resid 46 and name HB1) 2.6 0.8 0.78	
assign (resid 80 and name HG2*)(resid 98 and name HA) 3.4 1.6 1.02	
assign (resid 81 and name HG2*)(resid 25 and name HB2) 3.4 1.6 1.02	
assign (resid 81 and name HG2*)(resid 25 and name HD1*) 3 1.2 0.9	
assign (resid 81 and name HG2*)(resid 25 and name HD2*) 3.2 1.4 0.96	
assign (resid 81 and name HG2*)(resid 43 and name HA) 3.3 1.5 0.99	
assign (resid 81 and name HG2*)(resid 43 and name HB1) 3.3 1.5 0.99	
assign (resid 81 and name HG2*)(resid 43 and name HB2) 3.3 1.5 0.99	
assign (resid 81 and name HG2*)(resid 43 and name HD*) 3.6 1.8 1.08	
assign (resid 81 and name HG2*)(resid 72 and name HZ3) 4.2 2.4 1.26	
assign (resid 81 and name HG2*)(resid 72 and name HZ2) 2.8 1 0.84
assign (resid 81 and name HG2*)(resid 72 and name HH2) 2.8 1 0.84	
assign (resid 81 and name HG2*)(resid 79 and name HE*) 3.9 2.1 1.17	
assign (resid 81 and name HG2*)(resid 99 and name HD*) 3.7 1.9 1.11	
assign (resid 81 and name HG2*)(resid 99 and name HE*) 3.4 1.6 1.02	
assign (resid 81 and name HG2*)(resid 99 and name HZ) 2.9 1.1 0.87		
assign (resid 83 and name HD1*)(resid 27 and name HD1) 3.7 1.9 1.11	
assign (resid 83 and name HD1*)(resid 27 and name HH2) 3.6 1.8 1.08	
assign (resid 83 and name HD1*)(resid 39 and name HB1) 3.4 1.6 1.02	
assign (resid 83 and name HD1*)(resid 39 and name HB2) 3.4 1.6 1.02
assign (resid 83 and name HD1*)(resid 39 and name HD*) 3.5 1.7 1.05
assign (resid 83 and name HD1*)(resid 41 and name HA) 3.1 1.3 0.93	
assign (resid 83 and name HD1*)(resid 41 and name HB1) 3.4 1.6 1.02	
assign (resid 83 and name HD1*)(resid 41 and name HB2) 3.7 1.9 1.11	
assign (resid 83 and name HD1*)(resid 41 and name HD1*) 3.1 1.3 0.93	
assign (resid 83 and name HD1*)(resid 41 and name HG) 3.3 1.5 0.99	
assign (resid 83 and name HD1*)(resid 93 and name HZ) 3.1 1.3 0.93	
assign (resid 83 and name HD2*)(resid 27 and name HD1) 3.4 1.6 1.02	
assign (resid 83 and name HD2*)(resid 39 and name HB1) 3.4 1.6 1.02	
assign (resid 83 and name HD2*)(resid 39 and name HB2) 3.4 1.4 0.96
assign (resid 83 and name HD2*)(resid 39 and name HD*) 3.5 1.7 1.05	
assign (resid 83 and name HD2*)(resid 41 and name HD*) 3.6 1.8 1.08	
assign (resid 83 and name HD2*)(resid 93 and name HE*) 3.2 1.4 0.96	
assign (resid 83 and name HD2*)(resid 93 and name HZ) 2.8 1 0.84	
assign (resid 83 and name HD2*)(resid 95 and name HB*) 3.7 1.9 1.11	
assign (resid 90 and name HG2*)(resid 87 and name HB*) 4.0 2.2 1.20	
assign (resid 91 and name HG2*)(resid 86 and name HA) 3.2 1.4 0.96	
assign (resid 91 and name HG2*)(resid 86 and name HD*) 4.1 2.3 1.23	
assign (resid 91 and name HG2*)(resid 86 and name HE*) 3.9 2.1 1.17	
assign (resid 91 and name HG2*)(resid 86 and name HZ) 3.5 1.7 1.05	
assign (resid 92 and name HD*)(resid 87 and name HB1) 3.2 0.9 0.81	
assign (resid 92 and name HD*)(resid 87 and name HB2) 3.4 1.6 1.02		
assign (resid 101 and name HD1*)(resid 72 and name HB1) 3.1 1.3 0.93	
assign (resid 101 and name HD1*)(resid 72 and name HB2) 3.1 1.3 0.93	
assign (resid 101 and name HD2*)(resid 72 and name HB1) 3.1 1.3 0.93	
assign (resid 101 and name HD2*)(resid 72 and name HB2) 3.1 1.3 0.93
assign (resid 101 and name HD*)(resid 72 and name HA) 3.7 1.9 1.11			
assign (resid 101 and name HD*)(resid 99 and name HB*) 3.2 1.4 0.96	
assign (resid 102 and name HB*)(resid 76 and name HA) 3.8 2 1.14	
assign (resid 102 and name HB*)(resid 77 and name HA) 3.2 1.4 0.96	
assign (resid 103 and name HD1*)(resid 100 and name HA) 3.7 1.9 1.11	
assign (resid 103 and name HD1*)(resid 100 and name HB*) 3.2 1.4 0.96	
assign (resid 103 and name HG2*)(resid 100 and name HB*) 3.3 1.5 0.99	
assign (resid 105 and name HE*)(resid 18 and name HA) 3.8 2.0 1.14	
assign (resid 105 and name HE*)(resid 23 and name HA) 3.6 1.8 1.08	
assign (resid 105 and name HE*)(resid 23 and name HB*) 3.9 2.1 1.17	
assign (resid 14 and name HD*)(resid 83 and name HD1*) 3.3 1.5 0.99	
assign (resid 14 and name HD*)(resid 83 and name HD2*) 3.3 1.5 0.99		
assign (resid 14 and name HE*)(resid 83 and name HD1*) 3.5 1.7 1.05	
assign (resid 14 and name HE*)(resid 83 and name HD2*) 3.1 1.3 0.93	
assign (resid 27 and name HD1)(resid 83 and name HD1*) 3.5 1.7 1.05	
assign (resid 27 and name HD1)(resid 83 and name HD2*) 3.5 1.7 1.05
assign (resid 27 and name HD1)(resid 28 and name HA) 3.1 1.3 0.93
assign (resid 27 and name HD1)(resid 29 and name HD1*) 3.2 1.4 0.96
assign (resid 27 and name HD1)(resid 29 and name HD2*) 3.2 1.4 0.96
assign (resid 27 and name HD1)(resid 64 and name HA) 3.4 1.6 1.02
assign (resid 27 and name HD1)(resid 64 and name HB1) 3.4 1.6 1.02
assign (resid 27 and name HD1)(resid 64 and name HB2) 3.4 1.6 1.02	
assign (resid 27 and name HH2)(resid 83 and name HD*) 4 2.2 1.2
assign (resid 27 and name HH2)(resid 66 and name HB1) 3.6 1.8 1.08
assign (resid 27 and name HH2)(resid 66 and name HB2) 3.6 1.8 1.08
assign (resid 27 and name HZ2)(resid 39 and name HB1) 3.2 1.4 0.96
assign (resid 27 and name HZ2)(resid 39 and name HB2) 3.2 1.4 0.96
assign (resid 27 and name HZ3)(resid 66 and name HB1) 3.6 1.8 1.08
assign (resid 27 and name HZ3)(resid 66 and name HB2) 3.6 1.8 1.08		
assign (resid 27 and name HZ3)(resid 83 and name HD*) 4.2 2.4 1.26	
assign (resid 38 and name HD2)(resid 60 and name HB1) 3.4 1.6 1.02	
assign (resid 38 and name HD2)(resid 60 and name HB2) 3.5 1.7 1.05	
assign (resid 38 and name HE1)(resid 86 and name HA) 3.9 2.1 1.17	
assign (resid 38 and name HE1)(resid 86 and name HB*) 3.7 1.9 1.11	
assign (resid 38 and name HE1)(resid 86 and name HD*) 3.6 1.8 1.08
assign (resid 39 and name HE*)(resid 29 and name HD1*) 3.1 1.3 0.93
assign (resid 39 and name HE*)(resid 29 and name HD2*) 3.1 1.3 0.93
assign (resid 39 and name HE*)(resid 85 and name HA1) 3.6 1.8 1.08
assign (resid 39 and name HE*)(resid 85 and name HA2) 3.6 1.8 1.08
assign (resid 39 and name HD*)(resid 85 and name HA1) 3.3 1.5 0.99
assign (resid 39 and name HD*)(resid 85 and name HA2) 3.3 1.5 0.99
assign (resid 43 and name HD*)(resid 71 and name HG*) 4.1 2.3 1.23		
assign (resid 43 and name HD*)(resid 79 and name HD*) 2.8 1 0.84	
assign (resid 43 and name HD*)(resid 79 and name HE*) 2.9 1.1 0.87
assign (resid 43 and name HE*)(resid 71 and name HB1) 3.6 1.8 1.08
assign (resid 43 and name HE*)(resid 71 and name HB2) 3.6 1.8 1.08
assign (resid 43 and name HE*)(resid 71 and name HG*) 3.4 1.6 1.02	
assign (resid 43 and name HE*)(resid 79 and name HD*) 2.8 1 0.84	
assign (resid 43 and name HE*)(resid 79 and name HE*) 2.9 1.1 0.87	
assign (resid 72 and name HE3)(resid 101 and name HD1*) 3.1 1.3 0.93
assign (resid 72 and name HE3)(resid 101 and name HD2*) 3.1 1.3 0.93
assign (resid 72 and name HH2)(resid 101 and name HD1*) 3.7 1.9 1.11
assign (resid 72 and name HH2)(resid 101 and name HD2*) 3.7 1.9 1.11
assign (resid 72 and name HZ*)(resid 68 and name HD*) 3.9 2.1 1.17		
assign (resid 72 and name HD1)(resid 43 and name HD*) 3.6 1.8 1.08	
assign (resid 72 and name HD1)(resid 43 and name HE*) 2.9 1.1 0.87	
assign (resid 72 and name HD1)(resid 68 and name HD*) 4.1 2.3 1.23	
assign (resid 72 and name HD1)(resid 71 and name HB1) 3.4 1.6 1.02
assign (resid 72 and name HD1)(resid 71 and name HB2) 3.4 1.6 1.02
assign (resid 72 and name HD1)(resid 71 and name HG*) 3.7 1.9 1.11	
assign (resid 72 and name HD1)(resid 79 and name HD*) 3.7 1.9 1.11	
assign (resid 72 and name HD1)(resid 79 and name HE*) 3 1.2 0.9			
assign (resid 79 and name HD*)(resid 72 and name HA) 2.7 0.9 0.81	
assign (resid 79 and name HD*)(resid 72 and name HB*) 3.6 1.8 1.08		
assign (resid 79 and name HD*)(resid 101 and name HD1*) 3.9 2.1 1.17
assign (resid 79 and name HD*)(resid 101 and name HD2*) 3.7 1.9 1.11
assign (resid 79 and name HE*)(resid 75 and name HA) 3.8 2.0 1.14
assign (resid 79 and name HE*)(resid 101 and name HD2*) 3.7 1.9 1.11
assign (resid 79 and name HE*)(resid 101 and name HD1*) 3.7 1.9 1.11
assign (resid 86 and name HD*)(resid 38 and name HE1) 3.2 1.4 0.96	
assign (resid 86 and name HD*)(resid 39 and name HA) 2.8 1 0.84
assign (resid 86 and name HD*)(resid 85 and name HA*) 3.3 1.5 0.99		
assign (resid 86 and name HD*)(resid 91 and name HA) 2.7 0.9 0.81
assign (resid 86 and name HD*)(resid 91 and name HB) 2.7 0.9 0.81
assign (resid 86 and name HD*)(resid 91 and name HG2*) 3.6 1.8 1.08
assign (resid 93 and name HD*)(resid 92 and name HB1) 3.3 1.5 0.99
assign (resid 93 and name HD*)(resid 92 and name HB2) 3.2 1.4 0.96
assign (resid 93 and name HD*)(resid 92 and name HD1*) 4.1 2.3 1.23
assign (resid 93 and name HD*)(resid 92 and name HD2*) 4 2.2 1.2
assign (resid 93 and name HE*)(resid 92 and name HD1*) 4.1 2.3 1.23
assign (resid 93 and name HE*)(resid 92 and name HD2*) 3.4 1.6 1.02
assign (resid 93 and name HE*)(resid 92 and name HB2) 3.7 1.9 1.11
assign (resid 93 and name HE*)(resid 92 and name HB1) 3.8 2 1.14
assign (resid 93 and name HD*)(resid 29 and name HD1*) 3.8 2.0 1.14
assign (resid 93 and name HD*)(resid 29 and name HD2*) 3.8 2.0 1.14	
assign (resid 99 and name HD*)(resid 97 and name HD2) 3 1.2 0.9		
assign (resid 99 and name HE*)(resid 97 and name HD2) 2.9 1.1 0.87
assign (resid 99 and name HZ)(resid 97 and name HD2) 3.2 1.4 0.96	
assign (resid 99 and name HZ)(resid 25 and name HD*) 3.5 1.7 1.05
assign (resid 99 and name HD*)(resid 25 and name HD*) 3.3 1.5 0.99
assign (resid 100 and name HD1)(resid 103 and name HB) 3.4 1.8 1.02
assign (resid 100 and name HD1)(resid 103 and name HG1*) 3.8 2.0 1.14
assign (resid 100 and name HD1)(resid 103 and (name HG2* OR name HD1*)) 3.7 1.9 1.11
assign (resid 100 and name HD1)(resid 78 and name HB*) 3.8 2.0 1.14
assign (resid 100 and name HE3)(resid 78 and name HA) 2.9 1.1 0.87	
assign (resid 100 and name HE3)(resid 78 and name HB*) 3.3 1.5 0.99	
assign (resid 100 and name HZ2)(resid 78 and name HB*) 3.7 1.9 1.11	

assign (resid 102 and name HN)(resid 101 and name HN)  3.2 1.4 0.96 
assign (resid 102 and name HN)(resid 101 and name HB*)  3.9 2.1 1.17 
assign (resid 102 and name HN)(resid 101 and name HG)  3.3 1.5 0.99 
assign (resid 102 and name HN)(resid 101 and name HA)  3.6 1.8 1.08 
assign (resid 103 and name HN)(resid 102 and name HN)  3 1.2 0.9 
assign (resid 103 and name HN)(resid 102 and name HA)  3.6 1.8 1.08 
assign (resid 103 and name HN)(resid 102 and name HB*)  3.3 1.5 0.99 
assign (resid 103 and name HN)(resid 101 and name HA)  3.9 2.1 1.17 
assign (resid 104 and name HN)(resid 103 and name HD*)  4.2 2.4 1.26 
assign (resid 104 and name HN)(resid 103 and name HN)  2.5 0.7 0.75 
assign (resid 104 and name HN)(resid 103 and name HA)  3.4 1.6 1.02 
assign (resid 104 and name HN)(resid 101 and name HA)  3.3 1.5 0.99 
assign (resid 104 and name HN)(resid 103 and name HB)  3 1.2 0.9 
assign (resid 104 and name HN)(resid 103 and name HG1*)  4.2 2.4 1.26 
assign (resid 104 and name HN)(resid 103 and name HG2*)  3.8 2 1.14 
assign (resid 105 and name HN)(resid 101 and name HA)  2.9 1.1 0.87 
assign (resid 105 and name HN)(resid 104 and name HB2)  3.3 1.5 0.99 
assign (resid 105 and name HN)(resid 104 and name HB1)  3.3 1.5 0.99 
assign (resid 105 and name HN)(resid 101 and name HB*)  3.8 2 1.14
assign (resid 105 and name HN)(resid 101 and name HG)  3.7 1.9 1.11 
assign (resid 105 and name HN)(resid 104 and name HN)  2.8 1 0.84 
assign (resid 106 and name HN)(resid 105 and name HA)  2.5 0.7 0.75 
assign (resid 106 and name HN)(resid 16 and name HG2*) 3.8 2.0 1.14
assign (resid 107 and name HN)(resid 106 and name HA)  2.5 0.7 0.75 
assign (resid 107 and name HN)(resid 106 and name HB*)  3.3 1.5 0.99 
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assign (resid 120 and name HN)(resid 119 and name HB*)  3.7 1.9 1.11 
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assign (resid 122 and name HN)(resid 121 and name HB)  4 2.2 1.2 
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assign (resid 123 and name HN)(resid 122 and name HA) 2.2 0.4 0.66
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assign (resid 123 and name HN)(resid 122 and name HB2)  3.7 1.9 1.11 
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assign (resid 126 and name HN)(resid 112 and name HA)  3.1 1.3 0.93 
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assign (resid 126 and name HN)(resid 183 and name HG*)  3.3 1.5 0.99 
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assign (resid 127 and name HN)(resid 126 and name HB*)  3.9 2.1 1.17 
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assign (resid 134 and name HN)(resid 133 and name HA)  3.9 2.1 1.17
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assign (resid 136 and name HN)(resid 135 and name HB*)  3.1 1.3 0.93 
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assign (resid 186 and name HN)(resid 140 and name HN)  3.2 1.4 0.96 
assign (resid 186 and name HN)(resid 185 and name HA) 2.2 0.4 0.66
assign (resid 186 and name HN)(resid 185 and name HB*)  4 2.2 1.2 
assign (resid 186 and name HN)(resid 192 and name HB*)  3.8 2 1.14 
assign (resid 190 and name HN)(resid 189 and name HA)  2.7 0.9 0.81 
assign (resid 191 and name HN)(resid 190 and name HN)  3.3 1.5 0.99 
assign (resid 191 and name HN)(resid 190 and name HA)  3.1 1.3 0.93 
assign (resid 191 and name HN)(resid 190 and name HB*)  3.8 2 1.14 
assign (resid 191 and name HN)(resid 190 and name HG*)  3.9 2.1 1.17 
assign (resid 192 and name HN)(resid 191 and name HN)  3.1 1.3 0.93 
assign (resid 192 and name HN)(resid 191 and name HB*)  4.1 2.3 1.23 
assign (resid 192 and name HN)(resid 191 and name HA)  2.7 0.9 0.81 
assign (resid 192 and name HN)(resid 190 and name HA)  3.7 1.9 1.11 
assign (resid 192 and name HN)(resid 191 and name HG*)  4 2.2 1.2 
assign (resid 193 and name HN)(resid 192 and name HN)  3.4 1.6 1.02 
assign (resid 193 and name HN)(resid 192 and name HA)  2.9 1.1 0.87 
assign (resid 193 and name HN)(resid 192 and name HB*)  3.4 1.6 1.02 
assign (resid 194 and name HN)(resid 193 and name HG*)  4 2.2 1.2 
assign (resid 194 and name HN)(resid 193 and name HB)  2.9 1.1 0.87 
assign (resid 194 and name HN)(resid 193 and name HG*)  3.8 2 1.14 
assign (resid 195 and name HN)(resid 194 and name HN)  3.8 2 1.14 
assign (resid 195 and name HN)(resid 194 and name HA)  2.4 0.6 0.72 
assign (resid 195 and name HN)(resid 194 and name HG2*)  3.2 1.4 0.96 
assign (resid 196 and name HN)(resid 182 and name HB1)  3.6 1.8 1.08
assign (resid 196 and name HN)(resid 182 and name HB2)  3.6 1.8 1.08
assign (resid 196 and name HN)(resid 184 and name HA)  3 1.2 0.9 
assign (resid 196 and name HN)(resid 195 and name HA)  2.7 0.9 0.81 
assign (resid 196 and name HN)(resid 195 and name HB*)  3.6 1.8 1.08 
assign (resid 196 and name HN)(resid 184 and name HD*)  3.7 1.9 1.11 
assign (resid 196 and name HN)(resid 183 and name HB)  3.2 1.4 0.96 
assign (resid 196 and name HN)(resid 183 and name HG*)  4 2.2 1.2 
assign (resid 196 and name HN)(resid 184 and name HB*)  3.8 2 1.14 
assign (resid 196 and name HN)(resid 183 and name HN)  3.3 1.5 0.99 
assign (resid 198 and name HN)(resid 197 and name HA)  2.3 0.5 0.69 
assign (resid 198 and name HN)(resid 197 and name HB2)  3.2 1.4 0.96 
assign (resid 198 and name HN)(resid 197 and name HB1)  3 1.2 0.9 
assign (resid 198 and name HN)(resid 197 and name HG*)  4 2.2 1.2 
assign (resid 199 and name HN)(resid 181 and name HN)  3.1 1.3 0.93 
assign (resid 199 and name HN)(resid 198 and name HA) 2.2 0.4 0.66
assign (resid 199 and name HN)(resid 198 and name HB*)  3.7 1.9 1.11 
assign (resid 199 and name HN)(resid 198 and name HG)  3 1.2 0.9 
assign (resid 199 and name HN)(resid 198 and name HD1*)  3.7 1.9 1.11 
assign (resid 199 and name HN)(resid 198 and name HD2*)  3.7 1.9 1.11 
assign (resid 200 and name HN)(resid 199 and name HA) 2.3 0.5 0.69
assign (resid 200 and name HN)(resid 199 and name HB*)  3.9 2.1 1.17 
assign (resid 200 and name HN)(resid 199 and name HG*)  4 2.2 1.2 
assign (resid 201 and name HN)(resid 179 and name HN)  3.2 1.4 0.96 
assign (resid 201 and name HN)(resid 200 and name HA) 2.2 0.4 0.66
assign (resid 201 and name HN)(resid 180 and name HA)  3 1.2 0.9 
assign (resid 201 and name HN)(resid 200 and name HB*)  3 1.2 0.9 
assign (resid 202 and name HN)(resid 201 and name HA) 2.4 0.6 0.72
assign (resid 202 and name HN)(resid 201 and name HG2*)  4.5 2.7 1.35 
assign (resid 202 and name HN)(resid 201 and name HB)  3.6 1.8 1.08 
assign (resid 202 and name HN)(resid 201 and name HG2*)  4.7 2.9 1.41 
assign (resid 203 and name HN)(resid 202 and name HG)  3.4 1.6 1.02 
assign (resid 203 and name HN)(resid 202 and name HD1*)  3.7 1.9 1.11 
assign (resid 203 and name HN)(resid 202 and name HD2*)  3.6 1.8 1.08 
assign (resid 203 and name HN)(resid 178 and name HA)  3.3 1.5 0.99 
assign (resid 203 and name HN)(resid 202 and name HA)  2.7 0.9 0.81 
assign (resid 203 and name HN)(resid 205 and name HB*)  3.5 1.7 1.05 
assign (resid 203 and name HN)(resid 202 and name HB*)  4.1 2.3 1.23 
assign (resid 203 and name HN)(resid 177 and name HN)  4 2.2 1.2 
assign (resid 206 and name HN)(resid 205 and name HA)  2.4 0.6 0.72 
assign (resid 206 and name HN)(resid 207 and name HG*)  4.2 2.4 1.26 
assign (resid 206 and name HN)(resid 205 and name HB2)  3.1 1.3 0.93 
assign (resid 206 and name HN)(resid 205 and name HB1)  3 1.2 0.9 
assign (resid 210 and name HN)(resid 209 and name HA)  4.5 2.7 1.35 
assign (resid 112 and name HA)(resid 125 and name HA)  2.2 0.4 0.66 
assign (resid 114 and name HA)(resid 123 and name HA)  2.4 0.6 0.72
assign (resid 116 and name HA1)(resid 121 and name HA) 2.9 1.1 0.87
assign (resid 116 and name HA2)(resid 121 and name HA) 2.9 1.1 0.87
assign (resid 116 and name HA*)(resid 121 and name HA) 2.5 0.7 0.75 
assign (resid 120 and name HA)(resid 171 and name HA)  2.7 0.9 0.81 
assign (resid 122 and name HA)(resid 169 and name HA)  2.3 0.5 0.69
assign (resid 124 and name HA)(resid 167 and name HA)  2.3 0.5 0.69 
assign (resid 126 and name HA)(resid 165 and name HA)  2.2 0.4 0.66 
assign (resid 142 and name HA)(resid 155 and name HA)  2.4 0.6 0.72
assign (resid 144 and name HA)(resid 153 and name HA)  2.2 0.4 0.66 
assign (resid 146 and name HA)(resid 151 and name HA)  2.2 0.4 0.66
assign (resid 147 and name HA)(resid 179 and name HA)  2.5 0.7 0.75 
assign (resid 145 and name HA)(resid 181 and name HA)  2.4 0.6 0.72
assign (resid 143 and name HA)(resid 183 and name HA)  2.3 0.5 0.69 
assign (resid 141 and name HA)(resid 185 and name HA)  2.3 0.5 0.69 
assign (resid 180 and name HA)(resid 200 and name HA)  2.1 0.3 0.63 
assign (resid 178 and name HA)(resid 202 and name HA)  2.4 0.6 0.72
assign (resid 101 and name HA)(resid 104 and name HB1)  2.9 1.1 0.87
assign (resid 101 and name HA)(resid 104 and name HB2)  3.1 1.3 0.93
assign (resid 106 and name HA)(resid 194 and (name HG2* or name HD1*))  3 1.2 0.9
assign (resid 106 and name HB*)(resid 194 and (name HG2* or name HD1*))  3.1 1.3 0.93
assign (resid 111 and name HB1)(resid 126 and name HB*) 2.7 0.9 0.81
assign (resid 111 and name HB1)(resid 126 and name HG*) 3.3 1.5 0.99
assign (resid 111 and name HB2)(resid 126 and name HB*) 2.6 0.8 0.78
assign (resid 111 and name HB2)(resid 126 and name HG*) 3.3 1.5 0.99
assign (resid 111 and name HG1)(resid 126 and name HB*) 2.9 1.1 0.87
assign (resid 111 and name HG1)(resid 126 and name HG*) 3.2 1.4 0.96
assign (resid 111 and name HG2)(resid 126 and name HB1) 2.9 1.1 0.87
assign (resid 111 and name HG2)(resid 126 and name HB2) 2.9 1.1 0.87
assign (resid 111 and name HG2)(resid 126 and name HG*) 3.2 1.4 0.96
assign (resid 112 and name HA)(resid 125 and name HG1*) 3.3 1.5 0.99
assign (resid 112 and name HA)(resid 125 and name HG2*) 3.2 1.4 0.96
assign (resid 112 and name HA)(resid 126 and name HD*) 3.4 1.6 1.02
assign (resid 112 and name HA)(resid 126 and name HG*) 3.1 1.3 0.93
assign (resid 112 and name HB1)(resid 125 and name HG*) 3.7 1.9 1.11
assign (resid 112 and name HB2)(resid 125 and name HG*) 3.7 1.9 1.11
assign (resid 113 and name HA)(resid 114 and name HD1*) 3.6 1.8 1.08
assign (resid 113 and name HA)(resid 114 and name HG11) 2.6 0.8 0.78
assign (resid 113 and name HA)(resid 114 and name HG12) 2.8 1 0.84
assign (resid 113 and name HA)(resid 199 and name HD1) 2.7 0.9 0.81
assign (resid 113 and name HA)(resid 199 and name HD2) 2.8 1 0.84	
assign (resid 113 and name HA)(resid 199 and name HE1) 3 1.2 0.9	
assign (resid 113 and name HA)(resid 199 and name HE2)  3 1.2 0.9
assign (resid 113 and name HB1)(resid 199 and name HE*) 3.3 1.5 0.99
assign (resid 113 and name HG*)(resid 112 and name HA) 2.9 1.1 0.87
assign (resid 113 and name HG*)(resid 115 and name HG*) 3.4 1.6 1.02
assign (resid 113 and name HG*)(resid 199 and name HD*) 2.8 1 0.84
assign (resid 113 and name HG*)(resid 199 and name HE*) 2.6 0.8 0.78
assign (resid 114 and name HA)(resid 123 and name HG1*) 3.2 1.4 0.96
assign (resid 114 and name HA)(resid 123 and name HG2*) 3.2 1.4 0.96
assign (resid 114 and name HA)(resid 124 and name HE*) 3.5 1.7 1.05
assign (resid 114 and name HG*)(resid 201 and name HB) 2.9 1.1 0.87
assign (resid 114 and name HG*)(resid 199 and name HD*) 2.9 1.1 0.87
assign (resid 114 and name HG2*)(resid 199 and name HG*) 2.8 1 0.84
assign (resid 115 and name HB)(resid 122 and name HB1) 2.8 1 0.84	
assign (resid 115 and name HB)(resid 122 and name HB2) 2.8 1 0.84
assign (resid 116 and name HA1)(resid 121 and name HG1*) 3.4 1.6 1.02
assign (resid 116 and name HA1)(resid 121 and name HG2*) 3.5 1.7 1.05
assign (resid 116 and name HA2)(resid 121 and name HG1*) 3.5 1.7 1.05
assign (resid 116 and name HA2)(resid 121 and name HG2*) 3.3 1.5 0.99
assign (resid 118 and name HA)(resid 203 and name HA) 3 1.2 0.9	
assign (resid 118 and name HA)(resid 204 and name HD1) 2.6 0.8 0.78
assign (resid 118 and name HA)(resid 204 and name HD2) 2.6 0.8 0.78
assign (resid 118 and name HA)(resid 204 and name HG1) 2.6 0.8 0.78
assign (resid 118 and name HA)(resid 204 and name HG2) 2.5 0.7 0.75
assign (resid 118 and name HB)(resid 204 and name HD*) 3 1.2 0.9	
assign (resid 118 and name HB)(resid 204 and name HG1) 2.7 0.9 0.81
assign (resid 118 and name HB)(resid 204 and name HG2) 2.8 1 0.84
assign (resid 120 and name HA)(resid 173 and name HB*) 3 1.2 0.9
assign (resid 121 and name HA)(resid 203 and name HD*) 3.2 1.4 0.96
assign (resid 121 and name HB)(resid 173 and name HD*) 3.5 1.7 1.05
assign (resid 121 and name HG11)(resid 173 and name HD*) 3.6 1.8 1.08
assign (resid 121 and name HG12)(resid 173 and name HD*) 3.7 1.9 1.11
assign (resid 122 and name HA)(resid 169 and name HG1*) 3 1.2 0.9	
assign (resid 122 and name HB1)(resid 115 and name HG1*) 3.4 1.6 1.02
assign (resid 122 and name HB1)(resid 115 and name HG2*) 3.4 1.6 1.02
assign (resid 122 and name HB1)(resid 169 and name HG2*) 3.7 1.9 1.11
assign (resid 122 and name HB2)(resid 115 and name HG1*) 3.2 1.4 0.96
assign (resid 122 and name HB2)(resid 115 and name HG2*) 3.2 1.4 0.96
assign (resid 122 and name HB2)(resid 169 and name HG2*) 3.5 1.7 1.05
assign (resid 123 and name HA)(resid 114 and name HB) 2.5 0.7 0.75
assign (resid 123 and name HB)(resid 143 and name HG2*) 3.4 1.6 1.02
assign (resid 124 and name HA)(resid 167 and name HG2*) 3 1.2 0.9	
assign (resid 124 and name HB*)(resid 167 and name HG2*) 3.2 1.4 0.96
assign (resid 124 and name HG1)(resid 126 and name HD*) 3.3 1.5 0.99
assign (resid 124 and name HG1)(resid 126 and name HG*) 3 1.2 0.9	
assign (resid 124 and name HG1)(resid 165 and name HB1) 2.8 1 0.84
assign (resid 124 and name HG1)(resid 165 and name HB2) 2.7 0.9 0.81
assign (resid 124 and name HG1)(resid 167 and name HG2*) 3.2 1.4 0.96
assign (resid 124 and name HG2)(resid 126 and name HD*) 3.3 1.5 0.99
assign (resid 124 and name HG2)(resid 126 and name HG*) 3 1.2 0.9	
assign (resid 124 and name HG2)(resid 165 and name HB1) 2.5 0.7 0.75
assign (resid 124 and name HG2)(resid 165 and name HB2) 2.6 0.8 0.78
assign (resid 124 and name HG2)(resid 167 and name HG2*) 3 1.2 0.9
assign (resid 125 and name HA)(resid 112 and name HB1) 2.7 0.9 0.81
assign (resid 125 and name HA)(resid 112 and name HB2) 2.9 1.1 0.87
assign (resid 125 and name HA)(resid 126 and name HD*) 3.5 1.7 1.05
assign (resid 125 and name HA)(resid 126 and name HG*) 3.3 1.5 0.99
assign (resid 125 and name HB)(resid 166 and name HB1) 2.7 0.9 0.81
assign (resid 125 and name HB)(resid 166 and name HB2) 2.9 1.1 0.87
assign (resid 127 and name HA)(resid 128 and name HD1) 2.5 0.7 0.75
assign (resid 127 and name HA)(resid 128 and name HD2) 2.5 0.7 0.75
assign (resid 127 and name HB1)(resid 128 and name HD*) 2.8 1 0.84
assign (resid 127 and name HB2)(resid 128 and name HD*) 2.8 1 0.84
assign (resid 132 and name HA)(resid 130 and name HG2*) 3.4 1.6 1.02
assign (resid 132 and name HA)(resid 135 and name HB*) 2.8 1 0.84	
assign (resid 132 and name HB1)(resid 135 and name HB*) 2.9 1.1 0.87
assign (resid 132 and name HB2)(resid 135 and name HB*) 2.9 1.1 0.87
assign (resid 141 and name HA)(resid 185 and name HB*) 2.6 0.8 0.78
assign (resid 142 and name HA)(resid 155 and name HB1) 3 1.2 0.9	
assign (resid 142 and name HA)(resid 155 and name HB2) 3.1 1.3 0.93
assign (resid 142 and name HA)(resid 156 and name HD1) 2.9 1.1 0.87
assign (resid 142 and name HA)(resid 156 and name HD2) 2.9 1.1 0.87
assign (resid 143 and name HB)(resid 154 and name HB1) 2.8 1 0.84	
assign (resid 143 and name HB)(resid 154 and name HB2) 2.7 0.9 0.81
assign (resid 143 and name HG11)(resid 156 and name HD1) 2.5 0.7 0.75
assign (resid 143 and name HG11)(resid 156 and name HD2) 2.5 0.7 0.75
assign (resid 143 and name HG12)(resid 156 and name HD1) 2.8 1 0.84
assign (resid 143 and name HG12)(resid 156 and name HD2) 2.6 0.8 0.78
assign (resid 144 and name HB1)(resid 182 and name HB1) 2.9 1.1 0.87
assign (resid 144 and name HB2)(resid 182 and name HB1) 2.7 0.9 0.81
assign (resid 144 and name HB2)(resid 182 and name HB1) 2.7 0.9 0.81
assign (resid 144 and name HB2)(resid 182 and name HB2) 2.9 1.1 0.87
assign (resid 146 and name HA)(resid 151 and name HG*) 2.9 1.1 0.87
assign (resid 146 and name HB1)(resid 151 and name HG*) 3.2 1.4 0.96
assign (resid 146 and name HB1)(resid 180 and name HB1) 2.9 1.1 0.87
assign (resid 146 and name HB1)(resid 180 and name HB2) 2.9 1.1 0.87
assign (resid 146 and name HB2)(resid 151 and name HG*) 3 1.2 0.9	
assign (resid 146 and name HB2)(resid 180 and name HB1) 2.9 1.1 0.87
assign (resid 146 and name HB2)(resid 180 and name HB2) 2.7 0.9 0.81
assign (resid 146 and name HG*)(resid 151 and name HA) 2.5 0.7 0.75
assign (resid 146 and name HG*)(resid 180 and name HB1) 3.5 1.7 1.05
assign (resid 146 and name HG*)(resid 180 and name HB2) 3.5 1.7 1.05
assign (resid 151 and name HA)(resid 146 and name HB*) 2.7 0.9 0.81
assign (resid 151 and name HA)(resid 146 and name HG*) 2.8 1 0.84	
assign (resid 152 and name HB*)(resid 145 and name HB1) 2.9 1.1 0.87
assign (resid 152 and name HB*)(resid 145 and name HB2) 2.9 1.1 0.87
assign (resid 153 and name HA)(resid 144 and name HB1) 3 1.2 0.9
assign (resid 153 and name HA)(resid 144 and name HB2) 3 1.2 0.9
assign (resid 153 and name HA)(resid 144 and name HG1) 2.9 1.1 0.87
assign (resid 153 and name HA)(resid 144 and name HG2) 2.9 1.1 0.87
assign (resid 154 and name HB1)(resid 143 and name HG2*) 3.5 1.7 1.05
assign (resid 154 and name HB2)(resid 143 and name HG2*) 3.6 1.8 1.08
assign (resid 155 and name HA)(resid 156 and name HD1) 2.4 0.6 0.72
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assign (resid 156 and name HA)(resid 143 and name HD1*) 3.6 1.8 1.08
assign (resid 158 and name HA)(resid 161 and name HB1) 2.8 1 0.84
assign (resid 158 and name HA)(resid 161 and name HB2) 2.8 1 0.84
assign (resid 159 and name HA)(resid 158 and name HG2*) 3.7 1.9 1.11
assign (resid 164 and name HA1)(resid 129 and name HA) 2.8 1 0.84
assign (resid 164 and name HA2)(resid 129 and name HA) 2.8 1 0.84
assign (resid 165 and name HA)(resid 126 and name HB*) 3.3 1.5 0.99
assign (resid 165 and name HA)(resid 126 and name HG*) 3 1.2 0.9	
assign (resid 165 and name HB1)(resid 124 and name HB*) 3.4 1.6 1.02
assign (resid 165 and name HB2)(resid 124 and name HB*) 3.4 1.6 1.02
assign (resid 166 and name HA)(resid 125 and name HG*) 3.8 2 1.14	
assign (resid 167 and name HA)(resid 124 and name HB*) 3.1 1.3 0.93
assign (resid 167 and name HA)(resid 124 and name HG1) 3.1 1.3 0.93
assign (resid 167 and name HA)(resid 124 and name HG2) 3.3 1.5 0.99
assign (resid 169 and name HA)(resid 122 and name HA) 2.3 0.5 0.69
assign (resid 170 and name HB)(resid 121 and name HB) 2.6 0.8 0.78
assign (resid 171 and name HA)(resid 120 and name HB1) 2.4 0.6 0.72
assign (resid 171 and name HA)(resid 120 and name HB2) 2.5 0.7 0.75
assign (resid 174 and name HA)(resid 175 and name HD1) 2.3 0.5 0.69
assign (resid 174 and name HA)(resid 175 and name HD2) 2.4 0.6 0.72
assign (resid 176 and name HA)(resid 202 and name HG) 2.8 1 0.84	
assign (resid 178 and name HA)(resid 202 and name HB1) 3.1 1.3 0.93
assign (resid 178 and name HA)(resid 202 and name HB2) 3.1 1.3 0.93
assign (resid 179 and name HA)(resid 147 and name HB*) 2.6 0.8 0.78
assign (resid 180 and name HA)(resid 200 and name HB*) 3 1.2 0.9	
assign (resid 180 and name HA)(resid 198 and name HD1*) 3.5 1.7 1.05
assign (resid 180 and name HA)(resid 198 and name HD2*) 3.6 1.8 1.08	
assign (resid 181 and name HB)(resid 114 and name HG1*) 3 1.2 0.9	
assign (resid 181 and name HB)(resid 114 and name HG2*) 3 1.2 0.9
assign (resid 186 and name HB*)(resid 140 and name HB*) 3.1 1.3 0.93	
assign (resid 186 and name HG1)(resid 140 and name HB*) 3.2 1.4 0.96	
assign (resid 186 and name HG2)(resid 140 and name HB*) 3.3 1.5 0.99	
assign (resid 189 and name HB1)(resid 192 and name HB*) 3.3 1.5 0.99	
assign (resid 189 and name HB2)(resid 192 and name HB*) 3.3 1.5 0.99	
assign (resid 190 and name HA)(resid 193 and name HG1*) 3.1 1.3 0.93
assign (resid 190 and name HA)(resid 193 and name HG2*) 3.2 1.4 0.96
assign (resid 190 and name HG*)(resid 193 and name HG*) 2.9 1.1 0.87
assign (resid 195 and name HA)(resid 184 and name HB2) 2.5 0.7 0.75	
assign (resid 195 and name HA)(resid 184 and name HB1) 2.4 0.6 0.72	
assign (resid 196 and name HA)(resid 197 and name HD1) 2.5 0.7 0.75
assign (resid 196 and name HA)(resid 197 and name HD2) 2.5 0.7 0.75
assign (resid 196 and name HB1)(resid 197 and name HD1) 2.8 1.0 0.84	
assign (resid 196 and name HB1)(resid 197 and name HD2) 2.8 1.0 0.84	
assign (resid 196 and name HB2)(resid 197 and name HD1) 2.8 1.0 0.84	
assign (resid 196 and name HB2)(resid 197 and name HD2) 2.8 1.0 0.84	
assign (resid 198 and name HB1)(resid 180 and name HB1) 2.9 1.1 0.87
assign (resid 198 and name HB1)(resid 180 and name HB2) 2.8 1 0.84
assign (resid 198 and name HB2)(resid 180 and name HB1) 2.8 1 0.84
assign (resid 198 and name HB2)(resid 180 and name HB2) 2.8 1 0.84
assign (resid 201 and name HA)(resid 114 and name HG1*) 3.6 1.8 1.08
assign (resid 201 and name HB)(resid 114 and name HG*) 2.9 1.1 0.87
assign (resid 202 and name HA)(resid 178 and name HB1) 2.6 0.8 0.78
assign (resid 202 and name HA)(resid 178 and name HB2) 2.8 1 0.84
assign (resid 203 and name HA)(resid 204 and name HD1) 2.5 0.7 0.75
assign (resid 203 and name HA)(resid 204 and name HD2) 2.4 0.6 0.72	
assign (resid 205 and name HA)(resid 176 and name HA) 2.7 0.9 0.81	
assign (resid 205 and name HA)(resid 176 and name HB1) 2.4 0.6 0.72
assign (resid 205 and name HA)(resid 176 and name HB2) 2.7 0.9 0.81
assign (resid 101 and name HD*)(resid 104 and name HB*)  3.3 1.5 0.99	
assign (resid 101 and name HD*)(resid 105 and name HA)  3.5 1.7 1.05	
assign (resid 114 and name HD1*)(resid 181 and name HB)  3.0 1.2 0.90	
assign (resid 114 and name HD1*)(resid 180 and name HA)  3.6 1.8 1.08	
assign (resid 114 and name HD1*)(resid 199 and name HA)  3.3 1.5 0.99	
assign (resid 114 and name HD1*)(resid 199 and name HB*)  3.3 1.5 0.99	
assign (resid 114 and name HD1*)(resid 200 and name HA)  3.3 1.5 0.99	
assign (resid 114 and name HD1*)(resid 201 and name HA)  3.3 1.5 0.99	
assign (resid 114 and name HD1*)(resid 201 and name HB)  2.7 0.9 0.81	
assign (resid 115 and name HG*)(resid 117 and name HD*)  3.9 2.1 1.17	
assign (resid 115 and name HG*)(resid 122 and name HB1)  3.4 1.6 1.02	
assign (resid 115 and name HG*)(resid 122 and name HB2)  3.2 1.4 0.96	
assign (resid 118 and name HG2*)(resid 206 and name HA1)  3.2 1.4 0.96
assign (resid 118 and name HG2*)(resid 206 and name HA2)  3.2 1.4 0.96	
assign (resid 121 and name HD1*)(resid 116 and name HA1)  3.7 1.9 1.11
assign (resid 121 and name HD1*)(resid 116 and name HA2)  3.7 1.9 1.11
assign (resid 121 and name HD1*)(resid 145 and name HB1)  3.3 1.5 0.99	
assign (resid 121 and name HD1*)(resid 170 and name HA)  3.3 1.5 0.99	
assign (resid 121 and name HD1*)(resid 170 and name HB)  2.6 0.8 0.78	
assign (resid 121 and name HD1*)(resid 170 and name HG1*)  2.3 0.5 0.69	
assign (resid 121 and name HD1*)(resid 173 and name HD1*)  3.7 1.9 1.11	
assign (resid 121 and name HD1*)(resid 173 and name HD2*)  4 2.2 1.2
assign (resid 121 and name HD1*)(resid 179 and name HA)  3.6 1.8 1.08	
assign (resid 121 and name HD1*)(resid 179 and name HB1)  3.2 1.4 0.96	
assign (resid 121 and name HD1*)(resid 179 and name HB2)  3.2 1.4 0.96	
assign (resid 121 and name HD1*)(resid 179 and name HD*)  3.6 1.8 1.08	
assign (resid 124 and name HE*)(resid 114 and name HA)  4.0 2.2 1.2	
assign (resid 124 and name HE*)(resid 122 and name HB*)  3.2 1.4 0.96	
assign (resid 124 and name HE*)(resid 165 and name HA)  4.4 2.6 1.32	
assign (resid 125 and name HG*)(resid 110 and name HB1)  2.9 1.1 0.87	
assign (resid 125 and name HG*)(resid 110 and name HB2)  3.1 1.3 0.93	
assign (resid 125 and name HG*)(resid 123 and name HA)  3.7 1.9 1.11	
assign (resid 125 and name HG*)(resid 123 and name HG*)  4.2 2.4 1.26	
assign (resid 125 and name HG*)(resid 127 and name HD*)  4.2 2.4 1.26	
assign (resid 125 and name HG*)(resid 127 and name HE*)  3.7 1.9 1.11	
assign (resid 125 and name HG*)(resid 143 and name HD1*)  4.1 2.3 1.23	
assign (resid 125 and name HG*)(resid 166 and name HB1)  3.5 1.7 1.05	
assign (resid 125 and name HG*)(resid 166 and name HE*)  3.9 2.1 1.17	
assign (resid 125 and name HG*)(resid 168 and name HD*)  3.9 2.1 1.17	
assign (resid 125 and name HG*)(resid 181 and name HG*)  3.4 1.6 1.02
assign (resid 125 and name HG*)(resid 183 and name HB)  3.2 1.4 0.96	
assign (resid 130 and name HD1*)(resid 132 and name HA) 2.7 0.9 0.81	
assign (resid 130 and name HD1*)(resid 132 and name HG*) 3.2 1.4 0.96	
assign (resid 130 and name HD1*)(resid 132 and name HB2) 3.2 1.4 0.96	
assign (resid 130 and name HD1*)(resid 132 and name HB1) 3.2 1.4 0.96
assign (resid 135 and name HD*)(resid 132 and name HA) 2.6 0.8 0.78	
assign (resid 135 and name HD1*)(resid 132 and name HB1) 2.9 1.1 0.87	
assign (resid 135 and name HD1*)(resid 132 and name HB2) 3.3 1.5 0.99	
assign (resid 135 and name HD1*)(resid 132 and name HG*) 3.6 1.8 1.08	
assign (resid 135 and name HD2*)(resid 132 and name HG*) 3.2 1.4 0.96	
assign (resid 135 and name HD2*)(resid 132 and name HB1) 3.2 1.4 0.96	
assign (resid 135 and name HD2*)(resid 132 and name HB2) 3.2 1.4 0.96		
assign (resid 135 and name HD*)(resid 137 and name HB1)  3.7 1.9 1.11
assign (resid 135 and name HD*)(resid 137 and name HB2)  3.7 1.9 1.11	
assign (resid 139 and name HD1*)(resid 137 and name HB1)  3.3 1.5 0.99
assign (resid 139 and name HD1*)(resid 137 and name HB1)  3.3 1.5 0.99	
assign (resid 139 and name HD1*)(resid 137 and name HD*)  3.9 2.1 1.17	
assign (resid 139 and name HD*)(resid 137 and name HA)  3.5 1.7 1.05	
assign (resid 139 and name HD2*)(resid 137 and name HB1)  3.3 1.5 0.99		
assign (resid 139 and name HD2*)(resid 137 and name HB2)  3.3 1.5 0.99	
assign (resid 139 and name HD2*)(resid 137 and name HD*)  3.9 2.1 1.17
assign (resid 139 and name HD*)(resid 185 and name HB1)  4.0 2.2 1.2
assign (resid 139 and name HD*)(resid 185 and name HB2)  4.0 2.2 1.2
assign (resid 141 and name HD*)(resid 156 and name HD1)  3.4 1.6 1.02
assign (resid 141 and name HD*)(resid 156 and name HD2)  3.4 1.6 1.02		
assign (resid 141 and name HD*)(resid 158 and name HD1*)  3.4 1.6 1.02	
assign (resid 141 and name HD*)(resid 158 and name HG2*)  3.2 1.1 0.87	
assign (resid 141 and name HD*)(resid 166 and name HD*)  3.5 1.7 1.05	
assign (resid 141 and name HD*)(resid 166 and name HE*)  3.6 1.8 1.08	
assign (resid 141 and name HD*)(resid 183 and name HG1*)  4.1 2.3 1.23	
assign (resid 141 and name HD*)(resid 183 and name HG2*)  3.8 1.5 0.99	
assign (resid 141 and name HD*)(resid 185 and name HA)  3.4 1.6 1.02	
assign (resid 142 and name HG*)(resid 140 and name HB1)  3.2 1.4 0.96	
assign (resid 142 and name HG*)(resid 144 and name HA)  3.5 1.7 1.05
assign (resid 142 and name HG*)(resid 144 and name HB1)  3.7 1.9 1.11
assign (resid 142 and name HG*)(resid 144 and name HB2)  3.5 1.7 1.05
assign (resid 142 and name HG*)(resid 144 and name HG*)  3.5 1.7 1.05	
assign (resid 142 and name HG*)(resid 153 and name HA)  3 1.2 0.9	
assign (resid 142 and name HG*)(resid 153 and name HB*)  2.7 0.9 0.81	
assign (resid 142 and name HG*)(resid 155 and name HA)  3.3 1.5 0.99	
assign (resid 142 and name HG*)(resid 155 and name HB*)  2.8 1 0.84	
assign (resid 142 and name HG*)(resid 155 and name HG*)  2.6 0.8 0.78	
assign (resid 142 and name HG*)(resid 184 and name HB*)  3.2 1.4 0.96	
assign (resid 142 and name HG*)(resid 184 and name HD*)  3.6 1.8 1.08	
assign (resid 142 and name HG*)(resid 184 and name HE*)  3.1 1.3 0.93	
assign (resid 142 and name HG*)(resid 186 and name HB1*)  3.0 1.2 0.90
assign (resid 142 and name HG*)(resid 186 and name HB2*)  3.0 1.2 0.90
assign (resid 142 and name HG*)(resid 186 and name HG1*)  3.0 1.2 0.90
assign (resid 142 and name HG*)(resid 186 and name HG2*)  3.0 1.2 0.90	
assign (resid 143 and name HD1*)(resid 140 and name HB*)  3.9 2.1 1.17
assign (resid 143 and name HD1*)(resid 141 and name HA)  3.5 1.7 1.05	
assign (resid 143 and name HD1*)(resid 154 and name HB1)  3.3 1.1 0.87	
assign (resid 143 and name HD1*)(resid 154 and name HB2)  3.5 1.7 1.05		
assign (resid 143 and name HD1*)(resid 155 and name HA)  3.4 1.6 1.02
assign (resid 143 and name HD1*)(resid 156 and name HD1)  3.5 1.7 1.05
assign (resid 143 and name HD1*)(resid 156 and name HD2)  3.5 1.7 1.05	
assign (resid 143 and name HD1*)(resid 168 and name HB1)  3.2 1.4 0.96	
assign (resid 143 and name HD1*)(resid 168 and name HB2)  3.2 1.4 0.96
assign (resid 143 and name HD1*)(resid 168 and name HD*)  3.2 1.4 0.96	
assign (resid 143 and name HD1*)(resid 168 and name HE*)  3.7 1.9 1.11
assign (resid 143 and name HD1*)(resid 183 and name HA)  3.2 1.4 0.96	
assign (resid 143 and name HG2*)(resid 168 and name HD*)  4 2.2 1.2	
assign (resid 143 and name HG2*)(resid 168 and name HE*)  3.9 2.1 1.17	
assign (resid 143 and name HG2*)(resid 181 and name HA)  3.5 1.7 1.05	
assign (resid 143 and name HG2*)(resid 183 and name HA)  3.4 1.6 1.02	
assign (resid 143 and name HG2*)(resid 183 and name HG1*)  3.7 1.9 1.11	
assign (resid 143 and name HG2*)(resid 183 and name HG2*)  3.5 1.7 1.05	
assign (resid 150 and name HD1*)(resid 147 and name HA)  3.1 1.3 0.93	
assign (resid 150 and name HD1*)(resid 147 and name HB*)  3.7 1.9 1.11	
assign (resid 150 and name HD1*)(resid 148 and name HB2)  3.2 1.4 0.96	
assign (resid 150 and name HD1*)(resid 148 and name HG1)  3.5 1.7 1.05	
assign (resid 158 and name HD1*)(resid 140 and name HA)  3.3 1.5 0.99	
assign (resid 158 and name HD1*)(resid 140 and name HB*)  3.6 1.8 1.08	
assign (resid 158 and name HD1*)(resid 141 and name HA)  3.6 1.8 1.08	
assign (resid 158 and name HD1*)(resid 141 and name HB1)  2.6 0.8 0.78	
assign (resid 158 and name HD1*)(resid 141 and name HB2)  2.5 0.7 0.75	
assign (resid 158 and name HD1*)(resid 161 and name HA)  4 2.2 1.2	
assign (resid 158 and name HD1*)(resid 161 and name HB1)  3.6 1.8 1.08	
assign (resid 158 and name HD1*)(resid 161 and name HB2)  3.6 1.8 1.08
assign (resid 158 and name HD1*)(resid 162 and name HA)  3.6 1.8 1.08	
assign (resid 158 and name HD1*)(resid 162 and name HB*)  3.5 1.7 1.05		
assign (resid 158 and name HD1*)(resid 162 and name HG*)  3.1 1.3 0.93	
assign (resid 158 and name HD1*)(resid 166 and name HD*)  3.9 2.1 1.17	
assign (resid 158 and name HD1*)(resid 166 and name HE*)  3.7 1.9 1.11	
assign (resid 158 and name HG2*)(resid 140 and name HA)  3.3 1.5 0.99	
assign (resid 158 and name HG2*)(resid 141 and name HB1)  2.7 0.9 0.81	
assign (resid 158 and name HG2*)(resid 141 and name HB2)  2.6 0.8 0.78	
assign (resid 158 and name HG2*)(resid 162 and name HA)  3.4 1.6 1.02		
assign (resid 158 and name HG2*)(resid 162 and name HG*)  3.6 1.8 1.08	
assign (resid 158 and name HG2*)(resid 166 and name HE*)  3.3 1.5 0.99	
assign (resid 158 and name HG2*)(resid 166 and name HZ)  3.3 1.5 0.99		
assign (resid 162 and name HE*)(resid 139 and name HB1)  3.4 1.6 1.02	
assign (resid 162 and name HE*)(resid 139 and name HB2)  3.4 1.6 1.02	
assign (resid 162 and name HE*)(resid 140 and name HA)  4.0 2.2 1.2
assign (resid 162 and name HE*)(resid 140 and name HB1) 3.9 2.1 1.17
assign (resid 162 and name HE*)(resid 140 and name HB2) 3.9 2.1 1.17
assign (resid 162 and name HE*)(resid 158 and name HD1*)  4.1 2.3 1.23	
assign (resid 162 and name HE*)(resid 158 and name HG1*)  4.1 2.3 1.23	
assign (resid 162 and name HE*)(resid 158 and name HG2*)  4.1 2.3 1.23	
assign (resid 167 and name HG2*)(resid 169 and name HD1*)  2.8 1 0.84	
assign (resid 169 and name HD1*)(resid 120 and name HD2)  3.3 1.5 0.99	
assign (resid 169 and name HD1*)(resid 122 and name HA)  3 1.2 0.9	
assign (resid 169 and name HD1*)(resid 122 and name HB1)  3.5 1.7 1.05	
assign (resid 169 and name HD1*)(resid 122 and name HB2)  3.4 1.6 1.02	
assign (resid 169 and name HD1*)(resid 167 and name HB)  3.7 1.9 1.11	
assign (resid 169 and name HG2*)(resid 120 and name HA)  3.2 1.4 0.96	
assign (resid 169 and name HG2*)(resid 120 and name HB1)  3 1.2 0.9	
assign (resid 169 and name HG2*)(resid 120 and name HB2)  3.1 1.3 0.93	
assign (resid 169 and name HG2*)(resid 120 and name HD2)  2.9 1.1 0.87	
assign (resid 169 and name HG2*)(resid 122 and name HA)  3 1.2 0.9	
assign (resid 169 and name HG2*)(resid 171 and name HA)  3.1 1.3 0.93	
assign (resid 169 and name HG2*)(resid 171 and name HB1)  3 1.2 0.9	
assign (resid 169 and name HG2*)(resid 171 and name HB2)  3 1.2 0.9
assign (resid 170 and name HD1*)(resid 173 and name HD1*) 3.7 1.9 1.11
assign (resid 170 and name HD1*)(resid 173 and name HD2*) 3.7 1.9 1.11
assign (resid 170 and name HD1*)(resid 145 and name HA) 3.2 1.4 0.96
assign (resid 170 and name HD1*)(resid 145 and name HB1) 3.0 1.2 0.90
assign (resid 170 and name HD1*)(resid 145 and name HB2) 3.0 1.2 0.90
assign (resid 170 and name HG2*)(resid 145 and name HA) 3.4 1.6 1.02
assign (resid 170 and name HG2*)(resid 145 and name HB1) 3.1 1.3 0.93
assign (resid 170 and name HG2*)(resid 145 and name HB2) 3.1 1.2 0.93
assign (resid 170 and name HD1*)(resid 181 and name HA) 3.7 1.9 1.11	
assign (resid 173 and name HD1*)(resid 120 and name HA)  3.7 1.9 1.11	
assign (resid 173 and name HD*)(resid 145 and name HG1)  3.4 1.6 1.02	
assign (resid 173 and name HD*)(resid 145 and name HG2)  3.6 1.8 1.08	
assign (resid 173 and name HD1*)(resid 170 and name HA)  4 2.2 1.2	
assign (resid 173 and name HD1*)(resid 170 and name HB)  3.6 1.8 1.08			
assign (resid 173 and name HD2*)(resid 120 and name HA)  3.7 1.9 1.11	
assign (resid 173 and name HD2*)(resid 121 and name HB)  3.5 1.7 1.05	
assign (resid 173 and name HD2*)(resid 170 and name HA)  4.2 2.4 1.26	
assign (resid 173 and name HD2*)(resid 170 and name HB)  3.5 1.7 1.05	
assign (resid 173 and name HD2*)(resid 171 and name HA)  4 2.2 1.2	
assign (resid 173 and name HD2*)(resid 179 and name HE*)  3.8 2 1.14	
assign (resid 181 and name HG*)(resid 114 and name HG*)  2.7 0.9 0.81	
assign (resid 181 and name HG*)(resid 143 and name HA)  3.1 1.3 0.93	
assign (resid 181 and name HG1*)(resid 145 and name HA)  3.5 1.7 1.05
assign (resid 181 and name HG2*)(resid 145 and name HA)  3.5 1.7 1.05
assign (resid 181 and name HG*)(resid 179 and name HA)  3.6 1.8 1.08	
assign (resid 181 and name HG*)(resid 179 and name HB*)  3.8 2.0 1.14
assign (resid 181 and name HG*)(resid 179 and name HD*)  3.9 2.1 1.17
assign (resid 181 and name HG*)(resid 182 and name HA)  3.0 1.2 0.90	
assign (resid 181 and name HG*)(resid 183 and name HG1*)  3.5 1.7 1.05	
assign (resid 181 and name HG*)(resid 183 and name HG2*)  3.6 1.8 1.08	
assign (resid 181 and name HG*)(resid 199 and name HB*)  3.1 1.3 0.93	
assign (resid 183 and name HG*)(resid 112 and name HB1)  3.6 1.8 1.08	
assign (resid 183 and name HG*)(resid 112 and name HB2)  3.7 1.9 1.11	
assign (resid 183 and name HG*)(resid 112 and name HD*)  4.1 2.3 1.23	
assign (resid 183 and name HG*)(resid 112 and name HE*)  4.2 2.4 1.26	
assign (resid 183 and name HG*)(resid 125 and name HA)  3.7 1.9 1.11	
assign (resid 183 and name HG*)(resid 125 and name HB)  3.7 1.9 1.11	
assign (resid 183 and name HG*)(resid 125 and name HG1*)  3.7 1.9 1.11	
assign (resid 183 and name HG*)(resid 125 and name HG2*)  3.4 1.2 0.9	
assign (resid 183 and name HG*)(resid 143 and name HA)  3 1.2 0.9	
assign (resid 183 and name HG*)(resid 143 and name HD1*)  3.4 1.6 1.02	
assign (resid 183 and name HG*)(resid 181 and name HB)  3.6 1.8 1.08	
assign (resid 183 and name HG*)(resid 181 and name HG*)  2.8 1 0.84
assign (resid 183 and name HG*)(resid 196 and name HB1)  3.6 1.8 1.08
assign (resid 183 and name HG*)(resid 196 and name HB2)  3.6 1.8 1.08
assign (resid 185 and name HD*)(resid 107 and name HA)  3.1 1.3 0.93	
assign (resid 185 and name HD*)(resid 107 and name HB1)  3.2 1.4 0.96	
assign (resid 185 and name HD*)(resid 107 and name HB2)  3.2 1.4 0.96	
assign (resid 185 and name HD*)(resid 107 and name HD*)  4.1 2.3 1.23	
assign (resid 185 and name HD*)(resid 139 and name HD*)  3.9 2.1 1.17	
assign (resid 192 and name HB*)(resid 189 and name HA)  4.1 2.3 1.23	
assign (resid 192 and name HB*)(resid 189 and name HB1)  3.4 1.6 1.02	
assign (resid 192 and name HB*)(resid 189 and name HB2)  3.2 1.4 0.96	
assign (resid 192 and name HB*)(resid 194 and name HG1*)  3.3 1.5 0.99	
assign (resid 193 and name HG*)(resid 184 and name HD*)  3.3 1.5 0.99	
assign (resid 193 and name HG*)(resid 184 and name HE*)  3.1 1.3 0.93
assign (resid 193 and name HG1*)(resid 195 and name HB1)  3.5 1.7 1.05
assign (resid 193 and name HG1*)(resid 195 and name HB2)  3.5 1.7 1.05	
assign (resid 193 and name HG2*)(resid 195 and name HB1)  3.5 1.7 1.05
assign (resid 193 and name HG2*)(resid 195 and name HB2)  3.5 1.7 1.05
assign (resid 198 and name HD*)(resid 146 and name HB1)  3.1 1.3 0.93	
assign (resid 198 and name HD*)(resid 146 and name HB2)  3.2 1.4 0.96	
assign (resid 198 and name HD*)(resid 146 and name HG*)  3 1.2 0.9	
assign (resid 198 and name HD1*)(resid 180 and name HA)  3.2 1.4 0.96
assign (resid 198 and name HD2*)(resid 180 and name HA)  3.2 1.4 0.96	
assign (resid 198 and name HD*)(resid 180 and name HB1)  2.7 0.9 0.81	
assign (resid 198 and name HD*)(resid 180 and name HB2)  2.7 0.9 0.81	
assign (resid 198 and name HD*)(resid 182 and name HA)  2.9 1.1 0.87	
assign (resid 198 and name HD*)(resid 182 and name HB1)  2.7 0.9 0.81	
assign (resid 198 and name HD*)(resid 182 and name HB2)  2.5 0.7 0.75
assign (resid 198 and name HD*)(resid 200 and name HA)  3.7 1.9 1.11
assign (resid 201 and name HG2*)(resid 114 and name HG2*)  2.9 1.1 0.87	
assign (resid 201 and name HG2*)(resid 116 and name HA1)  3 1.2 0.9	
assign (resid 201 and name HG2*)(resid 116 and name HA2)  3.3 1.5 0.99	
assign (resid 201 and name HG2*)(resid 121 and name HA)  3.3 1.5 0.99	
assign (resid 201 and name HG2*)(resid 179 and name HB*)  3.7 1.9 1.11	
assign (resid 201 and name HG2*)(resid 179 and name HD*)  4.2 2.4 1.26	
assign (resid 202 and name HD1*)(resid 176 and name HA)  3.1 1.3 0.93
assign (resid 202 and name HD2*)(resid 176 and name HA)  3.1 1.3 0.93	
assign (resid 202 and name HD*)(resid 176 and name HB1)  3.5 1.7 1.05	
assign (resid 202 and name HD*)(resid 176 and name HB2)  3.5 1.7 1.05
assign (resid 202 and name HD*)(resid 177 and name HA)  3 1.2 0.9
assign (resid 202 and name HD*)(resid 177 and name HB)  2.6 0.8 0.78	
assign (resid 202 and name HD1*)(resid 178 and name HA)  2.7 0.9 0.81
assign (resid 202 and name HD2*)(resid 178 and name HA)  2.7 0.9 0.81	
assign (resid 202 and name HD*)(resid 178 and name HB1)  2.9 1.1 0.87	
assign (resid 202 and name HD*)(resid 178 and name HB2)  3 1.2 0.9	
assign (resid 203 and name HD*)(resid 116 and name HA1)  3.1 1.3 0.93
assign (resid 203 and name HD*)(resid 116 and name HA2)  3.1 1.3 0.93
assign (resid 107 and name HD*)(resid 139 and name HD1*)  3.5 1.7 1.05
assign (resid 107 and name HD*)(resid 139 and name HD2*)  3.5 1.7 1.05
assign (resid 107 and name HE*)(resid 139 and name HD1*)  3.5 1.7 1.05
assign (resid 107 and (name HD* OR name HE*))(resid 105 and name HE*)  4.0 2.2 1.20
assign (resid 107 and name HE*)(resid 139 and name HD2*)  3.5 1.7 1.05
assign (resid 107 and name HZ)(resid 139 and name HD*)  4.1 2.3 1.23	
assign (resid 112 and name HD*)(resid 114 and name HG1*)  2.7 0.9 0.81	
assign (resid 112 and name HD*)(resid 114 and name HG2*)  2.9 1.1 0.87	
assign (resid 112 and name HD*)(resid 183 and name HG1*)  3.6 1.8 1.08	
assign (resid 112 and name HD*)(resid 183 and name HG2*)  3.6 1.8 1.08	
assign (resid 112 and name HE*)(resid 114 and name HD*)  3.7 1.9 1.11	
assign (resid 112 and name HE*)(resid 114 and name HG1*)  2.9 1.1 0.87	
assign (resid 112 and name HE*)(resid 114 and name HG2*)  3.5 1.7 1.05	
assign (resid 112 and name HZ)(resid 114 and name HD*)  4.4 2.6 1.32	
assign (resid 112 and name HZ)(resid 114 and name HG1*)  4.2 2.4 1.26	
assign (resid 112 and name HZ)(resid 114 and name HG2*)  4.2 2.4 1.26	
assign (resid 112 and name HZ)(resid 183 and name HG*)  4.4 2.6 1.32	
assign (resid 112 and name HD*)(resid 125 and name HA) 3.2 1.4 0.96  
assign (resid 112 and name HE*)(resid 181 and name HG*) 3.4 1.6 1.02 
assign (resid 112 and name HE*)(resid 182 and name HA) 3 1.2 0.9  
assign (resid 112 and name HZ)(resid 181 and name HG*) 3.8 2 1.14  
assign (resid 112 and name HZ)(resid 182 and name HA) 2.7 0.9 0.81  
assign (resid 117 and name HD*)(resid 115 and name HB) 3.1 1.3 0.93  
assign (resid 120 and name HD2)(resid 169 and name HD1*) 3.3 1.5 0.99
assign (resid 120 and name HD2)(resid 169 and name HG2*) 2.8 1 0.84    
assign (resid 127 and name HE*)(resid 139 and name HD*) 3.3 1.5 0.99
assign (resid 127 and name HE*)(resid 162 and name HE*) 3.8 2 1.14      
assign (resid 127 and name HZ)(resid 139 and name HD*) 3.5 1.7 1.05 
assign (resid 127 and name HE*)(resid 125 and name HG*) 3.5 1.7 1.05
assign (resid 127 and name HZ)(resid 125 and name HG*) 3.5 1.7 1.05
assign (resid 127 and name HE*)(resid 158 and name HG2*) 3.3 1.5 0.99
assign (resid 127 and name HZ)(resid 158 and name HG2*) 3.3 1.5 0.99
assign (resid 127 and name HE*)(resid 158 and name HD1*) 3.6 1.8 1.08
assign (resid 127 and name HZ)(resid 158 and name HD1*) 3.6 1.8 1.08
assign (resid 127 and name HZ)(resid 162 and name HE*) 3.8 2.0 1.14
assign (resid 127 and name HE*)(resid 166 and name HB*) 3.0 1.2 0.90  
assign (resid 137 and (name HD* OR name HE* OR name HZ))(resid 105 and name HE*)  3.3 1.5 0.99
assign (resid 137 and name HD*)(resid 135 and name HD*)  3.2 1.4 0.96 
assign (resid 137 and name HE*)(resid 135 and name HD*)  3.1 1.3 0.93 
assign (resid 137 and name HD*)(resid 139 and name HD1*)  3.8 2.0 1.14
assign (resid 137 and name HD*)(resid 139 and name HD2*)  3.8 2.0 1.14
assign (resid 137 and name HE*)(resid 139 and name HD*)  3.4 1.6 1.02
assign (resid 137 and name HE*)(resid 139 and name HB*)  3.6 1.8 1.08
assign (resid 137 and name HZ)(resid 139 and name HB*)  3.4 1.6 1.02
assign (resid 154 and name HD2)((resid 145 and name HA) or (resid 145 and name HA)) 3.5 1.7 1.05  
assign (resid 154 and name HD2)(resid 170 and name HD1*) 4.0 2.2 1.20
assign (resid 154 and name HD2)(resid 145 and name HB*)  2.9 1.1 0.87	
assign (resid 154 and name HD2)(resid 145 and name HG1)  3.7 1.9 1.11	
assign (resid 154 and name HD2)(resid 145 and name HG2)  3.6 1.8 1.08	
assign (resid 154 and name HE1)(resid 168 and name HE*)  4.0 2.2 1.2	
assign (resid 154 and name HE1)(resid 170 and name HD*)  4.8 3.0 1.44	
assign (resid 154 and name HE1)(resid 170 and name HG2*)  4.2 2.4 1.26	
assign (resid 154 and name HE1)(resid 173 and name HD*)  4.8 3.0 1.44	
assign (resid 166 and name HD*)(resid 162 and name HA) 2.9 1.1 0.87  
assign (resid 166 and name HD*)(resid 162 and name HE*) 3.5 1.7 1.05 
assign (resid 166 and name HD*)(resid 162 and name HG1) 3.1 1.3 0.93 
assign (resid 166 and name HD*)(resid 162 and name HG2) 3.3 1.5 0.99 
assign (resid 166 and name HE*)(resid 162 and name HA) 2.9 1.1 0.87  
assign (resid 166 and name HE*)(resid 162 and name HE*) 3.6 1.8 1.08 
assign (resid 166 and name HE*)(resid 162 and name HG1) 3 1.2 0.9   
assign (resid 166 and name HE*)(resid 162 and name HG2) 3.4 1.6 1.02
assign (resid 166 and name HZ)(resid 158 and name HA) 3 1.2 0.90
assign (resid 166 and name HZ)(resid 161 and name HB1) 3.1 1.3 0.93
assign (resid 166 and name HZ)(resid 161 and name HB2) 3.1 1.3 0.93 
assign (resid 166 and name HZ)(resid 162 and name HE*) 3.7 1.9 1.11  
assign (resid 166 and name HE*)(resid 158 and name HD*)  3.3 1.5 0.99	
assign (resid 166 and name HZ)(resid 158 and name HD*)  3.5 1.7 1.05	
assign (resid 168 and name HD*)(resid 170 and name HA)  3.3 1.5 0.99		
assign (resid 168 and name HE*)(resid 170 and name HA)  2.7 0.9 0.81		
assign (resid 168 and name HD*)(resid 143 and name HG11) 2.4 0.6 0.72
assign (resid 168 and name HD*)(resid 143 and name HG11) 2.9 1.1 0.87
assign (resid 168 and name HD*)(resid 143 and name HG12) 2.8 1 0.84  
assign (resid 168 and name HD*)(resid 156 and name HA) 3.3 1.5 0.99  
assign (resid 168 and name HD*)(resid 156 and name HB1) 3.4 1.6 1.02 
assign (resid 168 and name HD*)(resid 156 and name HB2) 2.9 1.1 0.87 
assign (resid 168 and name HD*)(resid 156 and name HB2) 3 1.2 0.9   
assign (resid 168 and name HD*)(resid 170 and name HD1*) 2.9 1.1 0.87
assign (resid 168 and name HD*)(resid 170 and name HD1*) 3.7 1.9 1.11
assign (resid 168 and name HD*)(resid 170 and name HG11) 2.9 1.1 0.87
assign (resid 168 and name HE*)(resid 143 and name HD1*) 3.5 1.7 1.05
assign (resid 168 and name HE*)(resid 143 and name HG11) 3 1.2 0.9   
assign (resid 168 and name HE*)(resid 143 and name HG12) 2.8 1 0.84  
assign (resid 168 and name HE*)(resid 143 and name HG2*) 3.7 1.9 1.11
assign (resid 168 and name HE*)(resid 156 and name HA) 3.3 1.5 0.99  
assign (resid 168 and name HE*)(resid 156 and name HB1) 3.2 1.4 0.96 
assign (resid 168 and name HE*)(resid 170 and name HD1*) 3.4 1.6 1.02
assign (resid 168 and name HE*)(resid 170 and name HG11) 2.8 1 0.84  
assign (resid 179 and name HD*)(resid 147 and name HA)  3 1.2 0.9	
assign (resid 179 and name HD*)(resid 147 and name HB*)  3 1.2 0.9	
assign (resid 179 and name HD*)(resid 173 and name HD1*)  3.7 1.9 1.11	
assign (resid 179 and name HD*)(resid 173 and name HD2*)  3.7 1.9 1.11	
assign (resid 179 and name HD*)(resid 177 and name HB)  2.7 0.9 0.81	
assign (resid 179 and name HD*)(resid 181 and name HB)  3.2 1.4 0.96	
assign (resid 179 and name HE*)(resid 147 and name HB*)  3.1 1.3 0.93	
assign (resid 179 and name HE*)(resid 173 and name HD1*)  3.5 1.7 1.05	
assign (resid 179 and name HE*)(resid 173 and name HD2*)  3.5 1.7 1.05	
assign (resid 179 and name HE*)(resid 177 and name HB)  2.4 0.6 0.72	
assign (resid 179 and name HE*)(resid 181 and name HB)  3.1 1.3 0.93		
assign (resid 179 and name HD*)(resid 114 and name HG1*) 3.3 1.5 0.99
assign (resid 179 and name HD*)(resid 121 and name HD1*) 3.4 1.6 1.02
assign (resid 179 and name HE*)(resid 121 and name HD1*) 3.9 2.1 1.17
assign (resid 184 and name HD*)(resid 142 and name HG*)  3.4 1.6 1.02
assign (resid 184 and name HD*)(resid 144 and name HB1) 3.5 1.7 1.05   
assign (resid 184 and name HD*)(resid 144 and name HB2) 3.5 1.7 1.05 
assign (resid 184 and name HD*)(resid 144 and name HG2) 3.5 1.7 1.05 
assign (resid 184 and name HD*)(resid 186 and name HG*) 3.7 1.9 1.11
assign (resid 184 and name HD*)(resid 193 and name HB) 3.5 1.7 1.05 
assign (resid 184 and name HD*)(resid 195 and name HB1) 3.4 1.6 1.02 
assign (resid 184 and name HD*)(resid 195 and name HB2) 3.4 1.6 1.02 
assign (resid 184 and name HD*)(resid 195 and name HE1) 3.5 1.7 1.05 
assign (resid 184 and name HD*)(resid 195 and name HE2) 3.7 1.9 1.11 
assign (resid 184 and name HD*)(resid 195 and name HG1) 3.2 1.4 0.96 
assign (resid 184 and name HD*)(resid 195 and name HG2) 3.3 1.5 0.99 
assign (resid 184 and name HE*)(resid 144 and name HB1) 3.2 1.4 0.96 
assign (resid 184 and name HE*)(resid 144 and name HB2) 3.2 1.4 0.96  
assign (resid 184 and name HE*)(resid 144 and name HG1) 3.1 1.3 0.93 
assign (resid 184 and name HE*)(resid 144 and name HG2) 3 1.2 0.9   
assign (resid 184 and name HE*)(resid 186 and name HG*) 3.8 2 1.14   
assign (resid 184 and name HE*)(resid 193 and name HB) 3.5 1.7 1.05  
assign (resid 184 and name HE*)(resid 195 and name HE1) 3.5 1.7 1.05 
assign (resid 184 and name HE*)(resid 195 and name HE2) 3.5 1.7 1.05 
assign (resid 184 and name HE*)(resid 195 and name HG*) 4 2.2 1.2   					
assign (resid 184 and name HE*)(resid 142 and name HG*)  3.3 1.5 0.99		

assign (resid 20 and name HA)(resid 127 and name HA) 3.1 1.3 0.93
assign (resid 20 and name HA)(resid 128 and name HD1) 3.5 1.7 1.05
assign (resid 20 and name HA)(resid 127 and name HD2) 3.5 1.7 1.05
assign (resid 20 and name HB*)(resid 128 and name HG1) 3 1.2 0.9
assign (resid 20 and name HB*)(resid 128 and name HG2) 3 1.2 0.9
assign (resid 20 and name HB*)(resid 128 and name HB*) 2.9 1.1 0.87


!!! Hydrogen bond constraints

assign (resid 13 and name HN)(resid 28 and name O) 2.05 0.25 0.25 
assign (resid 13 and name  N)(resid 28 and name O)  2.9  0.4  0.4 
assign (resid 28 and name HN)(resid 13 and name O) 2.05 0.25 0.25 
assign (resid 28 and name  N)(resid 13 and name O)  2.9  0.4  0.4 
assign (resid 15 and name HN)(resid 26 and name O) 2.05 0.25 0.25 
assign (resid 15 and name  N)(resid 26 and name O)  2.9  0.4  0.4 
assign (resid 26 and name HN)(resid 15 and name O) 2.05 0.25 0.25 
assign (resid 26 and name  N)(resid 15 and name O)  2.9  0.4  0.4 
assign (resid 17 and name HN)(resid 24 and name O) 2.05 0.25 0.25 
assign (resid 17 and name  N)(resid 24 and name O)  2.9  0.4  0.4 
assign (resid 24 and name HN)(resid 17 and name O) 2.05 0.25 0.25 
assign (resid 24 and name  N)(resid 17 and name O)  2.9  0.4  0.4 
assign (resid 19 and name HN)(resid 22 and name O) 2.05 0.25 0.25 
assign (resid 19 and name  N)(resid 22 and name O)  2.9  0.4  0.4 
assign (resid 22 and name HN)(resid 19 and name O) 2.05 0.25 0.25 
assign (resid 22 and name  N)(resid 19 and name O)  2.9  0.4  0.4 
assign (resid 23 and name HN)(resid 68 and name O) 2.05 0.25 0.25 
assign (resid 23 and name  N)(resid 68 and name O)  2.9  0.4  0.4 
assign (resid 68 and name HN)(resid 23 and name O) 2.05 0.25 0.25 
assign (resid 68 and name  N)(resid 23 and name O)  2.9  0.4  0.4 
assign (resid 25 and name HN)(resid 66 and name O) 2.05 0.25 0.25 
assign (resid 25 and name  N)(resid 66 and name O)  2.9  0.4  0.4 
assign (resid 66 and name HN)(resid 25 and name O) 2.05 0.25 0.25 
assign (resid 66 and name  N)(resid 25 and name O)  2.9  0.4  0.4 
assign (resid 43 and name HN)(resid 53 and name O) 2.05 0.25 0.25 
assign (resid 43 and name  N)(resid 53 and name O)  2.9  0.4  0.4 
assign (resid 53 and name HN)(resid 43 and name O) 2.05 0.25 0.25 
assign (resid 53 and name  N)(resid 43 and name O)  2.9  0.4  0.4 
assign (resid 55 and name HN)(resid 41 and name O) 2.05 0.25 0.25 
assign (resid 55 and name  N)(resid 41 and name O)  2.9  0.4  0.4 
assign (resid 40 and name HN)(resid 84 and name O) 2.05 0.25 0.25 
assign (resid 40 and name  N)(resid 84 and name O)  2.9  0.4  0.4 
assign (resid 84 and name HN)(resid 40 and name O) 2.05 0.25 0.25 
assign (resid 84 and name  N)(resid 40 and name O)  2.9  0.4  0.4 
assign (resid 42 and name HN)(resid 82 and name O) 2.05 0.25 0.25 
assign (resid 42 and name  N)(resid 82 and name O)  2.9  0.4  0.4 
assign (resid 82 and name HN)(resid 42 and name O) 2.05 0.25 0.25 
assign (resid 82 and name  N)(resid 42 and name O)  2.9  0.4  0.4 
assign (resid 44 and name HN)(resid 80 and name O) 2.05 0.25 0.25 
assign (resid 44 and name  N)(resid 80 and name O)  2.9  0.4  0.4 
assign (resid 80 and name HN)(resid 44 and name O) 2.05 0.25 0.25 
assign (resid 80 and name  N)(resid 44 and name O)  2.9  0.4  0.4 
assign (resid 87 and name HN)(resid 90 and name O) 2.05 0.25 0.25 
assign (resid 87 and name  N)(resid 90 and name O)  2.9  0.4  0.4 
assign (resid 90 and name HN)(resid 87 and name O) 2.05 0.25 0.25 
assign (resid 90 and name  N)(resid 87 and name O)  2.9  0.4  0.4 
assign (resid 83 and name HN)(resid 95 and name O) 2.05 0.25 0.25 
assign (resid 83 and name  N)(resid 95 and name O)  2.9  0.4  0.4 
assign (resid 95 and name HN)(resid 83 and name O) 2.05 0.25 0.25 
assign (resid 95 and name  N)(resid 83 and name O)  2.9  0.4  0.4 
assign (resid 81 and name HN)(resid 97 and name O) 2.05 0.25 0.25 
assign (resid 81 and name  N)(resid 97 and name O)  2.9  0.4  0.4 
assign (resid 97 and name HN)(resid 81 and name O) 2.05 0.25 0.25 
assign (resid 97 and name  N)(resid 81 and name O)  2.9  0.4  0.4 
assign (resid 79 and name HN)(resid 99 and name O) 2.05 0.25 0.25 
assign (resid 79 and name  N)(resid 99 and name O)  2.9  0.4  0.4 
assign (resid 99 and name HN)(resid 79 and name O) 2.05 0.25 0.25 
assign (resid 99 and name  N)(resid 79 and name O)  2.9  0.4  0.4 


assign (resid 104 and name HN)(resid 100 and name O) 2.05 0.25 0.25 
assign (resid 104 and name  N)(resid 100 and name O)  2.9  0.4  0.4 
assign (resid 105 and name HN)(resid 101 and name O) 2.05 0.25 0.25 
assign (resid 105 and name  N)(resid 101 and name O)  2.9  0.4  0.4 

assign (resid 111 and name HN)(resid 126 and name O) 2.05 0.25 0.25 
assign (resid 111 and name  N)(resid 126 and name O)  2.9  0.4  0.4 
assign (resid 126 and name HN)(resid 111 and name O) 2.05 0.25 0.25 
assign (resid 126 and name  N)(resid 111 and name O)  2.9  0.4  0.4 
assign (resid 113 and name HN)(resid 124 and name O) 2.05 0.25 0.25 
assign (resid 113 and name  N)(resid 124 and name O)  2.9  0.4  0.4 
assign (resid 124 and name HN)(resid 113 and name O) 2.05 0.25 0.25 
assign (resid 124 and name  N)(resid 113 and name O)  2.9  0.4  0.4 
assign (resid 115 and name HN)(resid 122 and name O) 2.05 0.25 0.25 
assign (resid 115 and name  N)(resid 122 and name O)  2.9  0.4  0.4 
assign (resid 122 and name HN)(resid 115 and name O) 2.05 0.25 0.25 
assign (resid 122 and name  N)(resid 115 and name O)  2.9  0.4  0.4 
assign (resid 117 and name HN)(resid 120 and name O) 2.05 0.25 0.25 
assign (resid 117 and name  N)(resid 120 and name O)  2.9  0.4  0.4 
assign (resid 120 and name HN)(resid 117 and name O) 2.05 0.25 0.25 
assign (resid 120 and name  N)(resid 117 and name O)  2.9  0.4  0.4 
assign (resid 121 and name HN)(resid 170 and name O) 2.05 0.25 0.25 
assign (resid 121 and name  N)(resid 170 and name O)  2.9  0.4  0.4 
assign (resid 170 and name HN)(resid 121 and name O) 2.05 0.25 0.25 
assign (resid 170 and name  N)(resid 121 and name O)  2.9  0.4  0.4 
assign (resid 123 and name HN)(resid 168 and name O) 2.05 0.25 0.25 
assign (resid 123 and name  N)(resid 168 and name O)  2.9  0.4  0.4 
assign (resid 168 and name HN)(resid 123 and name O) 2.05 0.25 0.25 
assign (resid 168 and name  N)(resid 123 and name O)  2.9  0.4  0.4 
assign (resid 125 and name HN)(resid 166 and name O) 2.05 0.25 0.25 
assign (resid 125 and name  N)(resid 166 and name O)  2.9  0.4  0.4 
assign (resid 166 and name HN)(resid 125 and name O) 2.05 0.25 0.25 
assign (resid 166 and name  N)(resid 125 and name O)  2.9  0.4  0.4
assign (resid 127 and name HN)(resid 164 and name O) 2.05 0.25 0.25 
assign (resid 127 and name  N)(resid 164 and name O)  2.9  0.4  0.4 
assign (resid 164 and name HN)(resid 127 and name O) 2.05 0.25 0.25 
assign (resid 164 and name  N)(resid 127 and name O)  2.9  0.4  0.4 
assign (resid 143 and name HN)(resid 154 and name O) 2.05 0.25 0.25 
assign (resid 143 and name  N)(resid 154 and name O)  2.9  0.4  0.4 
assign (resid 154 and name HN)(resid 143 and name O) 2.05 0.25 0.25 
assign (resid 154 and name  N)(resid 143 and name O)  2.9  0.4  0.4 
assign (resid 145 and name HN)(resid 152 and name O) 2.05 0.25 0.25 
assign (resid 145 and name  N)(resid 152 and name O)  2.9  0.4  0.4 
assign (resid 152 and name HN)(resid 145 and name O) 2.05 0.25 0.25 
assign (resid 152 and name  N)(resid 145 and name O)  2.9  0.4  0.4 
assign (resid 147 and name HN)(resid 150 and name O) 2.05 0.25 0.25 
assign (resid 147 and name  N)(resid 150 and name O)  2.9  0.4  0.4 
assign (resid 150 and name HN)(resid 147 and name O) 2.05 0.25 0.25 
assign (resid 150 and name  N)(resid 147 and name O)  2.9  0.4  0.4 
assign (resid 140 and name HN)(resid 186 and name O) 2.05 0.25 0.25 
assign (resid 140 and name  N)(resid 186 and name O)  2.9  0.4  0.4 
assign (resid 186 and name HN)(resid 140 and name O) 2.05 0.25 0.25 
assign (resid 186 and name  N)(resid 140 and name O)  2.9  0.4  0.4 
assign (resid 142 and name HN)(resid 184 and name O) 2.05 0.25 0.25 
assign (resid 142 and name  N)(resid 184 and name O)  2.9  0.4  0.4 
assign (resid 184 and name HN)(resid 142 and name O) 2.05 0.25 0.25 
assign (resid 184 and name  N)(resid 142 and name O)  2.9  0.4  0.4 
assign (resid 144 and name HN)(resid 182 and name O) 2.05 0.25 0.25 
assign (resid 144 and name  N)(resid 182 and name O)  2.9  0.4  0.4 
assign (resid 182 and name HN)(resid 144 and name O) 2.05 0.25 0.25 
assign (resid 182 and name  N)(resid 144 and name O)  2.9  0.4  0.4 
assign (resid 146 and name HN)(resid 180 and name O) 2.05 0.25 0.25 
assign (resid 146 and name  N)(resid 180 and name O)  2.9  0.4  0.4 
assign (resid 180 and name HN)(resid 146 and name O) 2.05 0.25 0.25 
assign (resid 180 and name  N)(resid 146 and name O)  2.9  0.4  0.4 
assign (resid 179 and name HN)(resid 201 and name O) 2.05 0.25 0.25 
assign (resid 179 and name  N)(resid 201 and name O)  2.9  0.4  0.4 
assign (resid 201 and name HN)(resid 179 and name O) 2.05 0.25 0.25 
assign (resid 201 and name  N)(resid 179 and name O)  2.9  0.4  0.4 
assign (resid 181 and name HN)(resid 199 and name O) 2.05 0.25 0.25 
assign (resid 181 and name  N)(resid 199 and name O)  2.9  0.4  0.4 
assign (resid 199 and name HN)(resid 181 and name O) 2.05 0.25 0.25 
assign (resid 199 and name  N)(resid 181 and name O)  2.9  0.4  0.4 

assign (resid 134 and name HN)(resid 131 and name O) 2.05 0.25 0.25 
assign (resid 134 and name  N)(resid 131 and name O)  2.9  0.4  0.4 
assign (resid 135 and name HN)(resid 132 and name O) 2.05 0.25 0.25 
assign (resid 135 and name  N)(resid 132 and name O)  2.9  0.4  0.4 


!!! Dihedral angle constraints (experimantal)

assign (resid 5 and name C)(resid 6  and name N) 
       (resid 6  and name CA)(resid 6  and name C) 1 -120 50 2 
assign (resid 6 and name C)(resid 7  and name N) 
       (resid 7  and name CA)(resid 7  and name C) 1 -120 50 2 
assign (resid 7 and name C)(resid 8  and name N) 
       (resid 8  and name CA)(resid 8  and name C) 1 -120 50 2 
assign (resid 12 and name C)(resid 13  and name N) 
       (resid 13  and name CA)(resid 13  and name C) 1 -120 20 2 
assign (resid 13 and name C)(resid 14  and name N) 
       (resid 14  and name CA)(resid 14  and name C) 1 -120 50 2 
assign (resid 14 and name C)(resid 15  and name N) 
       (resid 15  and name CA)(resid 15  and name C) 1 -120 20 2 
assign (resid 15 and name C)(resid 16  and name N) 
       (resid 16  and name CA)(resid 16  and name C) 1 -120 50 2 
assign (resid 16 and name C)(resid 17 and name N) 
       (resid 17 and name CA)(resid 17 and name C) 1 -120 50 2 
assign (resid 21 and name C)(resid 22  and name N) 
       (resid 22  and name CA)(resid 22  and name C) 1 -120 30 2 
assign (resid 22 and name C)(resid 23 and name N) 
       (resid 23 and name CA)(resid 23 and name C) 1 -120 30 2 
assign (resid 23 and name C)(resid 24 and name N) 
       (resid 24 and name CA)(resid 24 and name C) 1 -120 30 2 
assign (resid 24 and name C)(resid 25 and name N) 
       (resid 25 and name CA)(resid 25 and name C) 1 -120 30 2 
assign (resid 25 and name C)(resid 26  and name N) 
       (resid 26  and name CA)(resid 26  and name C) 1 -120 20 2 
assign (resid 26 and name C)(resid 27  and name N) 
       (resid 27  and name CA)(resid 27  and name C) 1 -120 20 2 
assign (resid 27 and name C)(resid 28  and name N) 
       (resid 28  and name CA)(resid 28  and name C) 1 -120 50 2 
assign (resid 33 and name C)(resid 34  and name N) 
       (resid 34  and name CA)(resid 34  and name C) 1 -120 50 2 
assign (resid 34 and name C)(resid 35  and name N) 
       (resid 35  and name CA)(resid 35  and name C) 1 -120 50 2 
assign (resid 36 and name C)(resid 37 and name N) 
       (resid 37 and name CA)(resid 37 and name C) 1 -120 20 2 
assign (resid 37 and name C)(resid 38 and name N) 
       (resid 38 and name CA)(resid 38 and name C) 1 -65 25 2 
assign (resid 38 and name C)(resid 39  and name N) 
       (resid 39  and name CA)(resid 39  and name C) 1 -120 20 2 
assign (resid 39 and name C)(resid 40  and name N) 
       (resid 40  and name CA)(resid 40  and name C) 1 -120 20 2 
assign (resid 41 and name C)(resid 42  and name N) 
       (resid 42  and name CA)(resid 42  and name C) 1 -120 20 2 
assign (resid 43 and name C)(resid 44 and name N) 
       (resid 44 and name CA)(resid 44 and name C) 1 -120 50 2 
assign (resid 44 and name C)(resid 45  and name N) 
       (resid 45  and name CA)(resid 45  and name C) 1 -120 20 2 
assign (resid 45 and name C)(resid 46 and name N) 
       (resid 46 and name CA)(resid 46 and name C) 1 -65 25 2 
assign (resid 47 and name C)(resid 48  and name N) 
       (resid 48  and name CA)(resid 48  and name C) 1 -120 20 2 
assign (resid 51 and name C)(resid 52  and name N) 
       (resid 52  and name CA)(resid 52  and name C) 1 -65 25 2 
assign (resid 52 and name C)(resid 53 and name N) 
       (resid 53 and name CA)(resid 53 and name C) 1 -120 50 2 
assign (resid 60 and name C)(resid 61  and name N) 
       (resid 61  and name CA)(resid 61  and name C) 1 -120 20 2 
assign (resid 61 and name C)(resid 62  and name N) 
       (resid 62  and name CA)(resid 62  and name C) 1 -120 20 2 
assign (resid 63 and name C)(resid 64  and name N) 
       (resid 64  and name CA)(resid 64  and name C) 1 -120 50 2 
assign (resid 65 and name C)(resid 66  and name N) 
       (resid 66  and name CA)(resid 66  and name C) 1 -120 20 2 
assign (resid 66 and name C)(resid 67  and name N) 
       (resid 67  and name CA)(resid 67  and name C) 1 -120 50 2 
assign (resid 67 and name C)(resid 68  and name N) 
       (resid 68  and name CA)(resid 68  and name C) 1 -120 50 2  
assign (resid 76 and name C)(resid 77  and name N) 
       (resid 77  and name CA)(resid 77  and name C) 1 -120 50 2 
assign (resid 79 and name C)(resid 80  and name N) 
       (resid 80  and name CA)(resid 80  and name C) 1 -120 50 2 
assign (resid 80 and name C)(resid 81  and name N) 
       (resid 81  and name CA)(resid 81  and name C) 1 -120 20 2 
assign (resid 81 and name C)(resid 82  and name N) 
       (resid 82  and name CA)(resid 82  and name C) 1 -120 20 2 
assign (resid 83 and name C)(resid 84 and name N) 
       (resid 84 and name CA)(resid 84 and name C) 1 -120 50 2 
assign (resid 86 and name C)(resid 87  and name N) 
       (resid 87  and name CA)(resid 87  and name C) 1 -120 50 2 
assign (resid 89 and name C)(resid 90  and name N) 
       (resid 90  and name CA)(resid 90  and name C) 1 -120 50 2 
assign (resid 94 and name C)(resid 95 and name N) 
       (resid 95 and name CA)(resid 95 and name C) 1 -120 50 2 
assign (resid 96 and name C)(resid 97  and name N) 
       (resid 97  and name CA)(resid 97  and name C) 1 -120 50 2 
assign (resid 98 and name C)(resid 99 and name N) 
       (resid 99 and name CA)(resid 99 and name C) 1 -120 50 2 
assign (resid 99 and name C)(resid 100  and name N) 
       (resid 100  and name CA)(resid 100  and name C) 1 -120 50 2 
assign (resid 100 and name C)(resid 101 and name N) 
       (resid 101 and name CA)(resid 101 and name C) 1 -65 25 2 
assign (resid 101 and name C)(resid 102 and name N) 
       (resid 102 and name CA)(resid 102 and name C) 1 -65 25 2  
assign (resid 105 and name C)(resid 106 and name N) 
       (resid 106 and name CA)(resid 106 and name C) 1 -120 50 2 
assign (resid 110 and name C)(resid 111 and name N) 
       (resid 111 and name CA)(resid 111 and name C) 1 -120 50 2 
assign (resid 112 and name C)(resid 113  and name N) 
       (resid 113  and name CA)(resid 113  and name C) 1 -120 30 2 
assign (resid 113 and name C)(resid 114  and name N) 
       (resid 114  and name CA)(resid 114  and name C) 1 -120 30 2 
assign (resid 114 and name C)(resid 115  and name N) 
       (resid 115  and name CA)(resid 115  and name C) 1 -120 30 2 
assign (resid 116 and name C)(resid 117  and name N) 
       (resid 117  and name CA)(resid 117  and name C) 1 -120 30 2 
assign (resid 120 and name C)(resid 121  and name N) 
       (resid 121  and name CA)(resid 121  and name C) 1 -120 20 2 
assign (resid 121 and name C)(resid 122  and name N) 
       (resid 122  and name CA)(resid 122  and name C) 1 -120 20 2 
assign (resid 122 and name C)(resid 123  and name N) 
       (resid 123  and name CA)(resid 123  and name C) 1 -120 20 2 
assign (resid 124 and name C)(resid 125  and name N) 
       (resid 125  and name CA)(resid 125  and name C) 1 -120 20 2 
assign (resid 126 and name C)(resid 127  and name N) 
       (resid 127  and name CA)(resid 127  and name C) 1 -120 30 2 
assign (resid 131 and name C)(resid 132 and name N) 
       (resid 132 and name CA)(resid 132 and name C) 1 -65 25 2 
assign (resid 132 and name C)(resid 133 and name N) 
       (resid 133 and name CA)(resid 133 and name C) 1 -65 25 2 
assign (resid 136 and name C)(resid 137  and name N) 
       (resid 137  and name CA)(resid 137  and name C) 1 -120 50 2 
assign (resid 139 and name C)(resid 140  and name N) 
       (resid 140  and name CA)(resid 140  and name C) 1 -120 30 2 
assign (resid 141 and name C)(resid 142  and name N) 
       (resid 142  and name CA)(resid 142  and name C) 1 -120 30 2 
assign (resid 144 and name C)(resid 145 and name N) 
       (resid 145 and name CA)(resid 145 and name C) 1 -120 30 2 
assign (resid 145 and name C)(resid 146  and name N) 
       (resid 146  and name CA)(resid 146  and name C) 1 -120 30 2 
assign (resid 146 and name C)(resid 147  and name N) 
       (resid 147  and name CA)(resid 147  and name C) 1 -120 30 2 
assign (resid 149 and name C)(resid 150 and name N) 
       (resid 150 and name CA)(resid 150 and name C) 1 -120 30 2 
assign (resid 150 and name C)(resid 151  and name N) 
       (resid 151  and name CA)(resid 151  and name C) 1 -120 30 2 
assign (resid 152 and name C)(resid 153  and name N) 
       (resid 153  and name CA)(resid 153  and name C) 1 -120 30 2 
assign (resid 153 and name C)(resid 154  and name N) 
       (resid 154  and name CA)(resid 154  and name C) 1 -120 30 2 
assign (resid 154 and name C)(resid 155 and name N) 
       (resid 155 and name CA)(resid 155 and name C) 1 -120 50 2 
assign (resid 158 and name C)(resid 159 and name N) 
       (resid 159 and name CA)(resid 159 and name C) 1 -65 25 2 
assign (resid 164 and name C)(resid 165  and name N) 
       (resid 165  and name CA)(resid 165  and name C) 1 -65 25 2 
assign (resid 166 and name C)(resid 167  and name N) 
       (resid 167  and name CA)(resid 167  and name C) 1 -120 30 2 
assign (resid 167 and name C)(resid 168 and name N) 
       (resid 168 and name CA)(resid 168 and name C) 1 -120 30 2 
assign (resid 168 and name C)(resid 169  and name N) 
       (resid 169  and name CA)(resid 169  and name C) 1 -120 30 2 
assign (resid 169 and name C)(resid 170  and name N) 
       (resid 170  and name CA)(resid 170  and name C) 1 -120 50 2  
assign (resid 176 and name C)(resid 177  and name N) 
       (resid 177  and name CA)(resid 177  and name C) 1 -120 50 2 
assign (resid 178 and name C)(resid 179  and name N) 
       (resid 179  and name CA)(resid 179  and name C) 1 -120 50 2 
assign (resid 179 and name C)(resid 180  and name N) 
       (resid 180  and name CA)(resid 180  and name C) 1 -120 30 2 
assign (resid 180 and name C)(resid 181  and name N) 
       (resid 181  and name CA)(resid 181  and name C) 1 -120 30 2 
assign (resid 182 and name C)(resid 183 and name N) 
       (resid 183 and name CA)(resid 183 and name C) 1 -120 30 2 
assign (resid 184 and name C)(resid 185  and name N) 
       (resid 185  and name CA)(resid 185  and name C) 1 -120 30 2 
assign (resid 185 and name C)(resid 186 and name N) 
       (resid 186 and name CA)(resid 186 and name C) 1 -120 30 2 
assign (resid 191 and name C)(resid 192  and name N) 
       (resid 192  and name CA)(resid 192  and name C) 1 -65 25 2 
assign (resid 193 and name C)(resid 194  and name N) 
       (resid 194  and name CA)(resid 194  and name C) 1 -120 50 2 
assign (resid 198 and name C)(resid 199  and name N) 
       (resid 199  and name CA)(resid 199  and name C) 1 -120 30 2 
assign (resid 200 and name C)(resid 201 and name N) 
       (resid 201 and name CA)(resid 201 and name C) 1 -120 30 2


!!! Dihedral angle constraints (TALOS)

assign (resid 15 and name N)(resid 15 and name CA)
       (resid 15 and name C)(resid 16 and name N) 1 125 15 2
assign (resid 15 and name C)(resid 16 and name N)
       (resid 16 and name CA)(resid 16 and name C) 1 -120 15 2
assign (resid 18 and name C)(resid 19 and name N)
       (resid 19 and name CA)(resid 19 and name C) 1 -100 30 2
assign (resid 19 and name N)(resid 19 and name CA)
       (resid 19 and name C)(resid 20 and name N) 1 120 30 2
assign (resid 20 and name C)(resid 21 and name N)
       (resid 21 and name CA)(resid 21 and name C) 1 60 20 2
assign (resid 21 and name N)(resid 21 and name CA)
       (resid 21 and name C)(resid 22 and name N) 1 60 20 2
assign (resid 28 and name C)(resid 29 and name N)
       (resid 29 and name CA)(resid 29 and name C) 1 -100 25 2
assign (resid 29 and name N)(resid 29 and name CA)
       (resid 29 and name C)(resid 30 and name N) 1 130 20 2
assign (resid 29 and name C)(resid 30 and name N)
       (resid 30 and name CA)(resid 30 and name C) 1 -80 20 2
assign (resid 30 and name N)(resid 30 and name CA)
       (resid 30 and name C)(resid 31 and name N) 1 150 20 2
assign (resid 30 and name C)(resid 31 and name N)
       (resid 31 and name CA)(resid 31 and name C) 1 -90 40 2
assign (resid 31 and name C)(resid 32 and name N)
       (resid 32 and name CA)(resid 32 and name C) 1 -90 30 2
assign (resid 32 and name C)(resid 33 and name N)
       (resid 33 and name CA)(resid 33 and name C) 1 -80 30 2
assign (resid 33 and name C)(resid 34 and name N)
       (resid 34 and name CA)(resid 34 and name C) 1 -100 30 2
assign (resid 34 and name N)(resid 34 and name CA)
       (resid 34 and name C)(resid 35 and name N) 1 120 30 2
assign (resid 34 and name C)(resid 35 and name N)
       (resid 35 and name CA)(resid 35 and name C) 1 -110 30 2
assign (resid 35 and name N)(resid 35 and name CA)
       (resid 35 and name C)(resid 36 and name N) 1 120 30 2
assign (resid 46 and name C)(resid 47 and name N)
       (resid 47 and name CA)(resid 47 and name C) 1 -85 20 2
assign (resid 47 and name N)(resid 47 and name CA)
       (resid 47 and name C)(resid 48 and name N) 1 -10 20 2
assign (resid 58 and name C)(resid 59 and name N)
       (resid 59 and name CA)(resid 59 and name C) 1 -110 30 2
assign (resid 59 and name N)(resid 59 and name CA)
       (resid 59 and name C)(resid 60 and name N) 1 150 30 2
assign (resid 59 and name C)(resid 60 and name N)
       (resid 60 and name CA)(resid 60 and name C) 1 -20 30 2
assign (resid 60 and name N)(resid 60 and name CA)
       (resid 60 and name C)(resid 61 and name N) 1 100 20 2
assign (resid 63 and name C)(resid 64 and name N)
       (resid 64 and name CA)(resid 64 and name C) 1 -90 25 2
assign (resid 64 and name C)(resid 65 and name N)
       (resid 65 and name CA)(resid 65 and name C) 1 -95 25 2
assign (resid 68 and name C)(resid 69 and name N)
       (resid 69 and name CA)(resid 69 and name C) 1 -65 20 2
assign (resid 69 and name N)(resid 69 and name CA)
       (resid 69 and name C)(resid 70 and name N) 1 -40 20 2
assign (resid 69 and name C)(resid 70 and name N)
       (resid 70 and name CA)(resid 70 and name C) 1 -85 30 2
assign (resid 70 and name N)(resid 70 and name CA)
       (resid 70 and name C)(resid 71 and name N) 1 -15 30 2
assign (resid 70 and name C)(resid 71 and name N)
       (resid 71 and name CA)(resid 71 and name C) 1 -90 20 2
assign (resid 71 and name N)(resid 71 and name CA)
       (resid 71 and name C)(resid 72 and name N) 1 -20 30 2
assign (resid 85 and name C)(resid 86 and name N)
       (resid 86 and name CA)(resid 86 and name C) 1 -110 30 2
assign (resid 86 and name N)(resid 86 and name CA)
       (resid 86 and name C)(resid 87 and name N) 1 150 30 2
assign (resid 86 and name C)(resid 87 and name N)
       (resid 87 and name CA)(resid 87 and name C) 1 -110 30 2
assign (resid 87 and name N)(resid 87 and name CA)
       (resid 87 and name C)(resid 88 and name N) 1 130 30 2
assign (resid 88 and name C)(resid 89 and name N)
       (resid 89 and name CA)(resid 89 and name C) 1 -100 20 2
assign (resid 89 and name N)(resid 89 and name CA)
       (resid 89 and name C)(resid 90 and name N) 1 0 20 2
assign (resid 89 and name C)(resid 90 and name N)
       (resid 90 and name CA)(resid 90 and name C) 1 -80 30 2
assign (resid 90 and name N)(resid 90 and name CA)
       (resid 90 and name C)(resid 91 and name N) 1 120 30 2
assign (resid 90 and name C)(resid 91 and name N)
       (resid 91 and name CA)(resid 91 and name C) 1 -80 30 2
assign (resid 91 and name N)(resid 91 and name CA)
       (resid 91 and name C)(resid 92 and name N) 1 130 20 2
assign (resid 91 and name C)(resid 92 and name N)
       (resid 92 and name CA)(resid 92 and name C) 1 -90 20 2
assign (resid 92 and name N)(resid 92 and name CA)
       (resid 92 and name C)(resid 93 and name N) 1 -40 20 2
assign (resid 99 and name N)(resid 99 and name CA)
       (resid 99 and name C)(resid 100 and name N) 1 140 25 2
assign (resid 99 and name C)(resid 100 and name N)
       (resid 100 and name CA)(resid 100 and name C) 1 -85 15 2
assign (resid 103 and name N)(resid 103 and name CA)
       (resid 103 and name C)(resid 104 and name N) 1 -20 20 2
assign (resid 103 and name C)(resid 104 and name N)
       (resid 104 and name CA)(resid 104 and name C) 1 -100 30 2
assign (resid 104 and name N)(resid 104 and name CA)
       (resid 104 and name C)(resid 105 and name N) 1 -10 40 2
assign (resid 105 and name C)(resid 106 and name N)
       (resid 106 and name CA)(resid 106 and name C) 1 -100 20 2
assign (resid 106 and name N)(resid 106 and name CA)
       (resid 106 and name C)(resid 107 and name N) 1 135 40 2
assign (resid 106 and name C)(resid 107 and name N)
       (resid 107 and name CA)(resid 107 and name C) 1 -100 20 2
assign (resid 107 and name N)(resid 107 and name CA)
       (resid 107 and name C)(resid 108 and name N) 1 130 25 2
assign (resid 117 and name C)(resid 118 and name N)
       (resid 118 and name CA)(resid 118 and name C) 1 -60 20 2
assign (resid 118 and name N)(resid 118 and name CA)
       (resid 118 and name C)(resid 119 and name N) 1 -40 20 2
assign (resid 118 and name C)(resid 119 and name N)
       (resid 119 and name CA)(resid 119 and name C) 1 -100 20 2
assign (resid 119 and name N)(resid 119 and name CA)
       (resid 119 and name C)(resid 120 and name N) 1 -10 20 2
assign (resid 123 and name N)(resid 123 and name CA)
       (resid 123 and name C)(resid 124 and name N) 1 125 15 2
assign (resid 125 and name N)(resid 125 and name CA)
       (resid 125 and name C)(resid 126 and name N) 1 130 15 2
assign (resid 128 and name C)(resid 129 and name N)
       (resid 129 and name CA)(resid 129 and name C) 1 -90 20 2
assign (resid 129 and name C)(resid 130 and name N)
       (resid 130 and name CA)(resid 130 and name C) 1 -110 30 2
assign (resid 130 and name N)(resid 130 and name CA)
       (resid 130 and name C)(resid 131 and name N) 1 140 30 2
assign (resid 130 and name C)(resid 131 and name N)
       (resid 131 and name CA)(resid 131 and name C) 1 -90 25 2
assign (resid 131 and name N)(resid 131 and name CA)
       (resid 131 and name C)(resid 132 and name N) 1 130 30 2
assign (resid 132 and name N)(resid 132 and name CA)
       (resid 132 and name C)(resid 133 and name N) 1 -28 11 2
assign (resid 133 and name N)(resid 133 and name CA)
       (resid 133 and name C)(resid 134 and name N) 1 -24 13 2
assign (resid 134 and name C)(resid 135 and name N)
       (resid 135 and name CA)(resid 135 and name C) 1 -77 25 2
assign (resid 135 and name N)(resid 135 and name CA)
       (resid 135 and name C)(resid 136 and name N) 1 140 21 2
assign (resid 135 and name C)(resid 136 and name N)
       (resid 136 and name CA)(resid 136 and name C) 1 -84 20 2
assign (resid 137 and name N)(resid 137 and name CA)
       (resid 137 and name C)(resid 138 and name N) 1 148 21 2
assign (resid 140 and name C)(resid 141 and name N)
       (resid 141 and name CA)(resid 141 and name C) 1 -110 20 2
assign (resid 146 and name C)(resid 147 and name N)
       (resid 147 and name CA)(resid 147 and name C) 1 -95 30 2
assign (resid 147 and name N)(resid 147 and name CA)
       (resid 147 and name C)(resid 148 and name N) 1 135 25 2
assign (resid 156 and name C)(resid 157 and name N)
       (resid 157 and name CA)(resid 157 and name C) 1 -90 30 2
assign (resid 157 and name N)(resid 157 and name CA)
       (resid 157 and name C)(resid 158 and name N) 1 130 30 2
assign (resid 161 and name C)(resid 162 and name N)
       (resid 162 and name CA)(resid 162 and name C) 1 -80 20 2
assign (resid 162 and name C)(resid 163 and name N)
       (resid 163 and name CA)(resid 163 and name C) 1 -100 30 2
assign (resid 163 and name N)(resid 163 and name CA)
       (resid 163 and name C)(resid 164 and name N) 1 0 30 2
assign (resid 172 and name C)(resid 173 and name N)
       (resid 173 and name CA)(resid 173 and name C) 1 -90 40 2
assign (resid 173 and name N)(resid 173 and name CA)
       (resid 173 and name C)(resid 174 and name N) 1 140 20 2
assign (resid 173 and name C)(resid 174 and name N)
       (resid 174 and name CA)(resid 174 and name C) 1 -110 30 2
assign (resid 174 and name N)(resid 174 and name CA)
       (resid 174 and name C)(resid 175 and name N) 1 110 40 2
assign (resid 177 and name C)(resid 178 and name N)
       (resid 178 and name CA)(resid 178 and name C) 1 -100 30 2
assign (resid 178 and name N)(resid 178 and name CA)
       (resid 178 and name C)(resid 179 and name N) 1 130 20 2
assign (resid 184 and name N)(resid 184 and name CA)
       (resid 184 and name C)(resid 185 and name N) 1 150 15 2
assign (resid 192 and name C)(resid 193 and name N)
       (resid 193 and name CA)(resid 193 and name C) 1 -115 25 2
assign (resid 194 and name C)(resid 195 and name N)
       (resid 195 and name CA)(resid 195 and name C) 1 -110 40 2
assign (resid 200 and name C)(resid 201 and name N)
       (resid 201 and name CA)(resid 201 and name C) 1 -85 25 2
assign (resid 201 and name N)(resid 201 and name CA)
       (resid 201 and name C)(resid 202 and name N) 1 130 30 2
assign (resid 201 and name C)(resid 202 and name N)
       (resid 202 and name CA)(resid 202 and name C) 1 -100 25 2
assign (resid 202 and name N)(resid 202 and name CA)
       (resid 202 and name C)(resid 203 and name N) 1 150 20 2
assign (resid 202 and name C)(resid 202 and name N)
       (resid 203 and name CA)(resid 203 and name C) 1 -80 25 2
assign (resid 203 and name N)(resid 203 and name CA)
       (resid 203 and name C)(resid 204 and name N) 1 130 25 2




!!! Residual dipolar coupling constraints

assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 21 and name N) 
       (resid 21 and name HN)  -3.9 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 55 and name N) 
       (resid 55 and name HN)   3.2 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 92 and name N) 
       (resid 92 and name HN)  -4.9 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 80 and name N) 
       (resid 80 and name HN)   4.3 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 18 and name N) 
       (resid 18 and name HN)   2.1 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 78 and name N) 
       (resid 78 and name HN)   1.8 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 95 and name N) 
       (resid 95 and name HN)   5.5 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 16 and name N) 
       (resid 16 and name HN)   6.4 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 60 and name N) 
       (resid 60 and name HN)   9.1 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 29 and name N) 
       (resid 29 and name HN)   7.5 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 46 and name N) 
       (resid 46 and name HN)  -0.7 5.000  
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 54 and name N) 
       (resid 54 and name HN)  -6.0 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 48 and name N) 
       (resid 48 and name HN)  -1.8 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 51 and name N) 
       (resid 51 and name HN)  -1.2 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 26 and name N) 
       (resid 26 and name HN)   5.4 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 72 and name N) 
       (resid 72 and name HN)  -3.0 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 17 and name N) 
       (resid 17 and name HN)   1.1 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 15 and name N) 
       (resid 15 and name HN)   8.9 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 52 and name N) 
       (resid 52 and name HN)  -8.8 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 59 and name N) 
       (resid 59 and name HN)   3.4 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 69 and name N) 
       (resid 69 and name HN)   7.9 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 79 and name N) 
       (resid 79 and name HN)  -8.6 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 81 and name N) 
       (resid 81 and name HN)   3.9 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 96 and name N) 
       (resid 96 and name HN)   5.0 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 50 and name N) 
       (resid 50 and name HN)   3.9 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 12 and name N) 
       (resid 12 and name HN)   7.0 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 71 and name N) 
       (resid 71 and name HN)   0.6 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 28 and name N) 
       (resid 28 and name HN)  11.3 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 22 and name N) 
       (resid 22 and name HN)   1.4 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 66 and name N) 
       (resid 66 and name HN)   6.6 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 13 and name N) 
       (resid 13 and name HN)   9.7 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 40 and name N) 
       (resid 40 and name HN)   7.7 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 39 and name N) 
       (resid 39 and name HN)  -1.5 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 62 and name N) 
       (resid 62 and name HN)   4.6 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 70 and name N) 
       (resid 70 and name HN)   7.6 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 43 and name N) 
       (resid 43 and name HN)   2.5 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 44 and name N) 
       (resid 44 and name HN)  -0.6 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 94 and name N) 
       (resid 94 and name HN)   4.4 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 61 and name N) 
       (resid 61 and name HN)   8.1 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 64 and name N) 
       (resid 64 and name HN)  -7.4 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 65 and name N) 
       (resid 65 and name HN)   3.4 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 74 and name N) 
       (resid 74 and name HN)   0.4 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 103 and name N) 
       (resid 103 and name HN) -11.3 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 93 and name N) 
       (resid 93 and name HN)   3.2 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 47 and name N) 
       (resid 47 and name HN)  -8.2 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 42 and name N) 
       (resid 42 and name HN)   2.9 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 82 and name N) 
       (resid 82 and name HN)   3.5 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 53 and name N) 
       (resid 53 and name HN)  -6.2 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 14 and name N) 
       (resid 14 and name HN)  12.7 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 27 and name N) 
       (resid 27 and name HN)  13.1 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 67 and name N) 
       (resid 67 and name HN)   5.1 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 101 and name N) 
       (resid 101 and name HN)  -5.7 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 102 and name N) 
       (resid 102 and name HN)  -6.5 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 104 and name N) 
       (resid 104 and name HN)  -5.2 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 107 and name N) 
       (resid 107 and name HN)   5.6 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 114 and name N) 
       (resid 114 and name HN)   7.7 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 115 and name N) 
       (resid 115 and name HN)   4.3 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 116 and name N) 
       (resid 116 and name HN)   8.7 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 117 and name N) 
       (resid 117 and name HN)   9.1 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 120 and name N) 
       (resid 120 and name HN)   7.4 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 121 and name N) 
       (resid 121 and name HN)   7.7 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 123 and name N) 
       (resid 123 and name HN)   5.4 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 125 and name N) 
       (resid 125 and name HN)   2.9 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 126 and name N) 
       (resid 126 and name HN)   4.0 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 127 and name N) 
       (resid 127 and name HN)  -5.1 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 130 and name N) 
       (resid 130 and name HN)  -5.2 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 131 and name N) 
       (resid 131 and name HN)  -4.0 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 132 and name N) 
       (resid 132 and name HN)  -2.4 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 133 and name N) 
       (resid 133 and name HN)   2.2 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 134 and name N) 
       (resid 134 and name HN)  -3.1 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 135 and name N) 
       (resid 135 and name HN)  -4.8 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 137 and name N) 
       (resid 137 and name HN)   5.5 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 140 and name N) 
       (resid 140 and name HN)   0.1 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 142 and name N) 
       (resid 142 and name HN)  -1.9 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 144 and name N) 
       (resid 144 and name HN)   0.6 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 146 and name N) 
       (resid 146 and name HN)   9.2 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 147 and name N) 
       (resid 147 and name HN)   6.9 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 148 and name N) 
       (resid 148 and name HN)  11.2 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 149 and name N) 
       (resid 149 and name HN)   2.9 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 150 and name N) 
       (resid 150 and name HN)   3.2 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 151 and name N) 
       (resid 151 and name HN)   8.6 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 153 and name N) 
       (resid 153 and name HN)   6.9 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 154 and name N) 
       (resid 154 and name HN)   8.0 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 158 and name N) 
       (resid 158 and name HN)   5.0 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 159 and name N) 
       (resid 159 and name HN)   1.3 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 161 and name N) 
       (resid 161 and name HN)   4.6 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 163 and name N) 
       (resid 163 and name HN)  -9.1 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 167 and name N) 
       (resid 167 and name HN)   5.7 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 168 and name N) 
       (resid 168 and name HN)   5.7 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 169 and name N) 
       (resid 169 and name HN)   8.8 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 173 and name N) 
       (resid 173 and name HN)   2.4 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 177 and name N) 
       (resid 177 and name HN)   5.9 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 180 and name N) 
       (resid 180 and name HN)   9.9 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 181 and name N) 
       (resid 181 and name HN)  11.2 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 184 and name N) 
       (resid 184 and name HN)  -1.2 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 186 and name N) 
       (resid 186 and name HN)  -2.4 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 190 and name N) 
       (resid 190 and name HN)   7.6 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 191 and name N) 
       (resid 191 and name HN)  -1.1 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 192 and name N) 
       (resid 192 and name HN)  -2.0 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 194 and name N) 
       (resid 194 and name HN)   3.1 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 195 and name N) 
       (resid 195 and name HN)   2.3 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 196 and name N) 
       (resid 196 and name HN)  -2.0 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 198 and name N) 
       (resid 198 and name HN)   2.8 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 200 and name N) 
       (resid 200 and name HN)   4.2 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 201 and name N) 
       (resid 201 and name HN)   4.8 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 202 and name N) 
       (resid 202 and name HN)   8.9 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 203 and name N) 
       (resid 203 and name HN)   6.8 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 206 and name N) 
       (resid 206 and name HN)   3.4 5.000 
assign (resid 500 and name OO ) 
       (resid 500 and name Z ) 
       (resid 500 and name X ) 
       (resid 500 and name Y ) 
       (resid 210 and name N) 
       (resid 210 and name HN)   3.0 5.000 


  Entry H atom name         Submitted Coord H atom name
    1   1H    SER   1          HT1       SER   1 323.872  26.627  16.243
    2   2H    SER   1          HT2       SER   1 324.813  27.337  14.997
    3   3H    SER   1          HT3       SER   1 324.126  25.781  14.774
    4    HA   SER   1           HA       SER   1 322.001  26.596  14.625
    5   1HB   SER   1          HB2       SER   1 321.377  28.832  15.264
    6   2HB   SER   1          HB1       SER   1 322.341  28.157  16.578
    7    HG   SER   1           HG       SER   1 322.803  30.348  15.097
    8    H    TYR   2           HN       TYR   2 322.666  26.022  12.485
    9    HA   TYR   2           HA       TYR   2 322.753  28.305  10.712
   10   1HB   TYR   2          HB2       TYR   2 325.069  26.440  11.053
   11   2HB   TYR   2          HB1       TYR   2 324.722  27.093   9.455
   12    HD1  TYR   2           HD1      TYR   2 326.717  27.557  12.198
   13    HD2  TYR   2           HD2      TYR   2 324.148  29.782   9.639
   14    HE1  TYR   2           HE1      TYR   2 327.924  29.617  12.787
   15    HE2  TYR   2           HE2      TYR   2 325.349  31.848  10.220
   16    HH   TYR   2           HH       TYR   2 327.476  32.561  11.085
   17    H    ASP   3           HN       ASP   3 322.629  27.599   8.393
   18    HA   ASP   3           HA       ASP   3 321.316  26.587   6.823
   19   1HB   ASP   3          HB2       ASP   3 321.907  24.292   6.370
   20   2HB   ASP   3          HB1       ASP   3 323.348  25.145   6.911
   21    H    SER   4           HN       SER   4 319.960  24.226   6.646
   22    HA   SER   4           HA       SER   4 317.634  24.782   8.202
   23   1HB   SER   4          HB2       SER   4 318.374  22.903   6.034
   24   2HB   SER   4          HB1       SER   4 317.066  22.381   7.094
   25    HG   SER   4           HG       SER   4 315.887  23.623   5.878
   26    HA   PRO   5           HA       PRO   5 317.815  22.199  11.754
   27   1HB   PRO   5          HB2       PRO   5 315.632  20.507  10.627
   28   2HB   PRO   5          HB1       PRO   5 315.744  21.295  12.205
   29   1HG   PRO   5          HG2       PRO   5 314.182  22.299  10.299
   30   2HG   PRO   5          HG1       PRO   5 315.118  23.365  11.365
   31   1HD   PRO   5          HD2       PRO   5 315.613  22.616   8.520
   32   2HD   PRO   5          HD1       PRO   5 315.917  24.153   9.354
   33    H    ASP   6           HN       ASP   6 318.841  20.367  12.450
   34    HA   ASP   6           HA       ASP   6 320.225  18.805  10.521
   35   1HB   ASP   6          HB2       ASP   6 320.120  18.969  13.479
   36   2HB   ASP   6          HB1       ASP   6 320.646  17.429  12.804
   37    H    TYR   7           HN       TYR   7 318.850  17.622   9.254
   38    HA   TYR   7           HA       TYR   7 316.684  16.093  10.277
   39   1HB   TYR   7          HB2       TYR   7 317.921  16.589   7.671
   40   2HB   TYR   7          HB1       TYR   7 317.305  14.949   7.841
   41    HD1  TYR   7           HD1      TYR   7 315.390  14.919   6.507
   42    HD2  TYR   7           HD2      TYR   7 315.949  18.112   9.263
   43    HE1  TYR   7           HE1      TYR   7 313.116  15.722   6.029
   44    HE2  TYR   7           HE2      TYR   7 313.676  18.923   8.793
   45    HH   TYR   7           HH       TYR   7 312.020  18.495   6.432
   46    H    THR   8           HN       THR   8 317.961  15.066  12.029
   47    HA   THR   8           HA       THR   8 319.730  12.910  11.208
   48    HB   THR   8           HB       THR   8 318.820  13.758  13.966
   49    HG1  THR   8           HG1      THR   8 320.168  15.245  12.690
   50   1HG2  THR   8          HG21      THR   8 321.342  12.487  14.001
   51   2HG2  THR   8          HG22      THR   8 320.213  11.428  13.156
   52   3HG2  THR   8          HG23      THR   8 319.845  11.988  14.787
   53    H    ASP   9           HN       ASP   9 317.369  12.370  10.116
   54    HA   ASP   9           HA       ASP   9 316.382  10.134  11.738
   55   1HB   ASP   9          HB2       ASP   9 314.079  10.587  11.022
   56   2HB   ASP   9          HB1       ASP   9 314.740  11.950  11.921
   57    H    GLU  10           HN       GLU  10 318.110  10.723   9.199
   58    HA   GLU  10           HA       GLU  10 317.741   8.312   7.918
   59   1HB   GLU  10          HB2       GLU  10 315.840  10.356   7.049
   60   2HB   GLU  10          HB1       GLU  10 316.778   9.689   5.720
   61   1HG   GLU  10          HG2       GLU  10 315.786   7.677   5.847
   62   2HG   GLU  10          HG1       GLU  10 315.672   7.723   7.606
   63    H    SER  11           HN       SER  11 320.031   9.181   8.480
   64    HA   SER  11           HA       SER  11 321.356  11.060   6.962
   65   1HB   SER  11          HB2       SER  11 322.092   8.978   8.753
   66   2HB   SER  11          HB1       SER  11 323.125   8.847   7.330
   67    HG   SER  11           HG       SER  11 323.755  10.979   7.633
   68    H    CYS  12           HN       CYS  12 320.244   7.959   6.105
   69    HA   CYS  12           HA       CYS  12 320.461   6.635   4.236
   70   1HB   CYS  12          HB2       CYS  12 319.633   9.353   3.530
   71   2HB   CYS  12          HB1       CYS  12 320.177   8.365   2.190
   72    H    THR  13           HN       THR  13 322.996   7.522   5.139
   73    HA   THR  13           HA       THR  13 324.518   8.031   2.687
   74    HB   THR  13           HB       THR  13 325.567   7.936   5.511
   75    HG1  THR  13           HG1      THR  13 324.606  10.116   3.986
   76   1HG2  THR  13          HG21      THR  13 327.386   7.735   4.032
   77   2HG2  THR  13          HG22      THR  13 327.340   9.425   4.537
   78   3HG2  THR  13          HG23      THR  13 326.732   8.964   2.948
   79    H    PHE  14           HN       PHE  14 325.563   6.454   1.686
   80    HA   PHE  14           HA       PHE  14 326.008   3.932   3.144
   81   1HB   PHE  14          HB2       PHE  14 325.830   3.926   0.166
   82   2HB   PHE  14          HB1       PHE  14 325.337   2.693   1.318
   83    HD1  PHE  14           HD1      PHE  14 324.426   5.913  -0.183
   84    HD2  PHE  14           HD2      PHE  14 323.075   2.605   2.156
   85    HE1  PHE  14           HE1      PHE  14 322.113   6.723  -0.348
   86    HE2  PHE  14           HE2      PHE  14 320.810   3.430   2.004
   87    HZ   PHE  14           HZ       PHE  14 320.307   5.474   0.748
   88    H    LYS  15           HN       LYS  15 327.878   2.752   2.708
   89    HA   LYS  15           HA       LYS  15 329.998   4.135   1.219
   90   1HB   LYS  15          HB2       LYS  15 330.479   4.760   3.477
   91   2HB   LYS  15          HB1       LYS  15 330.203   3.122   4.056
   92   1HG   LYS  15          HG2       LYS  15 332.245   2.350   3.280
   93   2HG   LYS  15          HG1       LYS  15 332.370   3.613   2.055
   94   1HD   LYS  15          HD2       LYS  15 332.628   4.021   5.035
   95   2HD   LYS  15          HD1       LYS  15 333.961   3.972   3.880
   96   1HE   LYS  15          HE2       LYS  15 332.692   5.883   2.691
   97   2HE   LYS  15          HE1       LYS  15 331.830   6.051   4.220
   98   1HZ   LYS  15          HZ1       LYS  15 333.627   6.907   5.237
   99   2HZ   LYS  15          HZ2       LYS  15 334.109   7.305   3.665
  100   3HZ   LYS  15          HZ3       LYS  15 334.724   5.917   4.411
  101    H    ILE  16           HN       ILE  16 331.465   2.796   0.222
  102    HA   ILE  16           HA       ILE  16 330.889  -0.078   0.485
  103    HB   ILE  16           HB       ILE  16 330.360   1.176  -1.749
  104   1HG1  ILE  16          HG12      ILE  16 331.857  -1.429  -1.824
  105   2HG1  ILE  16          HG11      ILE  16 330.250  -1.274  -1.136
  106   1HG2  ILE  16          HG21      ILE  16 333.181   0.377  -2.356
  107   2HG2  ILE  16          HG22      ILE  16 332.784   2.017  -1.843
  108   3HG2  ILE  16          HG23      ILE  16 332.076   1.358  -3.318
  109   1HD1  ILE  16          HD11      ILE  16 330.236  -2.090  -3.445
  110   2HD1  ILE  16          HD12      ILE  16 330.974  -0.571  -3.955
  111   3HD1  ILE  16          HD13      ILE  16 329.362  -0.563  -3.238
  112    H    SER  17           HN       SER  17 332.565  -1.441   0.732
  113    HA   SER  17           HA       SER  17 335.259  -0.255   0.709
  114   1HB   SER  17          HB2       SER  17 333.802  -1.313   2.956
  115   2HB   SER  17          HB1       SER  17 335.256  -2.267   2.689
  116    HG   SER  17           HG       SER  17 336.465  -0.355   2.790
  117    H    LEU  18           HN       LEU  18 336.901  -1.534  -0.061
  118    HA   LEU  18           HA       LEU  18 336.099  -4.111  -1.212
  119   1HB   LEU  18          HB2       LEU  18 337.266  -1.979  -2.426
  120   2HB   LEU  18          HB1       LEU  18 338.676  -2.926  -2.014
  121    HG   LEU  18           HG       LEU  18 338.099  -4.675  -3.466
  122   1HD1  LEU  18          HD11      LEU  18 335.435  -4.114  -2.717
  123   2HD1  LEU  18          HD12      LEU  18 336.026  -5.435  -3.719
  124   3HD1  LEU  18          HD13      LEU  18 335.514  -3.925  -4.465
  125   1HD2  LEU  18          HD21      LEU  18 337.746  -3.643  -5.586
  126   2HD2  LEU  18          HD22      LEU  18 338.713  -2.546  -4.600
  127   3HD2  LEU  18          HD23      LEU  18 336.992  -2.236  -4.839
  128    H    ARG  19           HN       ARG  19 336.506  -5.672   0.231
  129    HA   ARG  19           HA       ARG  19 339.107  -5.720   1.601
  130   1HB   ARG  19          HB2       ARG  19 337.187  -5.980   3.072
  131   2HB   ARG  19          HB1       ARG  19 336.558  -7.284   2.076
  132   1HG   ARG  19          HG2       ARG  19 339.091  -8.152   2.751
  133   2HG   ARG  19          HG1       ARG  19 338.515  -7.353   4.214
  134   1HD   ARG  19          HD2       ARG  19 336.600  -9.142   2.850
  135   2HD   ARG  19          HD1       ARG  19 337.984  -9.916   3.622
  136    HE   ARG  19           HE       ARG  19 336.630  -8.013   5.300
  137   1HH1  ARG  19          HH11      ARG  19 336.711 -11.331   4.219
  138   2HH1  ARG  19          HH12      ARG  19 335.897 -11.938   5.622
  139   1HH2  ARG  19          HH21      ARG  19 335.561  -8.809   7.145
  140   2HH2  ARG  19          HH22      ARG  19 335.243 -10.507   7.283
  141    H    ASN  20           HN       ASN  20 340.663  -6.846   0.556
  142    HA   ASN  20           HA       ASN  20 341.694  -8.405  -0.777
  143   1HB   ASN  20          HB2       ASN  20 339.440 -10.001   0.454
  144   2HB   ASN  20          HB1       ASN  20 340.563 -10.739  -0.683
  145   1HD2  ASN  20          HD21      ASN  20 340.661 -11.974   1.522
  146   2HD2  ASN  20          HD22      ASN  20 341.975 -11.507   2.542
  147    H    PHE  21           HN       PHE  21 340.204  -6.624  -2.091
  148    HA   PHE  21           HA       PHE  21 339.104  -6.073  -3.972
  149   1HB   PHE  21          HB1       PHE  21 339.519  -7.439  -6.004
  150   2HB   PHE  21          HB2       PHE  21 340.986  -7.366  -5.069
  151    HD1  PHE  21           HD1      PHE  21 338.282  -9.565  -6.267
  152    HD2  PHE  21           HD2      PHE  21 341.837  -9.416  -3.856
  153    HE1  PHE  21           HE1      PHE  21 338.357 -12.022  -6.224
  154    HE2  PHE  21           HE2      PHE  21 341.913 -11.880  -3.831
  155    HZ   PHE  21           HZ       PHE  21 340.171 -13.188  -5.010
  156    H    ARG  22           HN       ARG  22 337.526  -7.190  -1.942
  157    HA   ARG  22           HA       ARG  22 335.388  -8.472  -3.507
  158   1HB   ARG  22          HB2       ARG  22 335.796  -8.639  -0.508
  159   2HB   ARG  22          HB1       ARG  22 334.580  -9.486  -1.452
  160   1HG   ARG  22          HG2       ARG  22 336.430 -10.689  -2.618
  161   2HG   ARG  22          HG1       ARG  22 337.551  -9.944  -1.478
  162   1HD   ARG  22          HD2       ARG  22 336.901 -11.266   0.233
  163   2HD   ARG  22          HD1       ARG  22 335.215 -11.283  -0.284
  164    HE   ARG  22           HE       ARG  22 336.605 -12.779  -2.141
  165   1HH1  ARG  22          HH11      ARG  22 335.997 -12.915   1.294
  166   2HH1  ARG  22          HH12      ARG  22 336.094 -14.642   1.369
  167   1HH2  ARG  22          HH21      ARG  22 336.731 -15.051  -2.043
  168   2HH2  ARG  22          HH22      ARG  22 336.511 -15.855  -0.524
  169    H    SER  23           HN       SER  23 333.463  -7.317  -3.568
  170    HA   SER  23           HA       SER  23 333.601  -4.679  -2.383
  171   1HB   SER  23          HB2       SER  23 332.742  -5.432  -4.773
  172   2HB   SER  23          HB1       SER  23 331.221  -5.608  -3.915
  173    HG   SER  23           HG       SER  23 331.590  -3.493  -4.841
  174    H    ILE  24           HN       ILE  24 332.316  -3.894  -0.837
  175    HA   ILE  24           HA       ILE  24 330.065  -5.414   0.192
  176    HB   ILE  24           HB       ILE  24 332.294  -4.539   2.004
  177   1HG1  ILE  24          HG12      ILE  24 331.946  -7.205   2.477
  178   2HG1  ILE  24          HG11      ILE  24 331.675  -7.114   0.740
  179   1HG2  ILE  24          HG21      ILE  24 329.900  -4.317   2.843
  180   2HG2  ILE  24          HG22      ILE  24 331.011  -5.256   3.842
  181   3HG2  ILE  24          HG23      ILE  24 329.851  -6.082   2.806
  182   1HD1  ILE  24          HD11      ILE  24 333.839  -6.825   0.323
  183   2HD1  ILE  24          HD12      ILE  24 334.104  -7.331   1.991
  184   3HD1  ILE  24          HD13      ILE  24 334.011  -5.615   1.594
  185    H    LEU  25           HN       LEU  25 328.492  -3.928   0.319
  186    HA   LEU  25           HA       LEU  25 329.324  -1.181   0.873
  187   1HB   LEU  25          HB2       LEU  25 327.635  -0.368  -0.512
  188   2HB   LEU  25          HB1       LEU  25 328.432  -1.644  -1.383
  189    HG   LEU  25           HG       LEU  25 326.359  -3.013  -0.260
  190   1HD1  LEU  25          HD11      LEU  25 325.124  -1.271   0.628
  191   2HD1  LEU  25          HD12      LEU  25 324.389  -1.485  -0.961
  192   3HD1  LEU  25          HD13      LEU  25 325.535  -0.172  -0.688
  193   1HD2  LEU  25          HD21      LEU  25 325.660  -1.784  -2.822
  194   2HD2  LEU  25          HD22      LEU  25 325.912  -3.478  -2.416
  195   3HD2  LEU  25          HD23      LEU  25 327.291  -2.445  -2.784
  196    H    SER  26           HN       SER  26 328.254  -0.002   2.314
  197    HA   SER  26           HA       SER  26 326.221  -1.406   3.908
  198   1HB   SER  26          HB2       SER  26 327.422  -1.174   5.778
  199   2HB   SER  26          HB1       SER  26 328.755  -0.633   4.777
  200    HG   SER  26           HG       SER  26 328.487   1.027   6.120
  201    H    TRP  27           HN       TRP  27 325.310   0.355   5.539
  202    HA   TRP  27           HA       TRP  27 324.672   2.834   4.095
  203   1HB   TRP  27          HB2       TRP  27 322.283   2.515   4.495
  204   2HB   TRP  27          HB1       TRP  27 322.957   1.288   3.433
  205    HD1  TRP  27           HD1      TRP  27 322.273   1.524   7.261
  206    HE1  TRP  27           HE1      TRP  27 321.329  -0.737   8.005
  207    HE3  TRP  27           HE3      TRP  27 322.452  -0.877   2.807
  208    HZ2  TRP  27           HZ2      TRP  27 320.751  -3.205   6.842
  209    HZ3  TRP  27           HZ3      TRP  27 321.691  -3.221   2.688
  210    HH2  TRP  27           HH2      TRP  27 320.851  -4.365   4.681
  211    H    GLU  28           HN       GLU  28 323.682   4.431   5.362
  212    HA   GLU  28           HA       GLU  28 323.921   4.120   8.271
  213   1HB   GLU  28          HB2       GLU  28 325.711   5.507   6.673
  214   2HB   GLU  28          HB1       GLU  28 324.646   6.764   7.294
  215   1HG   GLU  28          HG2       GLU  28 326.634   6.420   8.692
  216   2HG   GLU  28          HG1       GLU  28 325.129   6.122   9.562
  217    H    LEU  29           HN       LEU  29 321.642   3.826   8.150
  218    HA   LEU  29           HA       LEU  29 320.215   6.306   7.540
  219   1HB   LEU  29          HB2       LEU  29 318.367   4.329   8.357
  220   2HB   LEU  29          HB1       LEU  29 318.573   5.018   6.766
  221    HG   LEU  29           HG       LEU  29 318.583   2.697   6.469
  222   1HD1  LEU  29          HD11      LEU  29 320.573   2.227   5.413
  223   2HD1  LEU  29          HD12      LEU  29 321.523   3.186   6.532
  224   3HD1  LEU  29          HD13      LEU  29 320.472   3.984   5.365
  225   1HD2  LEU  29          HD21      LEU  29 320.629   2.399   8.645
  226   2HD2  LEU  29          HD22      LEU  29 319.876   1.105   7.708
  227   3HD2  LEU  29          HD23      LEU  29 318.903   2.083   8.812
  228    H    LYS  30           HN       LYS  30 320.491   7.542   9.236
  229    HA   LYS  30           HA       LYS  30 320.799   6.796  11.899
  230   1HB   LYS  30          HB2       LYS  30 320.234   9.308  10.456
  231   2HB   LYS  30          HB1       LYS  30 319.772   9.292  12.153
  232   1HG   LYS  30          HG2       LYS  30 322.431   8.208  11.710
  233   2HG   LYS  30          HG1       LYS  30 322.266   9.871  11.146
  234   1HD   LYS  30          HD2       LYS  30 322.138  10.680  13.233
  235   2HD   LYS  30          HD1       LYS  30 321.036   9.404  13.753
  236   1HE   LYS  30          HE2       LYS  30 322.761   8.668  14.975
  237   2HE   LYS  30          HE1       LYS  30 323.388   8.044  13.451
  238   1HZ   LYS  30          HZ1       LYS  30 324.980   9.612  13.363
  239   2HZ   LYS  30          HZ2       LYS  30 324.748   9.685  15.037
  240   3HZ   LYS  30          HZ3       LYS  30 324.003  10.822  14.031
  241    H    ASN  31           HN       ASN  31 319.388   7.157  13.724
  242    HA   ASN  31           HA       ASN  31 316.567   6.588  13.084
  243   1HB   ASN  31          HB2       ASN  31 318.450   5.448  15.072
  244   2HB   ASN  31          HB1       ASN  31 316.800   5.707  15.626
  245   1HD2  ASN  31          HD21      ASN  31 317.868   4.844  12.382
  246   2HD2  ASN  31          HD22      ASN  31 317.087   3.304  12.341
  247    H    HIS  32           HN       HIS  32 315.084   8.006  13.773
  248    HA   HIS  32           HA       HIS  32 315.871   9.931  15.863
  249   1HB   HIS  32          HB2       HIS  32 315.360  10.598  13.284
  250   2HB   HIS  32          HB1       HIS  32 313.749  10.749  13.975
  251    HD1  HIS  32           HD1      HIS  32 316.955  11.659  15.757
  252    HD2  HIS  32           HD2      HIS  32 313.622  13.487  14.080
  253    HE1  HIS  32           HE1      HIS  32 317.116  14.081  16.412
  254    HE2  HIS  32           HE2      HIS  32 315.136  15.184  15.312
  255    H    SER  33           HN       SER  33 312.826   9.037  14.239
  256    HA   SER  33           HA       SER  33 311.550   8.891  16.875
  257   1HB   SER  33          HB2       SER  33 310.482   9.304  14.089
  258   2HB   SER  33          HB1       SER  33 309.419   8.850  15.421
  259    HG   SER  33           HG       SER  33 309.591  10.794  16.224
  260    H    ILE  34           HN       ILE  34 311.077   7.200  13.771
  261    HA   ILE  34           HA       ILE  34 310.228   4.807  15.126
  262    HB   ILE  34           HB       ILE  34 310.891   4.992  12.196
  263   1HG1  ILE  34          HG12      ILE  34 308.321   5.831  13.560
  264   2HG1  ILE  34          HG11      ILE  34 309.448   6.900  12.730
  265   1HG2  ILE  34          HG21      ILE  34 310.384   2.789  13.288
  266   2HG2  ILE  34          HG22      ILE  34 309.325   3.222  11.945
  267   3HG2  ILE  34          HG23      ILE  34 308.761   3.401  13.606
  268   1HD1  ILE  34          HD11      ILE  34 307.220   5.708  11.645
  269   2HD1  ILE  34          HD12      ILE  34 308.553   4.724  11.040
  270   3HD1  ILE  34          HD13      ILE  34 308.540   6.465  10.754
  271    H    VAL  35           HN       VAL  35 311.277   2.772  15.066
  272    HA   VAL  35           HA       VAL  35 314.187   2.967  14.647
  273    HB   VAL  35           HB       VAL  35 312.781   1.058  16.512
  274   1HG1  VAL  35          HG11      VAL  35 315.639   1.858  16.741
  275   2HG1  VAL  35          HG12      VAL  35 315.181   0.691  15.501
  276   3HG1  VAL  35          HG13      VAL  35 314.848   0.350  17.199
  277   1HG2  VAL  35          HG21      VAL  35 312.378   2.935  17.706
  278   2HG2  VAL  35          HG22      VAL  35 313.626   3.863  16.874
  279   3HG2  VAL  35          HG23      VAL  35 314.071   2.745  18.163
  280    HA   PRO  36           HA       PRO  36 312.900  -0.191  11.577
  281   1HB   PRO  36          HB2       PRO  36 314.746   0.444   9.722
  282   2HB   PRO  36          HB1       PRO  36 313.252   1.372   9.905
  283   1HG   PRO  36          HG2       PRO  36 316.001   1.988  10.921
  284   2HG   PRO  36          HG1       PRO  36 314.825   3.070  10.151
  285   1HD   PRO  36          HD2       PRO  36 315.201   2.949  12.847
  286   2HD   PRO  36          HD1       PRO  36 313.652   3.385  12.100
  287    H    THR  37           HN       THR  37 313.674  -2.224  11.618
  288    HA   THR  37           HA       THR  37 316.408  -2.611  12.616
  289    HB   THR  37           HB       THR  37 314.465  -3.561  13.910
  290    HG1  THR  37           HG1      THR  37 315.576  -5.469  14.340
  291   1HG2  THR  37          HG21      THR  37 313.153  -4.396  11.981
  292   2HG2  THR  37          HG22      THR  37 313.441  -5.599  13.238
  293   3HG2  THR  37          HG23      THR  37 314.380  -5.640  11.746
  294    H    HIS  38           HN       HIS  38 314.137  -4.113  10.301
  295    HA   HIS  38           HA       HIS  38 316.382  -5.332   8.919
  296   1HB   HIS  38          HB2       HIS  38 314.856  -6.637   7.744
  297   2HB   HIS  38          HB1       HIS  38 314.315  -6.594   9.406
  298    HD1  HIS  38           HD1      HIS  38 313.063  -3.573   8.773
  299    HD2  HIS  38           HD2      HIS  38 312.184  -7.233   7.039
  300    HE1  HIS  38           HE1      HIS  38 310.739  -3.332   7.846
  301    HE2  HIS  38           HE2      HIS  38 310.190  -5.591   6.878
  302    H    TYR  39           HN       TYR  39 316.960  -5.009   6.855
  303    HA   TYR  39           HA       TYR  39 315.801  -2.693   5.450
  304   1HB   TYR  39          HB2       TYR  39 318.760  -3.295   5.614
  305   2HB   TYR  39          HB1       TYR  39 318.008  -1.938   4.815
  306    HD1  TYR  39           HD1      TYR  39 319.354  -3.186   7.866
  307    HD2  TYR  39           HD2      TYR  39 316.768  -0.251   6.241
  308    HE1  TYR  39           HE1      TYR  39 319.604  -1.869   9.917
  309    HE2  TYR  39           HE2      TYR  39 316.985   1.088   8.282
  310    HH   TYR  39           HH       TYR  39 317.563   0.591  10.764
  311    H    THR  40           HN       THR  40 316.752  -2.603   3.108
  312    HA   THR  40           HA       THR  40 317.230  -5.264   2.056
  313    HB   THR  40           HB       THR  40 314.905  -3.538   1.384
  314    HG1  THR  40           HG1      THR  40 313.843  -5.488   1.440
  315   1HG2  THR  40          HG21      THR  40 316.133  -5.477  -0.554
  316   2HG2  THR  40          HG22      THR  40 315.985  -3.732  -0.771
  317   3HG2  THR  40          HG23      THR  40 314.538  -4.741  -0.712
  318    H    LEU  41           HN       LEU  41 319.154  -4.984   1.249
  319    HA   LEU  41           HA       LEU  41 320.040  -2.521   0.091
  320   1HB   LEU  41          HB2       LEU  41 321.397  -4.401   1.306
  321   2HB   LEU  41          HB1       LEU  41 321.444  -5.140  -0.281
  322    HG   LEU  41           HG       LEU  41 323.474  -3.847   0.202
  323   1HD1  LEU  41          HD11      LEU  41 323.699  -3.112  -1.929
  324   2HD1  LEU  41          HD12      LEU  41 322.161  -2.249  -1.914
  325   3HD1  LEU  41          HD13      LEU  41 322.187  -4.000  -2.122
  326   1HD2  LEU  41          HD21      LEU  41 323.363  -1.891   1.236
  327   2HD2  LEU  41          HD22      LEU  41 321.605  -1.928   1.151
  328   3HD2  LEU  41          HD23      LEU  41 322.533  -1.202  -0.159
  329    H    LEU  42           HN       LEU  42 319.165  -1.897  -1.833
  330    HA   LEU  42           HA       LEU  42 318.961  -4.021  -3.897
  331   1HB   LEU  42          HB2       LEU  42 317.661  -1.365  -4.284
  332   2HB   LEU  42          HB1       LEU  42 317.204  -2.937  -4.899
  333    HG   LEU  42           HG       LEU  42 316.981  -2.641  -1.982
  334   1HD1  LEU  42          HD11      LEU  42 315.987  -0.616  -2.150
  335   2HD1  LEU  42          HD12      LEU  42 314.602  -1.590  -2.640
  336   3HD1  LEU  42          HD13      LEU  42 315.615  -0.820  -3.862
  337   1HD2  LEU  42          HD21      LEU  42 316.149  -4.637  -2.744
  338   2HD2  LEU  42          HD22      LEU  42 315.563  -3.937  -4.254
  339   3HD2  LEU  42          HD23      LEU  42 314.684  -3.652  -2.750
  340    H    TYR  43           HN       TYR  43 320.118  -3.824  -5.788
  341    HA   TYR  43           HA       TYR  43 321.657  -1.326  -6.164
  342   1HB   TYR  43          HB2       TYR  43 323.705  -2.394  -6.281
  343   2HB   TYR  43          HB1       TYR  43 322.906  -3.139  -4.902
  344    HD1  TYR  43           HD1      TYR  43 323.820  -3.570  -8.429
  345    HD2  TYR  43           HD2      TYR  43 322.437  -5.497  -4.915
  346    HE1  TYR  43           HE1      TYR  43 324.187  -5.732  -9.497
  347    HE2  TYR  43           HE2      TYR  43 322.799  -7.697  -5.975
  348    HH   TYR  43           HH       TYR  43 322.992  -8.667  -8.178
  349    H    THR  44           HN       THR  44 322.608  -1.020  -8.252
  350    HA   THR  44           HA       THR  44 322.158  -2.847 -10.401
  351    HB   THR  44           HB       THR  44 319.942  -1.810 -10.334
  352    HG1  THR  44           HG1      THR  44 319.874  -1.553 -12.438
  353   1HG2  THR  44          HG21      THR  44 319.478   0.382 -10.286
  354   2HG2  THR  44          HG22      THR  44 320.896   0.811 -11.237
  355   3HG2  THR  44          HG23      THR  44 321.059   0.478  -9.513
  356    H    ILE  45           HN       ILE  45 322.589  -1.323 -12.568
  357    HA   ILE  45           HA       ILE  45 325.113   0.118 -11.972
  358    HB   ILE  45           HB       ILE  45 325.352  -0.624 -14.610
  359   1HG1  ILE  45          HG12      ILE  45 324.286  -3.007 -13.073
  360   2HG1  ILE  45          HG11      ILE  45 323.409  -2.163 -14.345
  361   1HG2  ILE  45          HG21      ILE  45 326.992  -0.613 -12.665
  362   2HG2  ILE  45          HG22      ILE  45 327.191  -1.892 -13.867
  363   3HG2  ILE  45          HG23      ILE  45 326.423  -2.250 -12.319
  364   1HD1  ILE  45          HD11      ILE  45 325.243  -4.293 -14.585
  365   2HD1  ILE  45          HD12      ILE  45 325.964  -2.877 -15.351
  366   3HD1  ILE  45          HD13      ILE  45 324.373  -3.442 -15.862
  367    H    MET  46           HN       MET  46 325.223   2.125 -12.572
  368    HA   MET  46           HA       MET  46 323.284   3.788 -13.271
  369   1HB   MET  46          HB2       MET  46 325.130   5.138 -14.565
  370   2HB   MET  46          HB1       MET  46 325.240   4.893 -12.830
  371   1HG   MET  46          HG2       MET  46 326.983   3.460 -12.999
  372   2HG   MET  46          HG1       MET  46 326.514   2.889 -14.596
  373   1HE   MET  46          HE1       MET  46 327.036   6.140 -12.866
  374   2HE   MET  46          HE2       MET  46 326.856   7.023 -14.383
  375   3HE   MET  46          HE3       MET  46 328.442   6.891 -13.621
  376    H    SER  47           HN       SER  47 325.150   2.012 -15.763
  377    HA   SER  47           HA       SER  47 323.906   3.235 -17.965
  378   1HB   SER  47          HB2       SER  47 325.994   1.765 -17.964
  379   2HB   SER  47          HB1       SER  47 324.898   0.383 -17.935
  380    HG   SER  47           HG       SER  47 325.613   1.121 -20.067
  381    H    LYS  48           HN       LYS  48 322.910   0.642 -15.880
  382    HA   LYS  48           HA       LYS  48 320.333   0.531 -17.285
  383   1HB   LYS  48          HB2       LYS  48 321.842  -1.851 -16.186
  384   2HB   LYS  48          HB1       LYS  48 320.210  -1.900 -16.834
  385   1HG   LYS  48          HG2       LYS  48 320.912  -1.663 -19.003
  386   2HG   LYS  48          HG1       LYS  48 322.403  -0.837 -18.544
  387   1HD   LYS  48          HD2       LYS  48 323.446  -2.843 -17.907
  388   2HD   LYS  48          HD1       LYS  48 321.916  -3.720 -17.856
  389   1HE   LYS  48          HE2       LYS  48 321.723  -3.630 -20.250
  390   2HE   LYS  48          HE1       LYS  48 323.139  -2.585 -20.366
  391   1HZ   LYS  48          HZ1       LYS  48 323.045  -5.444 -19.602
  392   2HZ   LYS  48          HZ2       LYS  48 324.403  -4.477 -19.318
  393   3HZ   LYS  48          HZ3       LYS  48 323.867  -4.737 -20.901
  394    HA   PRO  49           HA       PRO  49 319.824   1.380 -12.762
  395   1HB   PRO  49          HB2       PRO  49 318.033   3.388 -13.023
  396   2HB   PRO  49          HB1       PRO  49 319.779   3.653 -13.109
  397   1HG   PRO  49          HG2       PRO  49 317.794   3.377 -15.334
  398   2HG   PRO  49          HG1       PRO  49 319.130   4.530 -15.165
  399   1HD   PRO  49          HD2       PRO  49 319.300   2.299 -16.704
  400   2HD   PRO  49          HD1       PRO  49 320.700   3.004 -15.879
  401    H    GLU  50           HN       GLU  50 317.928   0.317 -15.262
  402    HA   GLU  50           HA       GLU  50 315.500  -0.031 -13.708
  403   1HB   GLU  50          HB2       GLU  50 316.191   0.051 -16.491
  404   2HB   GLU  50          HB1       GLU  50 315.334  -1.444 -16.148
  405   1HG   GLU  50          HG2       GLU  50 313.622   0.050 -14.953
  406   2HG   GLU  50          HG1       GLU  50 314.393   1.378 -15.820
  407    H    ASP  51           HN       ASP  51 318.371  -1.625 -13.865
  408    HA   ASP  51           HA       ASP  51 317.132  -4.266 -13.509
  409   1HB   ASP  51          HB2       ASP  51 318.984  -3.734 -15.318
  410   2HB   ASP  51          HB1       ASP  51 320.071  -3.927 -13.948
  411    H    LEU  52           HN       LEU  52 316.805  -2.868 -11.307
  412    HA   LEU  52           HA       LEU  52 319.085  -3.148  -9.537
  413   1HB   LEU  52          HB2       LEU  52 316.658  -1.618  -9.557
  414   2HB   LEU  52          HB1       LEU  52 316.771  -2.508  -8.051
  415    HG   LEU  52           HG       LEU  52 319.245  -1.114  -8.834
  416   1HD1  LEU  52          HD11      LEU  52 316.825   0.472  -7.987
  417   2HD1  LEU  52          HD12      LEU  52 317.549   0.500  -9.595
  418   3HD1  LEU  52          HD13      LEU  52 318.464   1.086  -8.205
  419   1HD2  LEU  52          HD21      LEU  52 317.805  -0.762  -6.255
  420   2HD2  LEU  52          HD22      LEU  52 319.534  -0.907  -6.574
  421   3HD2  LEU  52          HD23      LEU  52 318.502  -2.337  -6.627
  422    H    LYS  53           HN       LYS  53 319.218  -4.540  -7.762
  423    HA   LYS  53           HA       LYS  53 317.166  -6.647  -7.658
  424   1HB   LYS  53          HB2       LYS  53 319.662  -7.056  -8.723
  425   2HB   LYS  53          HB1       LYS  53 319.899  -7.537  -7.052
  426   1HG   LYS  53          HG2       LYS  53 318.751  -9.417  -7.296
  427   2HG   LYS  53          HG1       LYS  53 317.461  -8.626  -8.208
  428   1HD   LYS  53          HD2       LYS  53 318.771  -8.741 -10.237
  429   2HD   LYS  53          HD1       LYS  53 320.145  -9.401  -9.349
  430   1HE   LYS  53          HE2       LYS  53 318.791 -11.372  -8.766
  431   2HE   LYS  53          HE1       LYS  53 317.454 -10.716  -9.709
  432   1HZ   LYS  53          HZ1       LYS  53 318.477 -11.190 -11.664
  433   2HZ   LYS  53          HZ2       LYS  53 319.157 -12.422 -10.726
  434   3HZ   LYS  53          HZ3       LYS  53 320.040 -11.015 -11.041
  435    H    VAL  54           HN       VAL  54 316.536  -7.298  -5.738
  436    HA   VAL  54           HA       VAL  54 317.717  -6.060  -3.391
  437    HB   VAL  54           HB       VAL  54 315.770  -6.510  -2.282
  438   1HG1  VAL  54          HG11      VAL  54 315.312  -5.790  -4.852
  439   2HG1  VAL  54          HG12      VAL  54 314.069  -5.877  -3.602
  440   3HG1  VAL  54          HG13      VAL  54 314.294  -7.224  -4.717
  441   1HG2  VAL  54          HG21      VAL  54 314.382  -8.537  -2.568
  442   2HG2  VAL  54          HG22      VAL  54 316.049  -8.902  -2.127
  443   3HG2  VAL  54          HG23      VAL  54 315.511  -9.107  -3.796
  444    H    VAL  55           HN       VAL  55 319.708  -6.993  -3.213
  445    HA   VAL  55           HA       VAL  55 320.403  -9.555  -3.904
  446    HB   VAL  55           HB       VAL  55 321.680  -8.003  -1.654
  447   1HG1  VAL  55          HG11      VAL  55 323.504  -9.357  -1.864
  448   2HG1  VAL  55          HG12      VAL  55 323.193  -9.697  -3.566
  449   3HG1  VAL  55          HG13      VAL  55 322.248 -10.509  -2.318
  450   1HG2  VAL  55          HG21      VAL  55 323.156  -7.550  -3.930
  451   2HG2  VAL  55          HG22      VAL  55 322.022  -6.419  -3.192
  452   3HG2  VAL  55          HG23      VAL  55 321.491  -7.462  -4.514
  453    H    LYS  56           HN       LYS  56 320.415 -11.522  -2.987
  454    HA   LYS  56           HA       LYS  56 318.591 -12.148  -0.948
  455   1HB   LYS  56          HB2       LYS  56 320.778 -13.655  -2.338
  456   2HB   LYS  56          HB1       LYS  56 319.986 -14.370  -0.941
  457   1HG   LYS  56          HG2       LYS  56 317.865 -14.332  -2.033
  458   2HG   LYS  56          HG1       LYS  56 318.515 -13.384  -3.373
  459   1HD   LYS  56          HD2       LYS  56 318.575 -15.472  -4.307
  460   2HD   LYS  56          HD1       LYS  56 320.172 -15.433  -3.557
  461   1HE   LYS  56          HE2       LYS  56 319.478 -16.772  -1.756
  462   2HE   LYS  56          HE1       LYS  56 317.771 -16.517  -2.117
  463   1HZ   LYS  56          HZ1       LYS  56 318.978 -18.723  -2.785
  464   2HZ   LYS  56          HZ2       LYS  56 319.441 -17.822  -4.140
  465   3HZ   LYS  56          HZ3       LYS  56 317.800 -18.043  -3.792
  466    H    ASN  57           HN       ASN  57 318.797 -12.430   1.211
  467    HA   ASN  57           HA       ASN  57 319.747 -12.558   3.291
  468   1HB   ASN  57          HB2       ASN  57 321.682 -13.727   2.029
  469   2HB   ASN  57          HB1       ASN  57 322.495 -12.168   2.134
  470   1HD2  ASN  57          HD21      ASN  57 324.101 -13.182   3.408
  471   2HD2  ASN  57          HD22      ASN  57 323.828 -13.504   5.084
  472    H    CYS  58           HN       CYS  58 320.029 -10.029   1.095
  473    HA   CYS  58           HA       CYS  58 320.828  -8.177   3.230
  474   1HB   CYS  58          HB2       CYS  58 321.115  -7.889   0.237
  475   2HB   CYS  58          HB1       CYS  58 321.427  -6.590   1.384
  476    H    ALA  59           HN       ALA  59 318.160  -9.358   1.818
  477    HA   ALA  59           HA       ALA  59 316.655  -6.844   1.622
  478   1HB   ALA  59          HB1       ALA  59 316.311  -9.567   0.636
  479   2HB   ALA  59          HB2       ALA  59 315.579  -8.065   0.071
  480   3HB   ALA  59          HB3       ALA  59 314.857  -8.945   1.421
  481    H    ASN  60           HN       ASN  60 314.759  -6.557   3.087
  482    HA   ASN  60           HA       ASN  60 314.537  -6.304   5.527
  483   1HB   ASN  60          HB2       ASN  60 313.104  -8.580   5.950
  484   2HB   ASN  60          HB1       ASN  60 312.451  -7.170   5.125
  485   1HD2  ASN  60          HD21      ASN  60 313.150 -10.457   4.919
  486   2HD2  ASN  60          HD22      ASN  60 312.807 -10.682   3.241
  487    H    THR  61           HN       THR  61 316.752  -6.545   5.952
  488    HA   THR  61           HA       THR  61 317.423  -9.020   7.361
  489    HB   THR  61           HB       THR  61 318.857  -8.810   5.404
  490    HG1  THR  61           HG1      THR  61 319.957  -9.441   7.252
  491   1HG2  THR  61          HG21      THR  61 318.603  -6.023   5.796
  492   2HG2  THR  61          HG22      THR  61 319.461  -6.876   4.511
  493   3HG2  THR  61          HG23      THR  61 320.310  -6.427   5.988
  494    H    THR  62           HN       THR  62 317.900  -8.685   9.479
  495    HA   THR  62           HA       THR  62 317.872  -5.884  10.282
  496    HB   THR  62           HB       THR  62 316.831  -6.453  12.085
  497    HG1  THR  62           HG1      THR  62 317.917  -7.383  13.612
  498   1HG2  THR  62          HG21      THR  62 315.653  -7.981  10.598
  499   2HG2  THR  62          HG22      THR  62 315.682  -8.574  12.260
  500   3HG2  THR  62          HG23      THR  62 316.766  -9.271  11.057
  501    H    ARG  63           HN       ARG  63 319.746  -5.973   9.125
  502    HA   ARG  63           HA       ARG  63 322.132  -5.977  10.793
  503   1HB   ARG  63          HB2       ARG  63 321.640  -7.639   8.360
  504   2HB   ARG  63          HB1       ARG  63 323.214  -6.857   8.485
  505   1HG   ARG  63          HG2       ARG  63 323.188  -7.915  10.893
  506   2HG   ARG  63          HG1       ARG  63 322.035  -9.022  10.146
  507   1HD   ARG  63          HD2       ARG  63 323.605  -9.802   8.603
  508   2HD   ARG  63          HD1       ARG  63 324.669  -8.417   8.848
  509    HE   ARG  63           HE       ARG  63 324.657  -9.613  11.270
  510   1HH1  ARG  63          HH11      ARG  63 325.248 -10.791   8.039
  511   2HH1  ARG  63          HH12      ARG  63 326.340 -12.031   8.556
  512   1HH2  ARG  63          HH21      ARG  63 326.092 -11.242  11.954
  513   2HH2  ARG  63          HH22      ARG  63 326.820 -12.288  10.780
  514    H    SER  64           HN       SER  64 323.934  -4.741   9.267
  515    HA   SER  64           HA       SER  64 322.383  -2.755   7.773
  516   1HB   SER  64          HB2       SER  64 323.726  -0.982   8.530
  517   2HB   SER  64          HB1       SER  64 323.313  -1.926   9.948
  518    HG   SER  64           HG       SER  64 325.683  -1.236   9.306
  519    H    PHE  65           HN       PHE  65 325.861  -3.508   8.082
  520    HA   PHE  65           HA       PHE  65 326.394  -2.813   5.401
  521   1HB   PHE  65          HB2       PHE  65 328.623  -3.945   5.862
  522   2HB   PHE  65          HB1       PHE  65 328.185  -2.605   6.913
  523    HD1  PHE  65           HD1      PHE  65 327.798  -2.934   9.243
  524    HD2  PHE  65           HD2      PHE  65 328.534  -6.255   6.686
  525    HE1  PHE  65           HE1      PHE  65 328.137  -4.371  11.212
  526    HE2  PHE  65           HE2      PHE  65 328.871  -7.698   8.650
  527    HZ   PHE  65           HZ       PHE  65 328.673  -6.756  10.916
  528    H    CYS  66           HN       CYS  66 325.797  -3.853   3.680
  529    HA   CYS  66           HA       CYS  66 325.555  -6.777   3.692
  530   1HB   CYS  66          HB2       CYS  66 323.595  -5.739   2.828
  531   2HB   CYS  66          HB1       CYS  66 324.526  -4.610   1.854
  532    H    ASP  67           HN       ASP  67 326.696  -8.068   2.190
  533    HA   ASP  67           HA       ASP  67 329.112  -6.765   1.148
  534   1HB   ASP  67          HB2       ASP  67 330.122  -8.971   1.114
  535   2HB   ASP  67          HB1       ASP  67 329.440  -8.641   2.702
  536    H    LEU  68           HN       LEU  68 330.054  -7.818  -0.835
  537    HA   LEU  68           HA       LEU  68 328.386  -9.029  -2.784
  538   1HB   LEU  68          HB2       LEU  68 328.454  -6.999  -4.344
  539   2HB   LEU  68          HB1       LEU  68 327.266  -6.988  -3.051
  540    HG   LEU  68           HG       LEU  68 329.898  -5.706  -2.539
  541   1HD1  LEU  68          HD11      LEU  68 327.744  -4.522  -4.259
  542   2HD1  LEU  68          HD12      LEU  68 329.444  -4.762  -4.660
  543   3HD1  LEU  68          HD13      LEU  68 328.985  -3.570  -3.448
  544   1HD2  LEU  68          HD21      LEU  68 328.682  -5.493  -0.662
  545   2HD2  LEU  68          HD22      LEU  68 327.141  -5.591  -1.516
  546   3HD2  LEU  68          HD23      LEU  68 328.056  -4.083  -1.515
  547    H    THR  69           HN       THR  69 330.293 -10.352  -2.979
  548    HA   THR  69           HA       THR  69 332.738  -9.023  -3.792
  549    HB   THR  69           HB       THR  69 332.263 -12.008  -3.721
  550    HG1  THR  69           HG1      THR  69 332.748 -10.212  -1.608
  551   1HG2  THR  69          HG21      THR  69 334.650 -10.271  -3.828
  552   2HG2  THR  69          HG22      THR  69 334.363 -11.859  -4.538
  553   3HG2  THR  69          HG23      THR  69 334.738 -11.715  -2.820
  554    H    ASP  70           HN       ASP  70 330.462 -11.361  -5.214
  555    HA   ASP  70           HA       ASP  70 331.582 -10.708  -7.856
  556   1HB   ASP  70          HB2       ASP  70 330.478 -13.195  -6.677
  557   2HB   ASP  70          HB1       ASP  70 330.085 -12.889  -8.367
  558    H    GLU  71           HN       GLU  71 329.301  -9.509  -6.053
  559    HA   GLU  71           HA       GLU  71 327.069  -9.714  -7.911
  560   1HB   GLU  71          HB2       GLU  71 327.426  -8.815  -5.115
  561   2HB   GLU  71          HB1       GLU  71 326.203  -7.963  -6.047
  562   1HG   GLU  71          HG2       GLU  71 325.281  -9.842  -4.776
  563   2HG   GLU  71          HG1       GLU  71 325.056 -10.029  -6.515
  564    H    TRP  72           HN       TRP  72 329.694  -7.590  -7.210
  565    HA   TRP  72           HA       TRP  72 328.486  -5.547  -8.945
  566   1HB   TRP  72          HB2       TRP  72 330.132  -5.243  -6.465
  567   2HB   TRP  72          HB1       TRP  72 330.171  -3.997  -7.706
  568    HD1  TRP  72           HD1      TRP  72 326.889  -5.817  -6.894
  569    HE1  TRP  72           HE1      TRP  72 325.251  -4.125  -5.841
  570    HE3  TRP  72           HE3      TRP  72 330.044  -1.830  -6.357
  571    HZ2  TRP  72           HZ2      TRP  72 325.303  -1.509  -4.905
  572    HZ3  TRP  72           HZ3      TRP  72 329.156   0.235  -5.364
  573    HH2  TRP  72           HH2      TRP  72 326.809   0.389  -4.650
  574    H    ARG  73           HN       ARG  73 329.706  -7.582 -10.160
  575    HA   ARG  73           HA       ARG  73 332.506  -7.332 -10.509
  576   1HB   ARG  73          HB2       ARG  73 330.616  -8.511 -12.533
  577   2HB   ARG  73          HB1       ARG  73 332.292  -8.945 -12.228
  578   1HG   ARG  73          HG2       ARG  73 331.280  -9.512  -9.828
  579   2HG   ARG  73          HG1       ARG  73 329.831  -9.753 -10.806
  580   1HD   ARG  73          HD2       ARG  73 332.501 -11.115 -11.107
  581   2HD   ARG  73          HD1       ARG  73 330.968 -11.849 -10.637
  582    HE   ARG  73           HE       ARG  73 330.916 -10.609 -13.232
  583   1HH1  ARG  73          HH11      ARG  73 331.655 -13.527 -11.466
  584   2HH1  ARG  73          HH12      ARG  73 331.450 -14.560 -12.840
  585   1HH2  ARG  73          HH21      ARG  73 330.647 -11.967 -15.041
  586   2HH2  ARG  73          HH22      ARG  73 330.878 -13.675 -14.870
  587    H    SER  74           HN       SER  74 330.026  -5.354 -11.550
  588    HA   SER  74           HA       SER  74 331.187  -4.564 -14.073
  589   1HB   SER  74          HB2       SER  74 329.299  -2.678 -12.815
  590   2HB   SER  74          HB1       SER  74 329.277  -3.391 -14.426
  591    HG   SER  74           HG       SER  74 327.712  -4.545 -13.623
  592    H    THR  75           HN       THR  75 333.262  -4.399 -12.551
  593    HA   THR  75           HA       THR  75 333.716  -2.183 -10.949
  594    HB   THR  75           HB       THR  75 336.115  -2.499 -11.486
  595    HG1  THR  75           HG1      THR  75 335.198  -4.475 -13.298
  596   1HG2  THR  75          HG21      THR  75 336.164  -5.057 -11.049
  597   2HG2  THR  75          HG22      THR  75 334.427  -4.859 -10.820
  598   3HG2  THR  75          HG23      THR  75 335.558  -3.959  -9.809
  599    H    HIS  76           HN       HIS  76 333.435  -2.403 -14.388
  600    HA   HIS  76           HA       HIS  76 334.582   0.247 -14.790
  601   1HB   HIS  76          HB2       HIS  76 333.855  -2.036 -16.535
  602   2HB   HIS  76          HB1       HIS  76 333.669  -0.432 -17.236
  603    HD1  HIS  76           HD1      HIS  76 336.168  -2.987 -16.469
  604    HD2  HIS  76           HD2      HIS  76 336.147   1.088 -17.282
  605    HE1  HIS  76           HE1      HIS  76 338.544  -2.406 -17.052
  606    HE2  HIS  76           HE2      HIS  76 338.487   0.045 -17.632
  607    H    GLU  77           HN       GLU  77 332.079  -0.184 -13.268
  608    HA   GLU  77           HA       GLU  77 330.446   1.735 -14.718
  609   1HB   GLU  77          HB2       GLU  77 329.489  -0.947 -13.714
  610   2HB   GLU  77          HB1       GLU  77 328.374   0.392 -13.953
  611   1HG   GLU  77          HG2       GLU  77 330.022  -1.050 -16.014
  612   2HG   GLU  77          HG1       GLU  77 328.266  -0.975 -15.878
  613    H    ALA  78           HN       ALA  78 328.714   2.580 -13.339
  614    HA   ALA  78           HA       ALA  78 329.727   2.942 -10.627
  615   1HB   ALA  78          HB1       ALA  78 328.920   5.073 -10.667
  616   2HB   ALA  78          HB2       ALA  78 327.515   4.634 -11.642
  617   3HB   ALA  78          HB3       ALA  78 329.093   4.837 -12.407
  618    H    TYR  79           HN       TYR  79 328.923   1.164  -9.584
  619    HA   TYR  79           HA       TYR  79 326.425   0.043 -10.037
  620   1HB   TYR  79          HB2       TYR  79 328.547  -0.309  -8.062
  621   2HB   TYR  79          HB1       TYR  79 326.938  -0.576  -7.401
  622    HD1  TYR  79           HD1      TYR  79 329.339  -1.700  -9.947
  623    HD2  TYR  79           HD2      TYR  79 325.621  -2.462  -8.051
  624    HE1  TYR  79           HE1      TYR  79 329.257  -3.899 -10.990
  625    HE2  TYR  79           HE2      TYR  79 325.542  -4.638  -9.059
  626    HH   TYR  79           HH       TYR  79 326.516  -5.728 -11.211
  627    H    VAL  80           HN       VAL  80 324.861   1.622 -10.138
  628    HA   VAL  80           HA       VAL  80 324.333   3.400  -7.976
  629    HB   VAL  80           HB       VAL  80 321.923   3.268  -9.095
  630   1HG1  VAL  80          HG11      VAL  80 322.540   5.121 -10.496
  631   2HG1  VAL  80          HG12      VAL  80 324.229   4.606 -10.512
  632   3HG1  VAL  80          HG13      VAL  80 323.500   5.208  -9.019
  633   1HG2  VAL  80          HG21      VAL  80 322.856   1.341 -10.556
  634   2HG2  VAL  80          HG22      VAL  80 323.575   2.646 -11.491
  635   3HG2  VAL  80          HG23      VAL  80 321.828   2.572 -11.291
  636    H    THR  81           HN       THR  81 323.392   2.939  -6.105
  637    HA   THR  81           HA       THR  81 321.953   0.368  -5.887
  638    HB   THR  81           HB       THR  81 323.149   1.313  -3.428
  639    HG1  THR  81           HG1      THR  81 324.875   0.614  -5.549
  640   1HG2  THR  81          HG21      THR  81 323.414  -1.226  -4.961
  641   2HG2  THR  81          HG22      THR  81 322.386  -0.930  -3.562
  642   3HG2  THR  81          HG23      THR  81 324.137  -0.923  -3.385
  643    H    VAL  82           HN       VAL  82 320.052   0.339  -4.803
  644    HA   VAL  82           HA       VAL  82 319.120   2.836  -3.549
  645    HB   VAL  82           HB       VAL  82 317.481   0.768  -5.031
  646   1HG1  VAL  82          HG11      VAL  82 316.634   3.158  -3.394
  647   2HG1  VAL  82          HG12      VAL  82 316.145   1.473  -3.197
  648   3HG1  VAL  82          HG13      VAL  82 315.582   2.400  -4.589
  649   1HG2  VAL  82          HG21      VAL  82 317.277   3.574  -5.838
  650   2HG2  VAL  82          HG22      VAL  82 317.452   2.120  -6.821
  651   3HG2  VAL  82          HG23      VAL  82 318.873   2.868  -6.093
  652    H    LEU  83           HN       LEU  83 319.518   2.311  -1.399
  653    HA   LEU  83           HA       LEU  83 318.716  -0.358  -0.539
  654   1HB   LEU  83          HB2       LEU  83 320.683   0.062   0.557
  655   2HB   LEU  83          HB1       LEU  83 320.383   1.789   0.670
  656    HG   LEU  83           HG       LEU  83 318.496   1.012   2.286
  657   1HD1  LEU  83          HD11      LEU  83 318.471  -1.218   2.483
  658   2HD1  LEU  83          HD12      LEU  83 319.687  -0.863   3.716
  659   3HD1  LEU  83          HD13      LEU  83 320.186  -1.368   2.097
  660   1HD2  LEU  83          HD21      LEU  83 320.454   0.874   4.080
  661   2HD2  LEU  83          HD22      LEU  83 319.838   2.377   3.390
  662   3HD2  LEU  83          HD23      LEU  83 321.291   1.628   2.722
  663    H    GLU  84           HN       GLU  84 316.657  -0.622  -0.194
  664    HA   GLU  84           HA       GLU  84 315.055   1.576   0.890
  665   1HB   GLU  84          HB2       GLU  84 314.550  -0.772  -0.795
  666   2HB   GLU  84          HB1       GLU  84 313.289  -0.411   0.340
  667   1HG   GLU  84          HG2       GLU  84 312.842   1.644  -0.623
  668   2HG   GLU  84          HG1       GLU  84 314.400   1.689  -1.450
  669    H    GLY  85           HN       GLY  85 314.857   1.622   3.023
  670   1HA   GLY  85          HA2       GLY  85 314.865  -0.943   4.478
  671   2HA   GLY  85          HA1       GLY  85 315.384   0.581   5.151
  672    H    PHE  86           HN       PHE  86 313.090  -1.599   5.375
  673    HA   PHE  86           HA       PHE  86 310.844   0.263   5.742
  674   1HB   PHE  86          HB2       PHE  86 310.656  -2.725   6.037
  675   2HB   PHE  86          HB1       PHE  86 309.417  -1.585   5.530
  676    HD1  PHE  86           HD1      PHE  86 312.552  -3.236   4.457
  677    HD2  PHE  86           HD2      PHE  86 309.055  -1.125   3.250
  678    HE1  PHE  86           HE1      PHE  86 313.081  -3.715   2.103
  679    HE2  PHE  86           HE2      PHE  86 309.577  -1.616   0.894
  680    HZ   PHE  86           HZ       PHE  86 311.596  -2.904   0.318
  681    H    SER  87           HN       SER  87 310.213   0.836   7.763
  682    HA   SER  87           HA       SER  87 311.849  -0.049   9.947
  683   1HB   SER  87          HB2       SER  87 310.680   2.300   9.490
  684   2HB   SER  87          HB1       SER  87 309.381   1.566  10.430
  685    HG   SER  87           HG       SER  87 311.452   2.741  11.398
  686    H    GLY  88           HN       GLY  88 311.429  -2.160  10.492
  687   1HA   GLY  88          HA2       GLY  88 310.306  -3.830  11.642
  688   2HA   GLY  88          HA1       GLY  88 308.947  -2.731  11.837
  689    H    ASN  89           HN       ASN  89 307.322  -2.669  10.271
  690    HA   ASN  89           HA       ASN  89 307.447  -4.812   8.249
  691   1HB   ASN  89          HB2       ASN  89 305.271  -4.063  10.160
  692   2HB   ASN  89          HB1       ASN  89 304.836  -4.733   8.591
  693   1HD2  ASN  89          HD21      ASN  89 304.115  -6.086  10.788
  694   2HD2  ASN  89          HD22      ASN  89 305.066  -7.516  10.970
  695    H    THR  90           HN       THR  90 307.246  -1.527   8.732
  696    HA   THR  90           HA       THR  90 305.734  -1.046   6.251
  697    HB   THR  90           HB       THR  90 306.222   0.558   8.731
  698    HG1  THR  90           HG1      THR  90 303.928   0.008   7.153
  699   1HG2  THR  90          HG21      THR  90 305.352   2.562   7.707
  700   2HG2  THR  90          HG22      THR  90 305.288   1.761   6.137
  701   3HG2  THR  90          HG23      THR  90 306.848   2.065   6.908
  702    H    THR  91           HN       THR  91 306.540   0.460   4.711
  703    HA   THR  91           HA       THR  91 309.438   0.557   4.579
  704    HB   THR  91           HB       THR  91 307.919   2.217   2.710
  705    HG1  THR  91           HG1      THR  91 306.990   0.534   1.600
  706   1HG2  THR  91          HG21      THR  91 309.315   0.277   1.305
  707   2HG2  THR  91          HG22      THR  91 310.327   0.689   2.689
  708   3HG2  THR  91          HG23      THR  91 309.784   1.952   1.586
  709    H    LEU  92           HN       LEU  92 310.580   2.040   5.302
  710    HA   LEU  92           HA       LEU  92 309.370   4.544   6.217
  711   1HB   LEU  92          HB2       LEU  92 310.147   3.513   8.094
  712   2HB   LEU  92          HB1       LEU  92 311.451   2.710   7.239
  713    HG   LEU  92           HG       LEU  92 312.434   5.173   7.117
  714   1HD1  LEU  92          HD11      LEU  92 310.636   6.393   8.036
  715   2HD1  LEU  92          HD12      LEU  92 311.883   6.343   9.281
  716   3HD1  LEU  92          HD13      LEU  92 310.480   5.281   9.396
  717   1HD2  LEU  92          HD21      LEU  92 313.273   4.681   9.586
  718   2HD2  LEU  92          HD22      LEU  92 313.810   3.725   8.205
  719   3HD2  LEU  92          HD23      LEU  92 312.527   3.118   9.253
  720    H    PHE  93           HN       PHE  93 311.718   3.220   4.063
  721    HA   PHE  93           HA       PHE  93 312.179   5.757   2.912
  722   1HB   PHE  93          HB2       PHE  93 314.577   5.986   3.387
  723   2HB   PHE  93          HB1       PHE  93 313.601   6.090   4.847
  724    HD1  PHE  93           HD1      PHE  93 313.309   3.810   6.139
  725    HD2  PHE  93           HD2      PHE  93 316.435   4.659   3.388
  726    HE1  PHE  93           HE1      PHE  93 314.674   2.050   7.185
  727    HE2  PHE  93           HE2      PHE  93 317.813   2.916   4.406
  728    HZ   PHE  93           HZ       PHE  93 316.955   1.610   6.295
  729    H    SER  94           HN       SER  94 313.877   5.721   1.261
  730    HA   SER  94           HA       SER  94 314.754   3.221   0.100
  731   1HB   SER  94          HB2       SER  94 313.043   4.894  -1.706
  732   2HB   SER  94          HB1       SER  94 313.367   3.174  -1.768
  733    HG   SER  94           HG       SER  94 311.385   4.545  -0.439
  734    H    CYS  95           HN       CYS  95 316.857   4.232   0.154
  735    HA   CYS  95           HA       CYS  95 317.065   6.706  -1.412
  736   1HB   CYS  95          HB2       CYS  95 318.578   5.716   0.979
  737   2HB   CYS  95          HB1       CYS  95 319.293   6.906  -0.103
  738    H    SER  96           HN       SER  96 318.832   6.937  -2.849
  739    HA   SER  96           HA       SER  96 320.219   4.434  -3.459
  740   1HB   SER  96          HB2       SER  96 319.778   4.589  -5.751
  741   2HB   SER  96          HB1       SER  96 318.246   5.072  -5.023
  742    HG   SER  96           HG       SER  96 319.241   6.434  -6.779
  743    H    HIS  97           HN       HIS  97 322.095   4.831  -4.982
  744    HA   HIS  97           HA       HIS  97 323.294   7.417  -5.037
  745   1HB   HIS  97          HB2       HIS  97 323.721   6.905  -2.686
  746   2HB   HIS  97          HB1       HIS  97 324.444   5.363  -3.133
  747    HD1  HIS  97           HD1      HIS  97 325.098   8.901  -4.392
  748    HD2  HIS  97           HD2      HIS  97 327.101   5.644  -2.764
  749    HE1  HIS  97           HE1      HIS  97 327.526   9.558  -4.348
  750    HE2  HIS  97           HE2      HIS  97 328.707   7.605  -3.282
  751    H    ASN  98           HN       ASN  98 324.815   7.508  -6.611
  752    HA   ASN  98           HA       ASN  98 325.244   5.117  -8.173
  753   1HB   ASN  98          HB2       ASN  98 326.532   6.714  -9.669
  754   2HB   ASN  98          HB1       ASN  98 324.823   7.071  -9.450
  755   1HD2  ASN  98          HD21      ASN  98 325.545   9.198 -10.215
  756   2HD2  ASN  98          HD22      ASN  98 326.137  10.331  -9.053
  757    H    PHE  99           HN       PHE  99 326.601   3.762  -7.083
  758    HA   PHE  99           HA       PHE  99 328.973   4.639  -5.760
  759   1HB   PHE  99          HB2       PHE  99 328.056   1.921  -6.676
  760   2HB   PHE  99          HB1       PHE  99 329.600   2.175  -5.884
  761    HD1  PHE  99           HD1      PHE  99 326.142   3.425  -5.213
  762    HD2  PHE  99           HD2      PHE  99 329.562   1.344  -3.779
  763    HE1  PHE  99           HE1      PHE  99 325.033   3.100  -3.039
  764    HE2  PHE  99           HE2      PHE  99 328.462   1.019  -1.609
  765    HZ   PHE  99           HZ       PHE  99 326.194   1.876  -1.247
  766    H    TRP 100           HN       TRP 100 330.699   5.420  -6.769
  767    HA   TRP 100           HA       TRP 100 331.298   4.558  -9.496
  768   1HB   TRP 100          HB2       TRP 100 331.520   7.015  -8.156
  769   2HB   TRP 100          HB1       TRP 100 333.174   6.465  -8.385
  770    HD1  TRP 100           HD1      TRP 100 331.689   8.954  -9.934
  771    HE1  TRP 100           HE1      TRP 100 331.788   8.973 -12.505
  772    HE3  TRP 100           HE3      TRP 100 332.706   4.006 -10.751
  773    HZ2  TRP 100           HZ2      TRP 100 332.233   7.139 -14.601
  774    HZ3  TRP 100           HZ3      TRP 100 332.951   3.223 -13.070
  775    HH2  TRP 100           HH2      TRP 100 332.720   4.758 -14.954
  776    H    LEU 101           HN       LEU 101 331.978   2.386  -8.845
  777    HA   LEU 101           HA       LEU 101 334.098   1.991  -7.004
  778   1HB   LEU 101          HB2       LEU 101 333.357   0.181  -9.301
  779   2HB   LEU 101          HB1       LEU 101 334.213  -0.264  -7.835
  780    HG   LEU 101           HG       LEU 101 331.680   0.861  -7.115
  781   1HD1  LEU 101          HD11      LEU 101 330.632  -1.420  -8.221
  782   2HD1  LEU 101          HD12      LEU 101 331.648  -0.788  -9.517
  783   3HD1  LEU 101          HD13      LEU 101 330.386   0.222  -8.814
  784   1HD2  LEU 101          HD21      LEU 101 332.209  -2.040  -6.906
  785   2HD2  LEU 101          HD22      LEU 101 331.650  -0.893  -5.688
  786   3HD2  LEU 101          HD23      LEU 101 333.358  -0.954  -6.119
  787    H    ALA 102           HN       ALA 102 334.102   1.599 -10.542
  788    HA   ALA 102           HA       ALA 102 336.717   1.327 -11.095
  789   1HB   ALA 102          HB1       ALA 102 335.603   3.300 -12.901
  790   2HB   ALA 102          HB2       ALA 102 334.445   2.015 -12.552
  791   3HB   ALA 102          HB3       ALA 102 336.038   1.617 -13.200
  792    H    ILE 103           HN       ILE 103 335.153   4.300 -10.074
  793    HA   ILE 103           HA       ILE 103 337.662   5.776 -10.361
  794    HB   ILE 103           HB       ILE 103 334.794   6.608 -10.022
  795   1HG1  ILE 103          HG12      ILE 103 335.238   7.875 -12.057
  796   2HG1  ILE 103          HG11      ILE 103 336.941   7.432 -11.994
  797   1HG2  ILE 103          HG21      ILE 103 335.760   8.090  -8.499
  798   2HG2  ILE 103          HG22      ILE 103 335.764   8.995 -10.013
  799   3HG2  ILE 103          HG23      ILE 103 337.248   8.237  -9.435
  800   1HD1  ILE 103          HD11      ILE 103 335.198   6.174 -13.536
  801   2HD1  ILE 103          HD12      ILE 103 334.965   5.231 -12.065
  802   3HD1  ILE 103          HD13      ILE 103 336.566   5.346 -12.793
  803    H    ASP 104           HN       ASP 104 335.587   4.430  -7.901
  804    HA   ASP 104           HA       ASP 104 336.971   5.976  -5.826
  805   1HB   ASP 104          HB2       ASP 104 334.446   5.792  -5.861
  806   2HB   ASP 104          HB1       ASP 104 334.643   4.092  -5.435
  807    H    MET 105           HN       MET 105 336.047   2.579  -6.442
  808    HA   MET 105           HA       MET 105 336.787   0.673  -5.321
  809   1HB   MET 105          HB2       MET 105 338.497   1.679  -7.324
  810   2HB   MET 105          HB1       MET 105 339.542   1.064  -6.052
  811   1HG   MET 105          HG2       MET 105 339.175  -0.693  -7.600
  812   2HG   MET 105          HG1       MET 105 338.270  -1.073  -6.138
  813   1HE   MET 105          HE1       MET 105 335.073  -2.139  -7.588
  814   2HE   MET 105          HE2       MET 105 335.666  -1.449  -6.077
  815   3HE   MET 105          HE3       MET 105 336.601  -2.694  -6.905
  816    H    SER 106           HN       SER 106 336.566   1.125  -3.075
  817    HA   SER 106           HA       SER 106 338.780   2.402  -1.702
  818   1HB   SER 106          HB2       SER 106 336.329   1.130  -0.474
  819   2HB   SER 106          HB1       SER 106 337.409   2.311   0.265
  820    HG   SER 106           HG       SER 106 335.587   3.373  -0.477
  821    H    PHE 107           HN       PHE 107 340.546   1.238  -1.296
  822    HA   PHE 107           HA       PHE 107 340.212  -1.579  -0.506
  823   1HB   PHE 107          HB2       PHE 107 341.979  -0.295  -2.400
  824   2HB   PHE 107          HB1       PHE 107 342.914  -1.119  -1.159
  825    HD1  PHE 107           HD1      PHE 107 341.035  -1.493  -4.169
  826    HD2  PHE 107           HD2      PHE 107 342.371  -3.557  -0.703
  827    HE1  PHE 107           HE1      PHE 107 340.682  -3.635  -5.317
  828    HE2  PHE 107           HE2      PHE 107 342.023  -5.708  -1.843
  829    HZ   PHE 107           HZ       PHE 107 341.179  -5.745  -4.154
  830    H    GLU 108           HN       GLU 108 340.883  -2.148   1.505
  831    HA   GLU 108           HA       GLU 108 342.907  -0.634   2.898
  832   1HB   GLU 108          HB2       GLU 108 340.202   0.118   3.211
  833   2HB   GLU 108          HB1       GLU 108 340.672  -0.696   4.696
  834   1HG   GLU 108          HG2       GLU 108 342.458   0.833   5.060
  835   2HG   GLU 108          HG1       GLU 108 342.249   1.544   3.460
  836    HA   PRO 109           HA       PRO 109 340.942  -4.287   5.804
  837   1HB   PRO 109          HB2       PRO 109 340.181  -5.725   3.288
  838   2HB   PRO 109          HB1       PRO 109 339.519  -5.888   4.917
  839   1HG   PRO 109          HG2       PRO 109 338.300  -4.401   3.036
  840   2HG   PRO 109          HG1       PRO 109 338.266  -3.965   4.752
  841   1HD   PRO 109          HD2       PRO 109 339.644  -2.653   2.527
  842   2HD   PRO 109          HD1       PRO 109 339.286  -2.030   4.146
  843    HA   PRO 110           HA       PRO 110 343.850  -7.280   2.870
  844   1HB   PRO 110          HB2       PRO 110 345.129  -4.733   1.926
  845   2HB   PRO 110          HB1       PRO 110 345.131  -6.328   1.162
  846   1HG   PRO 110          HG2       PRO 110 343.442  -4.398   0.384
  847   2HG   PRO 110          HG1       PRO 110 342.971  -6.104   0.383
  848   1HD   PRO 110          HD2       PRO 110 342.036  -3.924   2.098
  849   2HD   PRO 110          HD1       PRO 110 341.325  -5.523   1.835
  850    H    GLU 111           HN       GLU 111 345.894  -7.883   3.623
  851    HA   GLU 111           HA       GLU 111 346.730  -6.534   6.060
  852   1HB   GLU 111          HB2       GLU 111 346.653  -8.898   6.261
  853   2HB   GLU 111          HB1       GLU 111 347.468  -9.145   4.739
  854   1HG   GLU 111          HG2       GLU 111 349.471  -9.106   5.696
  855   2HG   GLU 111          HG1       GLU 111 349.089  -7.672   6.644
  856    H    PHE 112           HN       PHE 112 348.897  -5.759   6.404
  857    HA   PHE 112           HA       PHE 112 350.786  -5.734   4.282
  858   1HB   PHE 112          HB2       PHE 112 350.602  -3.666   3.368
  859   2HB   PHE 112          HB1       PHE 112 348.915  -3.933   3.767
  860    HD1  PHE 112           HD1      PHE 112 352.018  -2.263   4.899
  861    HD2  PHE 112           HD2      PHE 112 347.780  -2.513   5.254
  862    HE1  PHE 112           HE1      PHE 112 352.004  -0.177   6.199
  863    HE2  PHE 112           HE2      PHE 112 347.763  -0.428   6.559
  864    HZ   PHE 112           HZ       PHE 112 349.877   0.744   7.032
  865    H    GLU 113           HN       GLU 113 352.731  -5.342   4.916
  866    HA   GLU 113           HA       GLU 113 353.269  -3.993   7.469
  867   1HB   GLU 113          HB2       GLU 113 354.232  -6.760   6.704
  868   2HB   GLU 113          HB1       GLU 113 354.940  -5.799   7.994
  869   1HG   GLU 113          HG2       GLU 113 352.063  -6.637   7.903
  870   2HG   GLU 113          HG1       GLU 113 353.344  -7.528   8.734
  871    H    ILE 114           HN       ILE 114 355.569  -3.695   7.759
  872    HA   ILE 114           HA       ILE 114 357.131  -3.581   5.333
  873    HB   ILE 114           HB       ILE 114 357.582  -1.095   5.843
  874   1HG1  ILE 114          HG12      ILE 114 354.825  -0.831   6.789
  875   2HG1  ILE 114          HG11      ILE 114 355.883  -1.616   7.959
  876   1HG2  ILE 114          HG21      ILE 114 356.342  -0.695   4.036
  877   2HG2  ILE 114          HG22      ILE 114 354.852  -1.079   4.900
  878   3HG2  ILE 114          HG23      ILE 114 355.792  -2.366   4.149
  879   1HD1  ILE 114          HD11      ILE 114 356.069   0.580   8.535
  880   2HD1  ILE 114          HD12      ILE 114 355.948   1.147   6.870
  881   3HD1  ILE 114          HD13      ILE 114 357.440   0.405   7.442
  882    H    VAL 115           HN       VAL 115 358.992  -4.357   5.952
  883    HA   VAL 115           HA       VAL 115 359.929  -3.898   8.687
  884    HB   VAL 115           HB       VAL 115 360.993  -5.881   6.664
  885   1HG1  VAL 115          HG11      VAL 115 362.238  -4.936   8.874
  886   2HG1  VAL 115          HG12      VAL 115 362.480  -6.556   8.220
  887   3HG1  VAL 115          HG13      VAL 115 361.355  -6.303   9.555
  888   1HG2  VAL 115          HG21      VAL 115 359.760  -7.374   8.569
  889   2HG2  VAL 115          HG22      VAL 115 359.017  -6.915   7.037
  890   3HG2  VAL 115          HG23      VAL 115 358.686  -5.977   8.494
  891    H    GLY 116           HN       GLY 116 361.584  -2.541   9.001
  892   1HA   GLY 116          HA2       GLY 116 362.856  -1.474   6.567
  893   2HA   GLY 116          HA1       GLY 116 362.673  -0.578   8.063
  894    H    PHE 117           HN       PHE 117 364.906  -1.670   6.171
  895    HA   PHE 117           HA       PHE 117 366.612  -2.898   8.201
  896   1HB   PHE 117          HB2       PHE 117 366.767  -2.660   5.209
  897   2HB   PHE 117          HB1       PHE 117 368.205  -3.036   6.153
  898    HD1  PHE 117           HD1      PHE 117 364.635  -4.153   6.174
  899    HD2  PHE 117           HD2      PHE 117 368.747  -5.253   6.123
  900    HE1  PHE 117           HE1      PHE 117 363.997  -6.529   6.200
  901    HE2  PHE 117           HE2      PHE 117 368.115  -7.630   6.148
  902    HZ   PHE 117           HZ       PHE 117 365.738  -8.271   6.186
  903    H    THR 118           HN       THR 118 368.729  -2.023   8.576
  904    HA   THR 118           HA       THR 118 368.861   0.545   9.339
  905    HB   THR 118           HB       THR 118 371.255  -0.740   8.097
  906    HG1  THR 118           HG1      THR 118 371.381  -2.194   9.583
  907   1HG2  THR 118          HG21      THR 118 372.340   0.932   9.069
  908   2HG2  THR 118          HG22      THR 118 371.924   0.188  10.612
  909   3HG2  THR 118          HG23      THR 118 370.891   1.445   9.934
  910    H    ASN 119           HN       ASN 119 369.624  -0.606   6.050
  911    HA   ASN 119           HA       ASN 119 369.807   2.207   5.193
  912   1HB   ASN 119          HB2       ASN 119 371.724   0.152   4.949
  913   2HB   ASN 119          HB1       ASN 119 371.127   0.486   3.326
  914   1HD2  ASN 119          HD21      ASN 119 370.542   3.219   3.676
  915   2HD2  ASN 119          HD22      ASN 119 372.036   4.069   3.843
  916    H    HIS 120           HN       HIS 120 367.495   0.065   5.061
  917    HA   HIS 120           HA       HIS 120 366.492   1.047   2.564
  918   1HB   HIS 120          HB2       HIS 120 366.103  -1.282   1.600
  919   2HB   HIS 120          HB1       HIS 120 367.711  -0.590   1.453
  920    HD1  HIS 120           HD1      HIS 120 369.399  -1.439   3.500
  921    HD2  HIS 120           HD2      HIS 120 366.131  -3.816   2.534
  922    HE1  HIS 120           HE1      HIS 120 369.943  -3.725   4.394
  923    HE2  HIS 120           HE2      HIS 120 368.004  -5.172   3.691
  924    H    ILE 121           HN       ILE 121 364.380  -0.114   1.968
  925    HA   ILE 121           HA       ILE 121 362.885  -0.664   4.452
  926    HB   ILE 121           HB       ILE 121 361.842   0.727   1.987
  927   1HG1  ILE 121          HG12      ILE 121 362.754   1.780   4.655
  928   2HG1  ILE 121          HG11      ILE 121 363.210   2.328   3.051
  929   1HG2  ILE 121          HG21      ILE 121 359.930   1.196   3.734
  930   2HG2  ILE 121          HG22      ILE 121 360.562  -0.270   4.476
  931   3HG2  ILE 121          HG23      ILE 121 359.981  -0.307   2.818
  932   1HD1  ILE 121          HD11      ILE 121 361.023   3.330   2.730
  933   2HD1  ILE 121          HD12      ILE 121 361.753   3.922   4.225
  934   3HD1  ILE 121          HD13      ILE 121 360.490   2.696   4.291
  935    H    ASN 122           HN       ASN 122 361.543  -2.377   4.445
  936    HA   ASN 122           HA       ASN 122 361.258  -3.871   1.927
  937   1HB   ASN 122          HB2       ASN 122 362.028  -4.780   4.636
  938   2HB   ASN 122          HB1       ASN 122 360.858  -5.792   3.799
  939   1HD2  ASN 122          HD21      ASN 122 361.591  -7.226   2.396
  940   2HD2  ASN 122          HD22      ASN 122 363.194  -7.276   1.753
  941    H    VAL 123           HN       VAL 123 359.311  -3.139   1.320
  942    HA   VAL 123           HA       VAL 123 357.111  -3.136   3.253
  943    HB   VAL 123           HB       VAL 123 357.107  -2.110   0.411
  944   1HG1  VAL 123          HG11      VAL 123 354.951  -1.587   0.675
  945   2HG1  VAL 123          HG12      VAL 123 355.206  -0.982   2.311
  946   3HG1  VAL 123          HG13      VAL 123 354.972  -2.708   2.036
  947   1HG2  VAL 123          HG21      VAL 123 358.102  -0.945   2.901
  948   2HG2  VAL 123          HG22      VAL 123 356.961   0.083   2.035
  949   3HG2  VAL 123          HG23      VAL 123 358.419  -0.492   1.227
  950    H    MET 124           HN       MET 124 355.445  -4.530   3.164
  951    HA   MET 124           HA       MET 124 355.198  -6.254   0.808
  952   1HB   MET 124          HB2       MET 124 356.267  -7.201   3.128
  953   2HB   MET 124          HB1       MET 124 354.566  -7.593   3.344
  954   1HG   MET 124          HG2       MET 124 355.329  -9.465   2.297
  955   2HG   MET 124          HG1       MET 124 354.781  -8.532   0.925
  956   1HE   MET 124          HE1       MET 124 357.611  -9.368   3.261
  957   2HE   MET 124          HE2       MET 124 358.167  -7.719   2.962
  958   3HE   MET 124          HE3       MET 124 359.091  -9.090   2.341
  959    H    VAL 125           HN       VAL 125 353.265  -5.822   0.003
  960    HA   VAL 125           HA       VAL 125 351.065  -5.203   1.837
  961    HB   VAL 125           HB       VAL 125 351.047  -4.959  -1.171
  962   1HG1  VAL 125          HG11      VAL 125 349.363  -3.586   0.912
  963   2HG1  VAL 125          HG12      VAL 125 348.870  -5.033   0.035
  964   3HG1  VAL 125          HG13      VAL 125 349.156  -3.528  -0.839
  965   1HG2  VAL 125          HG21      VAL 125 352.864  -3.604  -0.330
  966   2HG2  VAL 125          HG22      VAL 125 351.813  -2.907   0.902
  967   3HG2  VAL 125          HG23      VAL 125 351.528  -2.555  -0.805
  968    H    LYS 126           HN       LYS 126 349.915  -6.846   2.441
  969    HA   LYS 126           HA       LYS 126 349.939  -9.268   0.920
  970   1HB   LYS 126          HB2       LYS 126 348.696  -8.568   3.552
  971   2HB   LYS 126          HB1       LYS 126 348.772 -10.190   2.881
  972   1HG   LYS 126          HG2       LYS 126 350.573 -10.173   4.299
  973   2HG   LYS 126          HG1       LYS 126 351.331  -9.723   2.762
  974   1HD   LYS 126          HD2       LYS 126 351.487  -7.469   3.383
  975   2HD   LYS 126          HD1       LYS 126 350.370  -7.670   4.732
  976   1HE   LYS 126          HE2       LYS 126 353.231  -8.528   4.496
  977   2HE   LYS 126          HE1       LYS 126 352.467  -7.551   5.748
  978   1HZ   LYS 126          HZ1       LYS 126 352.871  -9.674   6.665
  979   2HZ   LYS 126          HZ2       LYS 126 352.209 -10.474   5.331
  980   3HZ   LYS 126          HZ3       LYS 126 351.206  -9.602   6.375
  981    H    PHE 127           HN       PHE 127 348.711  -8.771  -0.934
  982    HA   PHE 127           HA       PHE 127 345.836  -8.269  -0.651
  983   1HB   PHE 127          HB2       PHE 127 347.714  -8.623  -2.996
  984   2HB   PHE 127          HB1       PHE 127 345.973  -8.657  -3.206
  985    HD1  PHE 127           HD1      PHE 127 348.868  -6.645  -3.078
  986    HD2  PHE 127           HD2      PHE 127 344.667  -6.584  -2.412
  987    HE1  PHE 127           HE1      PHE 127 348.863  -4.205  -3.377
  988    HE2  PHE 127           HE2      PHE 127 344.654  -4.139  -2.703
  989    HZ   PHE 127           HZ       PHE 127 346.755  -2.952  -3.203
  990    HA   PRO 128           HA       PRO 128 344.576 -12.522  -0.572
  991   1HB   PRO 128          HB2       PRO 128 342.744 -12.492  -2.677
  992   2HB   PRO 128          HB1       PRO 128 342.388 -12.087  -0.993
  993   1HG   PRO 128          HG2       PRO 128 343.025 -10.277  -3.286
  994   2HG   PRO 128          HG1       PRO 128 341.830 -10.074  -1.997
  995   1HD   PRO 128          HD2       PRO 128 344.117  -8.734  -1.910
  996   2HD   PRO 128          HD1       PRO 128 343.457  -9.458  -0.424
  997    H    SER 129           HN       SER 129 344.811 -14.485  -1.681
  998    HA   SER 129           HA       SER 129 346.780 -14.456  -3.775
  999   1HB   SER 129          HB2       SER 129 346.223 -17.027  -3.685
 1000   2HB   SER 129          HB1       SER 129 347.088 -16.272  -2.346
 1001    HG   SER 129           HG       SER 129 344.272 -16.557  -2.392
 1002    H    ILE 130           HN       ILE 130 345.996 -13.705  -5.667
 1003    HA   ILE 130           HA       ILE 130 343.839 -15.234  -6.944
 1004    HB   ILE 130           HB       ILE 130 342.668 -13.309  -6.184
 1005   1HG1  ILE 130          HG12      ILE 130 342.585 -14.035  -8.723
 1006   2HG1  ILE 130          HG11      ILE 130 341.706 -12.618  -8.165
 1007   1HG2  ILE 130          HG21      ILE 130 344.196 -11.724  -5.550
 1008   2HG2  ILE 130          HG22      ILE 130 343.558 -10.999  -7.025
 1009   3HG2  ILE 130          HG23      ILE 130 345.108 -11.840  -7.055
 1010   1HD1  ILE 130          HD11      ILE 130 344.467 -12.170  -9.125
 1011   2HD1  ILE 130          HD12      ILE 130 343.018 -11.186  -9.321
 1012   3HD1  ILE 130          HD13      ILE 130 343.257 -12.611 -10.329
 1013    H    VAL 131           HN       VAL 131 344.018 -15.456  -9.174
 1014    HA   VAL 131           HA       VAL 131 346.634 -14.711 -10.246
 1015    HB   VAL 131           HB       VAL 131 344.543 -16.463 -11.541
 1016   1HG1  VAL 131          HG11      VAL 131 346.060 -16.936 -13.158
 1017   2HG1  VAL 131          HG12      VAL 131 347.438 -16.759 -12.073
 1018   3HG1  VAL 131          HG13      VAL 131 346.646 -15.328 -12.732
 1019   1HG2  VAL 131          HG21      VAL 131 346.422 -18.202 -10.713
 1020   2HG2  VAL 131          HG22      VAL 131 344.968 -17.825  -9.789
 1021   3HG2  VAL 131          HG23      VAL 131 346.492 -17.026  -9.400
 1022    H    GLU 132           HN       GLU 132 346.454 -12.602 -10.779
 1023    HA   GLU 132           HA       GLU 132 344.457 -11.103 -11.748
 1024   1HB   GLU 132          HB2       GLU 132 346.022  -9.622 -12.657
 1025   2HB   GLU 132          HB1       GLU 132 346.847 -10.413 -11.325
 1026   1HG   GLU 132          HG2       GLU 132 347.888 -11.934 -12.971
 1027   2HG   GLU 132          HG1       GLU 132 347.141 -10.980 -14.251
 1028    H    GLU 133           HN       GLU 133 346.035 -13.589 -13.516
 1029    HA   GLU 133           HA       GLU 133 345.434 -12.905 -16.160
 1030   1HB   GLU 133          HB2       GLU 133 345.828 -15.532 -14.760
 1031   2HB   GLU 133          HB1       GLU 133 345.369 -15.488 -16.458
 1032   1HG   GLU 133          HG2       GLU 133 347.415 -13.810 -16.578
 1033   2HG   GLU 133          HG1       GLU 133 347.916 -14.722 -15.155
 1034    H    GLU 134           HN       GLU 134 343.343 -13.563 -13.645
 1035    HA   GLU 134           HA       GLU 134 341.071 -13.854 -15.478
 1036   1HB   GLU 134          HB2       GLU 134 341.590 -15.436 -12.959
 1037   2HB   GLU 134          HB1       GLU 134 339.981 -15.271 -13.648
 1038   1HG   GLU 134          HG2       GLU 134 341.309 -16.090 -15.823
 1039   2HG   GLU 134          HG1       GLU 134 342.290 -16.853 -14.572
 1040    H    LEU 135           HN       LEU 135 342.367 -11.634 -14.091
 1041    HA   LEU 135           HA       LEU 135 340.319 -10.790 -12.174
 1042   1HB   LEU 135          HB2       LEU 135 342.425 -10.605 -11.189
 1043   2HB   LEU 135          HB1       LEU 135 343.178 -10.065 -12.675
 1044    HG   LEU 135           HG       LEU 135 341.179  -8.252 -11.455
 1045   1HD1  LEU 135          HD11      LEU 135 342.664  -9.220  -9.602
 1046   2HD1  LEU 135          HD12      LEU 135 342.561  -7.464  -9.746
 1047   3HD1  LEU 135          HD13      LEU 135 343.973  -8.324 -10.373
 1048   1HD2  LEU 135          HD21      LEU 135 342.157  -7.444 -13.420
 1049   2HD2  LEU 135          HD22      LEU 135 343.758  -8.042 -12.976
 1050   3HD2  LEU 135          HD23      LEU 135 343.070  -6.648 -12.138
 1051    H    GLN 136           HN       GLN 136 338.838  -9.335 -12.794
 1052    HA   GLN 136           HA       GLN 136 339.040  -8.116 -15.415
 1053   1HB   GLN 136          HB2       GLN 136 336.944  -9.133 -14.131
 1054   2HB   GLN 136          HB1       GLN 136 336.797  -7.474 -13.570
 1055   1HG   GLN 136          HG2       GLN 136 336.346  -6.657 -15.666
 1056   2HG   GLN 136          HG1       GLN 136 337.144  -8.003 -16.479
 1057   1HE2  GLN 136          HE21      GLN 136 334.358  -6.722 -16.509
 1058   2HE2  GLN 136          HE22      GLN 136 333.293  -8.080 -16.429
 1059    H    PHE 137           HN       PHE 137 340.368  -7.266 -12.623
 1060    HA   PHE 137           HA       PHE 137 339.594  -4.538 -12.342
 1061   1HB   PHE 137          HB2       PHE 137 341.250  -6.393 -10.933
 1062   2HB   PHE 137          HB1       PHE 137 342.191  -4.942 -11.243
 1063    HD1  PHE 137           HD1      PHE 137 339.828  -2.997 -11.121
 1064    HD2  PHE 137           HD2      PHE 137 341.100  -6.187  -8.612
 1065    HE1  PHE 137           HE1      PHE 137 338.794  -1.885  -9.189
 1066    HE2  PHE 137           HE2      PHE 137 340.067  -5.090  -6.680
 1067    HZ   PHE 137           HZ       PHE 137 338.912  -2.927  -6.963
 1068    H    ASP 138           HN       ASP 138 341.281  -2.810 -12.394
 1069    HA   ASP 138           HA       ASP 138 343.387  -3.010 -14.341
 1070   1HB   ASP 138          HB2       ASP 138 340.778  -2.060 -15.137
 1071   2HB   ASP 138          HB1       ASP 138 341.946  -0.747 -15.239
 1072    H    LEU 139           HN       LEU 139 343.117  -2.497 -11.572
 1073    HA   LEU 139           HA       LEU 139 343.796   0.352 -11.335
 1074   1HB   LEU 139          HB2       LEU 139 342.745   0.389  -9.337
 1075   2HB   LEU 139          HB1       LEU 139 341.928  -1.019  -9.970
 1076    HG   LEU 139           HG       LEU 139 344.254  -1.025  -8.054
 1077   1HD1  LEU 139          HD11      LEU 139 341.558  -2.205  -7.579
 1078   2HD1  LEU 139          HD12      LEU 139 341.813  -0.472  -7.354
 1079   3HD1  LEU 139          HD13      LEU 139 342.754  -1.631  -6.414
 1080   1HD2  LEU 139          HD21      LEU 139 344.715  -3.056  -8.868
 1081   2HD2  LEU 139          HD22      LEU 139 343.248  -3.087  -9.843
 1082   3HD2  LEU 139          HD23      LEU 139 343.191  -3.572  -8.151
 1083    H    SER 140           HN       SER 140 345.503   0.954  -9.884
 1084    HA   SER 140           HA       SER 140 347.581  -1.113  -9.672
 1085   1HB   SER 140          HB2       SER 140 347.826   1.884  -9.990
 1086   2HB   SER 140          HB1       SER 140 349.179   0.861  -9.491
 1087    HG   SER 140           HG       SER 140 347.689   0.361 -11.851
 1088    H    LEU 141           HN       LEU 141 349.227  -0.257  -7.884
 1089    HA   LEU 141           HA       LEU 141 347.652   0.490  -5.531
 1090   1HB   LEU 141          HB2       LEU 141 348.397  -1.976  -5.651
 1091   2HB   LEU 141          HB1       LEU 141 350.014  -1.368  -5.369
 1092    HG   LEU 141           HG       LEU 141 348.702  -2.216  -3.349
 1093   1HD1  LEU 141          HD11      LEU 141 350.446  -1.183  -2.440
 1094   2HD1  LEU 141          HD12      LEU 141 349.394   0.217  -2.231
 1095   3HD1  LEU 141          HD13      LEU 141 350.423   0.092  -3.656
 1096   1HD2  LEU 141          HD21      LEU 141 346.918  -1.093  -2.526
 1097   2HD2  LEU 141          HD22      LEU 141 346.705  -0.662  -4.222
 1098   3HD2  LEU 141          HD23      LEU 141 347.486   0.468  -3.117
 1099    H    VAL 142           HN       VAL 142 348.664   1.825  -4.095
 1100    HA   VAL 142           HA       VAL 142 351.153   3.031  -5.077
 1101    HB   VAL 142           HB       VAL 142 349.048   4.557  -3.558
 1102   1HG1  VAL 142          HG11      VAL 142 351.397   5.428  -5.239
 1103   2HG1  VAL 142          HG12      VAL 142 351.294   5.491  -3.477
 1104   3HG1  VAL 142          HG13      VAL 142 350.239   6.503  -4.462
 1105   1HG2  VAL 142          HG21      VAL 142 348.536   5.564  -5.831
 1106   2HG2  VAL 142          HG22      VAL 142 347.936   3.931  -5.545
 1107   3HG2  VAL 142          HG23      VAL 142 349.382   4.180  -6.523
 1108    H    ILE 143           HN       ILE 143 352.739   2.525  -3.803
 1109    HA   ILE 143           HA       ILE 143 352.332   2.081  -0.949
 1110    HB   ILE 143           HB       ILE 143 355.112   2.004  -1.767
 1111   1HG1  ILE 143          HG12      ILE 143 354.412   1.473  -4.007
 1112   2HG1  ILE 143          HG11      ILE 143 354.960  -0.008  -3.258
 1113   1HG2  ILE 143          HG21      ILE 143 353.276  -0.186  -0.839
 1114   2HG2  ILE 143          HG22      ILE 143 354.153   0.935   0.206
 1115   3HG2  ILE 143          HG23      ILE 143 355.040  -0.202  -0.813
 1116   1HD1  ILE 143          HD11      ILE 143 352.340  -0.197  -2.722
 1117   2HD1  ILE 143          HD12      ILE 143 353.095  -0.829  -4.188
 1118   3HD1  ILE 143          HD13      ILE 143 352.278   0.734  -4.223
 1119    H    GLU 144           HN       GLU 144 352.091   4.065   0.025
 1120    HA   GLU 144           HA       GLU 144 353.787   6.297  -0.744
 1121   1HB   GLU 144          HB2       GLU 144 351.328   5.908   0.778
 1122   2HB   GLU 144          HB1       GLU 144 352.378   7.125   1.459
 1123   1HG   GLU 144          HG2       GLU 144 352.440   7.992  -0.996
 1124   2HG   GLU 144          HG1       GLU 144 350.947   7.082  -1.125
 1125    H    GLU 145           HN       GLU 145 355.690   6.731   0.131
 1126    HA   GLU 145           HA       GLU 145 356.425   5.401   2.646
 1127   1HB   GLU 145          HB2       GLU 145 357.731   4.988   0.510
 1128   2HB   GLU 145          HB1       GLU 145 358.303   6.640   0.642
 1129   1HG   GLU 145          HG2       GLU 145 358.638   4.961   3.030
 1130   2HG   GLU 145          HG1       GLU 145 359.616   4.544   1.627
 1131    H    GLN 146           HN       GLN 146 356.159   6.673   4.372
 1132    HA   GLN 146           HA       GLN 146 356.933   9.513   4.179
 1133   1HB   GLN 146          HB2       GLN 146 354.597   8.452   5.020
 1134   2HB   GLN 146          HB1       GLN 146 355.437   8.621   6.548
 1135   1HG   GLN 146          HG2       GLN 146 355.417  10.927   4.680
 1136   2HG   GLN 146          HG1       GLN 146 353.940  10.547   5.568
 1137   1HE2  GLN 146          HE21      GLN 146 353.760  11.854   7.234
 1138   2HE2  GLN 146          HE22      GLN 146 355.028  12.316   8.312
 1139    H    SER 147           HN       SER 147 359.141   8.490   4.373
 1140    HA   SER 147           HA       SER 147 359.875   7.579   7.020
 1141   1HB   SER 147          HB2       SER 147 361.732   6.655   6.097
 1142   2HB   SER 147          HB1       SER 147 360.769   6.800   4.632
 1143    HG   SER 147           HG       SER 147 362.227   8.097   3.893
 1144    H    GLU 148           HN       GLU 148 360.811   8.618   8.558
 1145    HA   GLU 148           HA       GLU 148 361.456  10.416   9.811
 1146   1HB   GLU 148          HB2       GLU 148 363.506   9.381   8.631
 1147   2HB   GLU 148          HB1       GLU 148 363.506  10.851   7.664
 1148   1HG   GLU 148          HG2       GLU 148 363.341  11.276  10.562
 1149   2HG   GLU 148          HG1       GLU 148 364.837  10.536   9.995
 1150    H    GLY 149           HN       GLY 149 359.308  11.285   8.246
 1151   1HA   GLY 149          HA2       GLY 149 358.390  13.449   8.129
 1152   2HA   GLY 149          HA1       GLY 149 360.012  14.111   8.057
 1153    H    ILE 150           HN       ILE 150 360.301  11.837   5.839
 1154    HA   ILE 150           HA       ILE 150 359.588  13.666   3.683
 1155    HB   ILE 150           HB       ILE 150 360.875  11.069   3.053
 1156   1HG1  ILE 150          HG12      ILE 150 362.950  12.953   3.684
 1157   2HG1  ILE 150          HG11      ILE 150 361.959  12.692   5.114
 1158   1HG2  ILE 150          HG21      ILE 150 360.411  12.593   1.273
 1159   2HG2  ILE 150          HG22      ILE 150 362.158  12.530   1.507
 1160   3HG2  ILE 150          HG23      ILE 150 361.236  13.905   2.116
 1161   1HD1  ILE 150          HD11      ILE 150 362.332  10.150   4.162
 1162   2HD1  ILE 150          HD12      ILE 150 363.237  10.910   5.470
 1163   3HD1  ILE 150          HD13      ILE 150 363.876  10.934   3.825
 1164    H    VAL 151           HN       VAL 151 357.744  13.427   2.633
 1165    HA   VAL 151           HA       VAL 151 356.314  10.878   2.825
 1166    HB   VAL 151           HB       VAL 151 355.231  13.466   1.719
 1167   1HG1  VAL 151          HG11      VAL 151 353.218  12.449   1.621
 1168   2HG1  VAL 151          HG12      VAL 151 353.513  11.483   3.067
 1169   3HG1  VAL 151          HG13      VAL 151 354.204  10.990   1.521
 1170   1HG2  VAL 151          HG21      VAL 151 355.252  14.329   3.769
 1171   2HG2  VAL 151          HG22      VAL 151 355.905  12.836   4.443
 1172   3HG2  VAL 151          HG23      VAL 151 354.162  13.039   4.276
 1173    H    LYS 152           HN       LYS 152 355.844   9.640   1.082
 1174    HA   LYS 152           HA       LYS 152 356.337  10.688  -1.592
 1175   1HB   LYS 152          HB2       LYS 152 358.374   9.387  -0.429
 1176   2HB   LYS 152          HB1       LYS 152 357.485   8.003  -1.051
 1177   1HG   LYS 152          HG2       LYS 152 358.292   8.345  -3.081
 1178   2HG   LYS 152          HG1       LYS 152 357.669   9.996  -3.091
 1179   1HD   LYS 152          HD2       LYS 152 359.832  10.274  -1.481
 1180   2HD   LYS 152          HD1       LYS 152 360.387   8.997  -2.566
 1181   1HE   LYS 152          HE2       LYS 152 359.281  10.709  -4.340
 1182   2HE   LYS 152          HE1       LYS 152 359.830  11.840  -3.104
 1183   1HZ   LYS 152          HZ1       LYS 152 361.379  10.958  -5.069
 1184   2HZ   LYS 152          HZ2       LYS 152 361.734   9.793  -3.896
 1185   3HZ   LYS 152          HZ3       LYS 152 361.983  11.432  -3.561
 1186    H    LYS 153           HN       LYS 153 355.515   9.262  -3.275
 1187    HA   LYS 153           HA       LYS 153 353.480   7.357  -2.316
 1188   1HB   LYS 153          HB2       LYS 153 352.045   8.224  -4.253
 1189   2HB   LYS 153          HB1       LYS 153 352.171   9.249  -2.831
 1190   1HG   LYS 153          HG2       LYS 153 353.670  10.726  -3.919
 1191   2HG   LYS 153          HG1       LYS 153 353.885   9.614  -5.272
 1192   1HD   LYS 153          HD2       LYS 153 351.678   9.991  -6.050
 1193   2HD   LYS 153          HD1       LYS 153 351.222  10.822  -4.562
 1194   1HE   LYS 153          HE2       LYS 153 352.376  12.745  -5.127
 1195   2HE   LYS 153          HE1       LYS 153 353.448  11.896  -6.240
 1196   1HZ   LYS 153          HZ1       LYS 153 351.715  13.346  -7.290
 1197   2HZ   LYS 153          HZ2       LYS 153 350.550  12.244  -6.754
 1198   3HZ   LYS 153          HZ3       LYS 153 351.744  11.748  -7.844
 1199    H    HIS 154           HN       HIS 154 354.440   5.545  -2.957
 1200    HA   HIS 154           HA       HIS 154 355.695   5.307  -5.573
 1201   1HB   HIS 154          HB2       HIS 154 355.377   3.326  -3.302
 1202   2HB   HIS 154          HB1       HIS 154 356.210   2.966  -4.802
 1203    HD1  HIS 154           HD1      HIS 154 358.274   4.773  -5.299
 1204    HD2  HIS 154           HD2      HIS 154 357.048   4.234  -1.360
 1205    HE1  HIS 154           HE1      HIS 154 360.175   5.606  -3.881
 1206    HE2  HIS 154           HE2      HIS 154 359.366   5.368  -1.507
 1207    H    LYS 155           HN       LYS 155 354.919   3.980  -7.246
 1208    HA   LYS 155           HA       LYS 155 352.301   2.735  -6.813
 1209   1HB   LYS 155          HB2       LYS 155 351.601   3.635  -9.082
 1210   2HB   LYS 155          HB1       LYS 155 351.633   4.783  -7.755
 1211   1HG   LYS 155          HG2       LYS 155 352.974   6.099  -8.907
 1212   2HG   LYS 155          HG1       LYS 155 354.184   4.817  -8.983
 1213   1HD   LYS 155          HD2       LYS 155 353.190   3.942 -11.004
 1214   2HD   LYS 155          HD1       LYS 155 351.868   5.106 -10.896
 1215   1HE   LYS 155          HE2       LYS 155 353.444   6.940 -11.192
 1216   2HE   LYS 155          HE1       LYS 155 354.783   5.794 -11.257
 1217   1HZ   LYS 155          HZ1       LYS 155 354.255   6.337 -13.471
 1218   2HZ   LYS 155          HZ2       LYS 155 352.594   6.141 -13.222
 1219   3HZ   LYS 155          HZ3       LYS 155 353.613   4.791 -13.223
 1220    HA   PRO 156           HA       PRO 156 355.421  -0.017  -8.934
 1221   1HB   PRO 156          HB2       PRO 156 354.087  -1.911  -7.088
 1222   2HB   PRO 156          HB1       PRO 156 355.808  -1.694  -7.433
 1223   1HG   PRO 156          HG2       PRO 156 354.811  -0.817  -5.148
 1224   2HG   PRO 156          HG1       PRO 156 355.977   0.167  -6.050
 1225   1HD   PRO 156          HD2       PRO 156 353.004   0.432  -5.927
 1226   2HD   PRO 156          HD1       PRO 156 354.243   1.693  -5.795
 1227    H    GLU 157           HN       GLU 157 355.027  -1.583 -10.495
 1228    HA   GLU 157           HA       GLU 157 352.472  -1.610 -11.690
 1229   1HB   GLU 157          HB2       GLU 157 355.053  -2.459 -12.388
 1230   2HB   GLU 157          HB1       GLU 157 354.073  -3.919 -12.416
 1231   1HG   GLU 157          HG2       GLU 157 352.878  -3.250 -14.207
 1232   2HG   GLU 157          HG1       GLU 157 352.921  -1.550 -13.741
 1233    H    ILE 158           HN       ILE 158 350.719  -2.657 -11.024
 1234    HA   ILE 158           HA       ILE 158 351.016  -4.830  -9.111
 1235    HB   ILE 158           HB       ILE 158 348.351  -3.834 -10.039
 1236   1HG1  ILE 158          HG12      ILE 158 349.764  -1.846  -9.488
 1237   2HG1  ILE 158          HG11      ILE 158 348.396  -2.064  -8.404
 1238   1HG2  ILE 158          HG21      ILE 158 347.561  -4.965  -8.284
 1239   2HG2  ILE 158          HG22      ILE 158 348.814  -4.348  -7.205
 1240   3HG2  ILE 158          HG23      ILE 158 349.140  -5.748  -8.233
 1241   1HD1  ILE 158          HD11      ILE 158 350.503  -1.408  -7.266
 1242   2HD1  ILE 158          HD12      ILE 158 351.183  -2.962  -7.771
 1243   3HD1  ILE 158          HD13      ILE 158 349.796  -2.919  -6.687
 1244    H    LYS 159           HN       LYS 159 351.469  -5.026 -12.145
 1245    HA   LYS 159           HA       LYS 159 349.454  -6.775 -13.131
 1246   1HB   LYS 159          HB2       LYS 159 352.220  -6.023 -14.008
 1247   2HB   LYS 159          HB1       LYS 159 351.414  -7.391 -14.763
 1248   1HG   LYS 159          HG2       LYS 159 349.713  -6.045 -15.647
 1249   2HG   LYS 159          HG1       LYS 159 350.119  -4.692 -14.589
 1250   1HD   LYS 159          HD2       LYS 159 351.146  -3.934 -16.462
 1251   2HD   LYS 159          HD1       LYS 159 352.456  -4.960 -15.873
 1252   1HE   LYS 159          HE2       LYS 159 352.368  -5.870 -17.924
 1253   2HE   LYS 159          HE1       LYS 159 350.978  -6.747 -17.285
 1254   1HZ   LYS 159          HZ1       LYS 159 349.606  -4.819 -18.109
 1255   2HZ   LYS 159          HZ2       LYS 159 350.282  -5.807 -19.303
 1256   3HZ   LYS 159          HZ3       LYS 159 350.977  -4.304 -18.957
 1257    H    GLY 160           HN       GLY 160 349.495  -7.991 -10.994
 1258   1HA   GLY 160          HA2       GLY 160 349.684 -10.380 -10.599
 1259   2HA   GLY 160          HA1       GLY 160 351.306 -10.303 -11.272
 1260    H    ASN 161           HN       ASN 161 350.512  -7.665  -9.277
 1261    HA   ASN 161           HA       ASN 161 352.183  -8.769  -7.141
 1262   1HB   ASN 161          HB2       ASN 161 351.486  -5.884  -7.641
 1263   2HB   ASN 161          HB1       ASN 161 352.697  -6.506  -6.524
 1264   1HD2  ASN 161          HD21      ASN 161 354.543  -5.753  -7.325
 1265   2HD2  ASN 161          HD22      ASN 161 355.115  -6.023  -8.932
 1266    H    MET 162           HN       MET 162 348.983  -7.834  -7.859
 1267    HA   MET 162           HA       MET 162 348.238  -7.458  -5.060
 1268   1HB   MET 162          HB2       MET 162 347.114  -6.756  -7.662
 1269   2HB   MET 162          HB1       MET 162 345.911  -7.465  -6.599
 1270   1HG   MET 162          HG2       MET 162 346.375  -5.788  -4.914
 1271   2HG   MET 162          HG1       MET 162 347.639  -5.095  -5.922
 1272   1HE   MET 162          HE1       MET 162 347.345  -3.111  -6.994
 1273   2HE   MET 162          HE2       MET 162 346.214  -2.507  -5.782
 1274   3HE   MET 162          HE3       MET 162 345.838  -2.330  -7.499
 1275    H    SER 163           HN       SER 163 349.237 -10.017  -5.668
 1276    HA   SER 163           HA       SER 163 346.815 -11.671  -5.416
 1277   1HB   SER 163          HB2       SER 163 347.946 -13.434  -6.723
 1278   2HB   SER 163          HB1       SER 163 347.718 -11.954  -7.656
 1279    HG   SER 163           HG       SER 163 349.964 -13.234  -7.236
 1280    H    GLY 164           HN       GLY 164 348.519 -10.685  -3.222
 1281   1HA   GLY 164          HA2       GLY 164 348.617 -12.619  -1.439
 1282   2HA   GLY 164          HA1       GLY 164 349.973 -13.102  -2.439
 1283    H    ASN 165           HN       ASN 165 351.765 -12.660  -1.287
 1284    HA   ASN 165           HA       ASN 165 351.877 -10.327   0.427
 1285   1HB   ASN 165          HB2       ASN 165 354.438 -11.376   0.420
 1286   2HB   ASN 165          HB1       ASN 165 353.179 -11.709   1.598
 1287   1HD2  ASN 165          HD21      ASN 165 352.301 -13.703   1.697
 1288   2HD2  ASN 165          HD22      ASN 165 352.773 -15.025   0.689
 1289    H    PHE 166           HN       PHE 166 351.618  -8.787  -1.339
 1290    HA   PHE 166           HA       PHE 166 353.267  -8.269  -3.461
 1291   1HB   PHE 166          HB2       PHE 166 351.303  -6.909  -2.328
 1292   2HB   PHE 166          HB1       PHE 166 352.619  -6.021  -1.592
 1293    HD1  PHE 166           HD1      PHE 166 350.344  -5.962  -4.107
 1294    HD2  PHE 166           HD2      PHE 166 354.510  -5.383  -3.477
 1295    HE1  PHE 166           HE1      PHE 166 350.434  -4.536  -6.086
 1296    HE2  PHE 166           HE2      PHE 166 354.610  -3.941  -5.471
 1297    HZ   PHE 166           HZ       PHE 166 352.562  -3.510  -6.773
 1298    H    THR 167           HN       THR 167 355.394  -7.602  -3.705
 1299    HA   THR 167           HA       THR 167 356.869  -7.149  -1.178
 1300    HB   THR 167           HB       THR 167 358.390  -8.273  -3.451
 1301    HG1  THR 167           HG1      THR 167 356.571  -9.519  -3.709
 1302   1HG2  THR 167          HG21      THR 167 358.794  -8.013  -0.764
 1303   2HG2  THR 167          HG22      THR 167 359.705  -9.068  -1.849
 1304   3HG2  THR 167          HG23      THR 167 358.342  -9.711  -0.928
 1305    H    TYR 168           HN       TYR 168 357.295  -4.997  -1.194
 1306    HA   TYR 168           HA       TYR 168 358.686  -3.886  -3.539
 1307   1HB   TYR 168          HB2       TYR 168 356.460  -2.882  -3.407
 1308   2HB   TYR 168          HB1       TYR 168 356.722  -2.453  -1.721
 1309    HD1  TYR 168           HD1      TYR 168 358.912  -0.943  -1.336
 1310    HD2  TYR 168           HD2      TYR 168 356.758  -1.250  -4.986
 1311    HE1  TYR 168           HE1      TYR 168 359.840   1.217  -2.060
 1312    HE2  TYR 168           HE2      TYR 168 357.673   0.915  -5.713
 1313    HH   TYR 168           HH       TYR 168 360.111   2.256  -4.870
 1314    H    ILE 169           HN       ILE 169 360.503  -2.601  -3.096
 1315    HA   ILE 169           HA       ILE 169 361.265  -2.444  -0.250
 1316    HB   ILE 169           HB       ILE 169 363.205  -2.880  -2.518
 1317   1HG1  ILE 169          HG12      ILE 169 361.771  -4.855  -2.199
 1318   2HG1  ILE 169          HG11      ILE 169 363.429  -5.175  -1.698
 1319   1HG2  ILE 169          HG21      ILE 169 363.860  -1.700  -0.270
 1320   2HG2  ILE 169          HG22      ILE 169 364.902  -2.951  -0.947
 1321   3HG2  ILE 169          HG23      ILE 169 363.805  -3.343   0.377
 1322   1HD1  ILE 169          HD11      ILE 169 360.986  -4.830  -0.016
 1323   2HD1  ILE 169          HD12      ILE 169 362.596  -4.584   0.660
 1324   3HD1  ILE 169          HD13      ILE 169 362.159  -6.147  -0.030
 1325    H    ILE 170           HN       ILE 170 361.345  -0.409   0.388
 1326    HA   ILE 170           HA       ILE 170 361.931   1.708  -1.529
 1327    HB   ILE 170           HB       ILE 170 361.581   2.438   1.291
 1328   1HG1  ILE 170          HG12      ILE 170 359.338   1.217  -0.321
 1329   2HG1  ILE 170          HG11      ILE 170 359.970   0.642   1.213
 1330   1HG2  ILE 170          HG21      ILE 170 361.233   3.571  -1.328
 1331   2HG2  ILE 170          HG22      ILE 170 361.325   4.375   0.239
 1332   3HG2  ILE 170          HG23      ILE 170 359.775   3.788  -0.360
 1333   1HD1  ILE 170          HD11      ILE 170 358.502   3.200   0.723
 1334   2HD1  ILE 170          HD12      ILE 170 359.198   2.710   2.266
 1335   3HD1  ILE 170          HD13      ILE 170 357.887   1.771   1.551
 1336    H    ASP 171           HN       ASP 171 363.995   1.826  -1.934
 1337    HA   ASP 171           HA       ASP 171 365.904   1.719   0.304
 1338   1HB   ASP 171          HB2       ASP 171 367.493   0.777  -1.113
 1339   2HB   ASP 171          HB1       ASP 171 365.997   0.049  -1.678
 1340    H    LYS 172           HN       LYS 172 368.111   2.814  -0.942
 1341    HA   LYS 172           HA       LYS 172 369.160   4.784  -1.381
 1342   1HB   LYS 172          HB2       LYS 172 366.610   5.026  -2.822
 1343   2HB   LYS 172          HB1       LYS 172 367.344   6.568  -2.407
 1344   1HG   LYS 172          HG2       LYS 172 369.380   5.948  -3.551
 1345   2HG   LYS 172          HG1       LYS 172 368.724   4.347  -3.899
 1346   1HD   LYS 172          HD2       LYS 172 366.935   5.385  -5.225
 1347   2HD   LYS 172          HD1       LYS 172 367.625   6.976  -4.895
 1348   1HE   LYS 172          HE2       LYS 172 369.311   4.836  -6.127
 1349   2HE   LYS 172          HE1       LYS 172 368.185   5.754  -7.126
 1350   1HZ   LYS 172          HZ1       LYS 172 370.345   6.779  -7.165
 1351   2HZ   LYS 172          HZ2       LYS 172 370.387   6.873  -5.477
 1352   3HZ   LYS 172          HZ3       LYS 172 369.269   7.797  -6.347
 1353    H    LEU 173           HN       LEU 173 368.228   4.346   1.179
 1354    HA   LEU 173           HA       LEU 173 367.660   7.097   2.048
 1355   1HB   LEU 173          HB2       LEU 173 366.604   4.748   3.578
 1356   2HB   LEU 173          HB1       LEU 173 366.102   6.426   3.651
 1357    HG   LEU 173           HG       LEU 173 365.498   5.764   1.057
 1358   1HD1  LEU 173          HD11      LEU 173 366.035   3.411   1.487
 1359   2HD1  LEU 173          HD12      LEU 173 364.327   3.642   1.113
 1360   3HD1  LEU 173          HD13      LEU 173 364.838   3.383   2.781
 1361   1HD2  LEU 173          HD21      LEU 173 363.390   6.299   1.678
 1362   2HD2  LEU 173          HD22      LEU 173 364.199   6.792   3.165
 1363   3HD2  LEU 173          HD23      LEU 173 363.408   5.219   3.072
 1364    H    ILE 174           HN       ILE 174 368.381   7.583   4.227
 1365    HA   ILE 174           HA       ILE 174 370.822   6.099   4.896
 1366    HB   ILE 174           HB       ILE 174 371.446   8.097   6.217
 1367   1HG1  ILE 174          HG12      ILE 174 368.984   9.348   4.980
 1368   2HG1  ILE 174          HG11      ILE 174 369.117   8.859   6.666
 1369   1HG2  ILE 174          HG21      ILE 174 371.762   7.717   3.610
 1370   2HG2  ILE 174          HG22      ILE 174 372.318   9.182   4.418
 1371   3HG2  ILE 174          HG23      ILE 174 370.789   9.186   3.538
 1372   1HD1  ILE 174          HD11      ILE 174 369.454  11.235   6.452
 1373   2HD1  ILE 174          HD12      ILE 174 370.752  10.974   5.286
 1374   3HD1  ILE 174          HD13      ILE 174 370.954  10.460   6.961
 1375    HA   PRO 175           HA       PRO 175 369.459   4.168   8.612
 1376   1HB   PRO 175          HB2       PRO 175 371.495   5.939   9.919
 1377   2HB   PRO 175          HB1       PRO 175 371.183   4.217  10.169
 1378   1HG   PRO 175          HG2       PRO 175 373.214   5.041   8.639
 1379   2HG   PRO 175          HG1       PRO 175 372.273   3.597   8.227
 1380   1HD   PRO 175          HD2       PRO 175 372.315   6.247   6.925
 1381   2HD   PRO 175          HD1       PRO 175 371.840   4.671   6.264
 1382    H    ASN 176           HN       ASN 176 368.241   4.568  10.511
 1383    HA   ASN 176           HA       ASN 176 366.760   5.664  11.846
 1384   1HB   ASN 176          HB2       ASN 176 368.555   6.973  12.700
 1385   2HB   ASN 176          HB1       ASN 176 368.655   7.928  11.237
 1386   1HD2  ASN 176          HD21      ASN 176 368.467   9.845  12.398
 1387   2HD2  ASN 176          HD22      ASN 176 366.966  10.362  13.079
 1388    H    THR 177           HN       THR 177 365.452   5.107   9.879
 1389    HA   THR 177           HA       THR 177 364.179   7.523   8.796
 1390    HB   THR 177           HB       THR 177 364.207   5.039   7.174
 1391    HG1  THR 177           HG1      THR 177 366.256   5.561   6.340
 1392   1HG2  THR 177          HG21      THR 177 364.972   7.542   5.904
 1393   2HG2  THR 177          HG22      THR 177 363.397   7.612   6.695
 1394   3HG2  THR 177          HG23      THR 177 363.715   6.383   5.472
 1395    H    ASN 178           HN       ASN 178 362.615   7.128  10.607
 1396    HA   ASN 178           HA       ASN 178 361.066   4.710  10.513
 1397   1HB   ASN 178          HB2       ASN 178 359.709   5.691  12.240
 1398   2HB   ASN 178          HB1       ASN 178 361.403   5.973  12.605
 1399   1HD2  ASN 178          HD21      ASN 178 362.231   8.052  12.503
 1400   2HD2  ASN 178          HD22      ASN 178 361.218   9.449  12.430
 1401    H    TYR 179           HN       TYR 179 359.772   4.364   8.771
 1402    HA   TYR 179           HA       TYR 179 358.380   6.698   7.649
 1403   1HB   TYR 179          HB2       TYR 179 358.155   5.195   5.598
 1404   2HB   TYR 179          HB1       TYR 179 359.728   5.882   5.957
 1405    HD1  TYR 179           HD1      TYR 179 357.737   2.812   5.926
 1406    HD2  TYR 179           HD2      TYR 179 361.536   4.549   6.702
 1407    HE1  TYR 179           HE1      TYR 179 358.731   0.578   5.953
 1408    HE2  TYR 179           HE2      TYR 179 362.562   2.339   6.743
 1409    HH   TYR 179           HH       TYR 179 360.603  -0.606   6.441
 1410    H    CYS 180           HN       CYS 180 356.285   6.766   7.378
 1411    HA   CYS 180           HA       CYS 180 354.688   4.510   8.316
 1412   1HB   CYS 180          HB2       CYS 180 354.276   7.421   8.146
 1413   2HB   CYS 180          HB1       CYS 180 352.883   6.451   7.723
 1414    H    VAL 181           HN       VAL 181 354.412   3.061   6.730
 1415    HA   VAL 181           HA       VAL 181 354.167   3.998   3.983
 1416    HB   VAL 181           HB       VAL 181 354.706   1.266   5.143
 1417   1HG1  VAL 181          HG11      VAL 181 354.977   0.964   2.435
 1418   2HG1  VAL 181          HG12      VAL 181 353.522   1.951   2.556
 1419   3HG1  VAL 181          HG13      VAL 181 353.606   0.400   3.390
 1420   1HG2  VAL 181          HG21      VAL 181 356.391   2.393   3.022
 1421   2HG2  VAL 181          HG22      VAL 181 356.840   1.597   4.530
 1422   3HG2  VAL 181          HG23      VAL 181 356.395   3.304   4.531
 1423    H    SER 182           HN       SER 182 352.258   4.310   3.128
 1424    HA   SER 182           HA       SER 182 349.949   2.893   4.246
 1425   1HB   SER 182          HB2       SER 182 349.767   5.366   4.126
 1426   2HB   SER 182          HB1       SER 182 349.977   5.280   2.378
 1427    HG   SER 182           HG       SER 182 347.836   4.303   3.941
 1428    H    VAL 183           HN       VAL 183 348.298   2.213   2.644
 1429    HA   VAL 183           HA       VAL 183 349.552   1.253   0.147
 1430    HB   VAL 183           HB       VAL 183 347.583  -0.272   1.813
 1431   1HG1  VAL 183          HG11      VAL 183 347.993  -2.112   0.422
 1432   2HG1  VAL 183          HG12      VAL 183 349.443  -1.373  -0.259
 1433   3HG1  VAL 183          HG13      VAL 183 347.854  -0.733  -0.668
 1434   1HG2  VAL 183          HG21      VAL 183 349.647  -1.732   2.352
 1435   2HG2  VAL 183          HG22      VAL 183 349.423  -0.226   3.245
 1436   3HG2  VAL 183          HG23      VAL 183 350.580  -0.297   1.917
 1437    H    TYR 184           HN       TYR 184 348.343   3.188  -0.723
 1438    HA   TYR 184           HA       TYR 184 345.474   2.651  -0.963
 1439   1HB   TYR 184          HB2       TYR 184 345.072   4.931  -1.232
 1440   2HB   TYR 184          HB1       TYR 184 346.312   4.870  -0.001
 1441    HD1  TYR 184           HD1      TYR 184 348.146   6.305  -0.183
 1442    HD2  TYR 184           HD2      TYR 184 345.944   5.266  -3.680
 1443    HE1  TYR 184           HE1      TYR 184 349.431   7.937  -1.485
 1444    HE2  TYR 184           HE2      TYR 184 347.248   6.885  -4.989
 1445    HH   TYR 184           HH       TYR 184 348.687   9.261  -4.057
 1446    H    LEU 185           HN       LEU 185 344.489   2.580  -2.982
 1447    HA   LEU 185           HA       LEU 185 346.295   1.930  -5.164
 1448   1HB   LEU 185          HB2       LEU 185 344.389   1.000  -6.267
 1449   2HB   LEU 185          HB1       LEU 185 344.391   0.461  -4.598
 1450    HG   LEU 185           HG       LEU 185 342.788   2.561  -4.300
 1451   1HD1  LEU 185          HD11      LEU 185 342.489   3.521  -6.322
 1452   2HD1  LEU 185          HD12      LEU 185 341.268   2.259  -6.485
 1453   3HD1  LEU 185          HD13      LEU 185 342.864   2.042  -7.205
 1454   1HD2  LEU 185          HD21      LEU 185 342.506  -0.182  -4.376
 1455   2HD2  LEU 185          HD22      LEU 185 341.274   0.392  -5.498
 1456   3HD2  LEU 185          HD23      LEU 185 341.294   0.977  -3.834
 1457    H    GLU 186           HN       GLU 186 345.681   2.623  -7.390
 1458    HA   GLU 186           HA       GLU 186 344.488   5.284  -7.534
 1459   1HB   GLU 186          HB2       GLU 186 346.405   6.096  -8.910
 1460   2HB   GLU 186          HB1       GLU 186 346.817   5.797  -7.228
 1461   1HG   GLU 186          HG2       GLU 186 347.864   3.704  -7.816
 1462   2HG   GLU 186          HG1       GLU 186 347.367   3.899  -9.497
 1463    H    HIS 187           HN       HIS 187 343.136   5.385  -9.199
 1464    HA   HIS 187           HA       HIS 187 343.278   3.318 -11.257
 1465   1HB   HIS 187          HB2       HIS 187 341.149   4.286  -9.881
 1466   2HB   HIS 187          HB1       HIS 187 341.073   5.285 -11.330
 1467    HD1  HIS 187           HD1      HIS 187 340.699   4.021 -13.609
 1468    HD2  HIS 187           HD2      HIS 187 340.365   1.657 -10.208
 1469    HE1  HIS 187           HE1      HIS 187 339.572   1.906 -14.369
 1470    HE2  HIS 187           HE2      HIS 187 339.303   0.527 -12.277
 1471    H    SER 188           HN       SER 188 342.991   6.852 -11.001
 1472    HA   SER 188           HA       SER 188 344.820   7.447 -13.004
 1473   1HB   SER 188          HB2       SER 188 342.605   6.373 -14.198
 1474   2HB   SER 188          HB1       SER 188 342.228   8.094 -14.248
 1475    HG   SER 188           HG       SER 188 343.875   6.738 -15.815
 1476    H    ASP 189           HN       ASP 189 344.095   8.433 -10.475
 1477    HA   ASP 189           HA       ASP 189 344.004  11.221 -11.029
 1478   1HB   ASP 189          HB2       ASP 189 341.496   9.867 -10.473
 1479   2HB   ASP 189          HB1       ASP 189 341.831  11.123  -9.286
 1480    H    GLU 190           HN       GLU 190 344.006  12.534  -9.001
 1481    HA   GLU 190           HA       GLU 190 345.475  11.082  -6.913
 1482   1HB   GLU 190          HB2       GLU 190 346.244  13.293  -8.210
 1483   2HB   GLU 190          HB1       GLU 190 345.326  14.053  -6.918
 1484   1HG   GLU 190          HG2       GLU 190 346.762  13.310  -5.276
 1485   2HG   GLU 190          HG1       GLU 190 347.369  11.982  -6.263
 1486    H    GLN 191           HN       GLN 191 342.541  11.129  -7.227
 1487    HA   GLN 191           HA       GLN 191 341.850  12.339  -4.633
 1488   1HB   GLN 191          HB2       GLN 191 340.426  12.318  -7.235
 1489   2HB   GLN 191          HB1       GLN 191 339.436  12.096  -5.799
 1490   1HG   GLN 191          HG2       GLN 191 340.679  14.186  -4.916
 1491   2HG   GLN 191          HG1       GLN 191 341.082  14.451  -6.612
 1492   1HE2  GLN 191          HE21      GLN 191 339.799  15.930  -7.436
 1493   2HE2  GLN 191          HE22      GLN 191 338.098  16.071  -7.171
 1494    H    ALA 192           HN       ALA 192 342.299   9.459  -6.293
 1495    HA   ALA 192           HA       ALA 192 340.323   7.968  -4.742
 1496   1HB   ALA 192          HB1       ALA 192 341.850   6.188  -6.276
 1497   2HB   ALA 192          HB2       ALA 192 341.616   7.606  -7.300
 1498   3HB   ALA 192          HB3       ALA 192 340.220   6.767  -6.623
 1499    H    VAL 193           HN       VAL 193 342.328   9.201  -3.231
 1500    HA   VAL 193           HA       VAL 193 344.401   7.224  -2.806
 1501    HB   VAL 193           HB       VAL 193 344.891   8.883  -0.807
 1502   1HG1  VAL 193          HG11      VAL 193 346.021  10.238  -2.950
 1503   2HG1  VAL 193          HG12      VAL 193 345.796   8.586  -3.525
 1504   3HG1  VAL 193          HG13      VAL 193 346.718   8.890  -2.052
 1505   1HG2  VAL 193          HG21      VAL 193 343.908  10.864  -2.809
 1506   2HG2  VAL 193          HG22      VAL 193 344.234  11.068  -1.085
 1507   3HG2  VAL 193          HG23      VAL 193 342.789  10.206  -1.612
 1508    H    ILE 194           HN       ILE 194 343.264   5.513  -2.034
 1509    HA   ILE 194           HA       ILE 194 341.848   5.688   0.492
 1510    HB   ILE 194           HB       ILE 194 342.687   3.088  -0.760
 1511   1HG1  ILE 194          HG12      ILE 194 341.715   4.383  -2.592
 1512   2HG1  ILE 194          HG11      ILE 194 340.609   3.106  -2.096
 1513   1HG2  ILE 194          HG21      ILE 194 341.677   2.776   1.325
 1514   2HG2  ILE 194          HG22      ILE 194 340.378   2.481   0.169
 1515   3HG2  ILE 194          HG23      ILE 194 340.464   4.019   1.025
 1516   1HD1  ILE 194          HD11      ILE 194 339.353   5.090  -2.497
 1517   2HD1  ILE 194          HD12      ILE 194 340.412   6.034  -1.450
 1518   3HD1  ILE 194          HD13      ILE 194 339.368   4.792  -0.759
 1519    H    LYS 195           HN       LYS 195 344.021   6.745   1.149
 1520    HA   LYS 195           HA       LYS 195 346.227   5.044   1.730
 1521   1HB   LYS 195          HB2       LYS 195 346.628   7.372   1.365
 1522   2HB   LYS 195          HB1       LYS 195 345.497   7.832   2.625
 1523   1HG   LYS 195          HG2       LYS 195 347.229   6.339   4.056
 1524   2HG   LYS 195          HG1       LYS 195 348.303   6.959   2.804
 1525   1HD   LYS 195          HD2       LYS 195 346.455   8.748   4.359
 1526   2HD   LYS 195          HD1       LYS 195 348.079   8.350   4.925
 1527   1HE   LYS 195          HE2       LYS 195 349.030   9.262   2.875
 1528   2HE   LYS 195          HE1       LYS 195 347.413   9.624   2.272
 1529   1HZ   LYS 195          HZ1       LYS 195 347.200  11.399   3.639
 1530   2HZ   LYS 195          HZ2       LYS 195 348.886  11.413   3.510
 1531   3HZ   LYS 195          HZ3       LYS 195 348.148  10.732   4.871
 1532    H    SER 196           HN       SER 196 345.707   3.336   2.925
 1533    HA   SER 196           HA       SER 196 344.019   3.427   5.214
 1534   1HB   SER 196          HB2       SER 196 345.165   1.153   5.686
 1535   2HB   SER 196          HB1       SER 196 344.208   1.307   4.215
 1536    HG   SER 196           HG       SER 196 346.487   0.382   4.158
 1537    HA   PRO 197           HA       PRO 197 346.510   4.710   8.618
 1538   1HB   PRO 197          HB2       PRO 197 346.340   1.964   9.752
 1539   2HB   PRO 197          HB1       PRO 197 345.974   3.519  10.506
 1540   1HG   PRO 197          HG2       PRO 197 344.012   1.890   9.709
 1541   2HG   PRO 197          HG1       PRO 197 343.872   3.649   9.536
 1542   1HD   PRO 197          HD2       PRO 197 344.415   1.577   7.464
 1543   2HD   PRO 197          HD1       PRO 197 343.527   3.107   7.324
 1544    H    LEU 198           HN       LEU 198 348.530   5.016   7.890
 1545    HA   LEU 198           HA       LEU 198 350.200   3.248   6.663
 1546   1HB   LEU 198          HB2       LEU 198 351.175   5.397   8.539
 1547   2HB   LEU 198          HB1       LEU 198 352.078   4.642   7.244
 1548    HG   LEU 198           HG       LEU 198 349.704   5.722   6.167
 1549   1HD1  LEU 198          HD11      LEU 198 351.204   7.443   8.092
 1550   2HD1  LEU 198          HD12      LEU 198 349.460   7.328   7.828
 1551   3HD1  LEU 198          HD13      LEU 198 350.477   8.167   6.654
 1552   1HD2  LEU 198          HD21      LEU 198 351.128   6.602   4.595
 1553   2HD2  LEU 198          HD22      LEU 198 352.106   5.287   5.245
 1554   3HD2  LEU 198          HD23      LEU 198 352.386   6.943   5.781
 1555    H    LYS 199           HN       LYS 199 352.360   2.772   7.432
 1556    HA   LYS 199           HA       LYS 199 352.369   1.446  10.066
 1557   1HB   LYS 199          HB2       LYS 199 352.048  -0.188   8.176
 1558   2HB   LYS 199          HB1       LYS 199 353.595   0.334   7.529
 1559   1HG   LYS 199          HG2       LYS 199 354.774  -0.814   9.062
 1560   2HG   LYS 199          HG1       LYS 199 353.589  -0.554  10.340
 1561   1HD   LYS 199          HD2       LYS 199 352.598  -2.227   8.162
 1562   2HD   LYS 199          HD1       LYS 199 354.006  -2.909   8.978
 1563   1HE   LYS 199          HE2       LYS 199 351.676  -3.499   9.876
 1564   2HE   LYS 199          HE1       LYS 199 352.917  -3.016  11.032
 1565   1HZ   LYS 199          HZ1       LYS 199 351.896  -1.026  11.438
 1566   2HZ   LYS 199          HZ2       LYS 199 350.538  -1.985  11.125
 1567   3HZ   LYS 199          HZ3       LYS 199 351.141  -0.958   9.925
 1568    H    CYS 200           HN       CYS 200 353.832   2.598  11.216
 1569    HA   CYS 200           HA       CYS 200 355.973   3.927   9.769
 1570   1HB   CYS 200          HB2       CYS 200 354.508   4.417  12.240
 1571   2HB   CYS 200          HB1       CYS 200 356.243   4.665  12.409
 1572    H    THR 201           HN       THR 201 357.134   1.898   9.351
 1573    HA   THR 201           HA       THR 201 358.392   0.683  11.672
 1574    HB   THR 201           HB       THR 201 357.470  -0.483   9.441
 1575    HG1  THR 201           HG1      THR 201 358.022  -1.797  11.033
 1576   1HG2  THR 201          HG21      THR 201 360.320  -0.867   8.861
 1577   2HG2  THR 201          HG22      THR 201 359.629   0.656   8.319
 1578   3HG2  THR 201          HG23      THR 201 358.928  -0.860   7.779
 1579    H    LEU 202           HN       LEU 202 360.306   1.338  12.409
 1580    HA   LEU 202           HA       LEU 202 361.929   3.110  10.755
 1581   1HB   LEU 202          HB2       LEU 202 361.316   3.781  13.033
 1582   2HB   LEU 202          HB1       LEU 202 362.169   2.395  13.669
 1583    HG   LEU 202           HG       LEU 202 364.283   3.323  13.191
 1584   1HD1  LEU 202          HD11      LEU 202 364.791   4.722  11.526
 1585   2HD1  LEU 202          HD12      LEU 202 363.442   5.791  11.880
 1586   3HD1  LEU 202          HD13      LEU 202 363.187   4.350  10.900
 1587   1HD2  LEU 202          HD21      LEU 202 363.999   5.748  14.020
 1588   2HD2  LEU 202          HD22      LEU 202 363.539   4.413  15.081
 1589   3HD2  LEU 202          HD23      LEU 202 362.301   5.306  14.192
 1590    H    LEU 203           HN       LEU 203 364.382   2.866  11.026
 1591    HA   LEU 203           HA       LEU 203 365.195   0.045  10.843
 1592   1HB   LEU 203          HB2       LEU 203 367.147   1.274   9.494
 1593   2HB   LEU 203          HB1       LEU 203 365.708   0.647   8.720
 1594    HG   LEU 203           HG       LEU 203 365.316   3.378   9.600
 1595   1HD1  LEU 203          HD11      LEU 203 367.899   3.038   8.970
 1596   2HD1  LEU 203          HD12      LEU 203 367.001   4.519   8.638
 1597   3HD1  LEU 203          HD13      LEU 203 367.229   3.322   7.364
 1598   1HD2  LEU 203          HD21      LEU 203 364.596   1.640   7.462
 1599   2HD2  LEU 203          HD22      LEU 203 365.275   3.121   6.788
 1600   3HD2  LEU 203          HD23      LEU 203 363.909   3.204   7.899
 1601    HA   PRO 204           HA       PRO 204 368.040   0.818  14.136
 1602   1HB   PRO 204          HB2       PRO 204 370.513   0.196  13.124
 1603   2HB   PRO 204          HB1       PRO 204 369.348  -1.034  13.640
 1604   1HG   PRO 204          HG2       PRO 204 369.802   0.090  10.911
 1605   2HG   PRO 204          HG1       PRO 204 369.748  -1.615  11.371
 1606   1HD   PRO 204          HD2       PRO 204 367.634  -0.506  10.281
 1607   2HD   PRO 204          HD1       PRO 204 367.402  -1.510  11.729
 1608    HA   PRO 205           HA       PRO 205 368.779   4.937  12.406
 1609   1HB   PRO 205          HB2       PRO 205 368.673   6.270  14.757
 1610   2HB   PRO 205          HB1       PRO 205 367.244   5.742  13.842
 1611   1HG   PRO 205          HG2       PRO 205 368.582   4.395  16.176
 1612   2HG   PRO 205          HG1       PRO 205 366.858   4.751  15.936
 1613   1HD   PRO 205          HD2       PRO 205 367.858   2.323  15.409
 1614   2HD   PRO 205          HD1       PRO 205 366.596   3.042  14.388
 1615    H    GLY 206           HN       GLY 206 370.660   5.375  11.760
 1616   1HA   GLY 206          HA2       GLY 206 373.027   4.554  13.157
 1617   2HA   GLY 206          HA1       GLY 206 372.955   5.353  11.599
 1618    H    GLN 207           HN       GLN 207 371.365   6.783  14.363
 1619    HA   GLN 207           HA       GLN 207 373.173   9.055  14.157
 1620   1HB   GLN 207          HB2       GLN 207 371.522  10.263  15.466
 1621   2HB   GLN 207          HB1       GLN 207 370.739   9.443  14.122
 1622   1HG   GLN 207          HG2       GLN 207 370.336   7.562  15.888
 1623   2HG   GLN 207          HG1       GLN 207 370.587   8.872  17.040
 1624   1HE2  GLN 207          HE21      GLN 207 369.207  10.751  16.847
 1625   2HE2  GLN 207          HE22      GLN 207 367.598  10.565  16.246
 1626    H    GLU 208           HN       GLU 208 374.272   6.725  15.326
 1627    HA   GLU 208           HA       GLU 208 374.222   6.937  18.178
 1628   1HB   GLU 208          HB2       GLU 208 376.343   5.556  16.539
 1629   2HB   GLU 208          HB1       GLU 208 375.830   5.187  18.180
 1630   1HG   GLU 208          HG2       GLU 208 374.272   4.733  15.649
 1631   2HG   GLU 208          HG1       GLU 208 374.985   3.510  16.699
 1632    H    SER 209           HN       SER 209 377.015   6.670  18.727
 1633    HA   SER 209           HA       SER 209 377.734   9.323  19.162
 1634   1HB   SER 209          HB2       SER 209 379.827   8.496  19.945
 1635   2HB   SER 209          HB1       SER 209 378.640   7.248  20.324
 1636    HG   SER 209           HG       SER 209 380.044   6.031  19.316
 1637    H    GLU 210           HN       GLU 210 380.356   9.640  18.389
 1638    HA   GLU 210           HA       GLU 210 380.540   9.378  15.512
 1639   1HB   GLU 210          HB2       GLU 210 380.965  11.904  15.310
 1640   2HB   GLU 210          HB1       GLU 210 379.298  11.360  15.435
 1641   1HG   GLU 210          HG2       GLU 210 379.420  11.848  17.888
 1642   2HG   GLU 210          HG1       GLU 210 380.989  12.595  17.590
 1643    H    PHE 211           HN       PHE 211 382.535   8.659  15.249
 1644    HA   PHE 211           HA       PHE 211 384.731  10.058  16.600
 1645   1HB   PHE 211          HB2       PHE 211 384.691   7.054  16.322
 1646   2HB   PHE 211          HB1       PHE 211 385.808   8.041  17.258
 1647    HD1  PHE 211           HD1      PHE 211 384.181   9.771  18.826
 1648    HD2  PHE 211           HD2      PHE 211 383.467   5.722  17.729
 1649    HE1  PHE 211           HE1      PHE 211 382.766   9.485  20.818
 1650    HE2  PHE 211           HE2      PHE 211 382.049   5.429  19.718
 1651    HZ   PHE 211           HZ       PHE 211 381.697   7.312  21.266
 1652    H    SER 212           HN       SER 212 386.838   8.594  15.618
 1653    HA   SER 212           HA       SER 212 387.169   9.641  13.047
 1654   1HB   SER 212          HB2       SER 212 389.125   9.172  14.321
 1655   2HB   SER 212          HB1       SER 212 388.662   7.485  14.542
 1656    HG   SER 212           HG       SER 212 389.043   7.130  12.358