*HEADER    DNA                                     11-SEP-02   1MP7              
*TITLE     A THIRD COMPLEX OF POST-ACTIVATED NEOCARZINOSTATIN                    
*TITLE    2 CHROMOPHORE WITH DNA. BULGE DNA BINDING FROM THE MINOR               
*TITLE    3 GROOVE                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*GP*CP*CP*AP*GP*AP*GP*AP*GP*C)-3';                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    DNA-DRUG COMPLEX, BULGE DNA, RECOGNITION OF ANTICANCER                
*EXPDTA    NMR, 9 STRUCTURES                                                     
*AUTHOR    Y.KWON, Z.XI, L.S.KAPPEN, I.H.GOLDBERG, X.GAO                         
*REVDAT   1   18-FEB-03 1MP7    0                                                

remarks DNA intra-residue distances calculated from NMR experiment 

assign (resid   1 and name  H4' ) (resid   1 and name   H8)  4.80  0.30  0.50 
assign (resid   1 and name  H3' ) (resid   1 and name   H8)  4.00  0.50  0.50 
assign (resid   1 and name H2'' ) (resid   1 and name   H8)  3.57  0.50  0.50
assign (resid   1 and name  H2' ) (resid   1 and name   H8)  2.10  0.50  0.50
assign (resid   1 and name  H1' ) (resid   1 and name   H8)  3.90  0.60  0.50 

assign (resid   2 and name  H1' ) (resid   2 and name   H6)  3.50  0.30  0.70
assign (resid   2 and name H2'' ) (resid   2 and name   H6)  3.30  0.50  0.50
assign (resid   2 and name  H2' ) (resid   2 and name   H6)  2.00  0.50  1.40
assign (resid   2 and name  H3' ) (resid   2 and name   H6)  3.30  1.00  0.50
assign (resid   2 and name  H4' ) (resid   2 and name   H6)  4.50  1.50  1.50 
assign (resid   2 and name  H4' ) (resid   2 and name  H5)  5.00  0.20  5.00 
assign (resid   2 and name  H3' ) (resid   2 and name  H5)  5.00  0.20  5.00 
assign (resid   2 and name  H2' ) (resid   2 and name  H5)  4.00  0.50  1.50 
assign (resid   2 and name H2'' ) (resid   2 and name  H5)  5.00  0.20  5.00 
assign (resid   2 and name  H1' ) (resid   2 and name  H5)  5.00  0.20  5.00 

assign (resid   3 and name  H1' ) (resid   3 and name  H6)  3.03  1.22  1.80
assign (resid   3 and name H2'' ) (resid   3 and name  H6)  2.36  0.50  1.40
assign (resid   3 and name  H2' ) (resid   3 and name  H6)  2.90  1.10  1.40
assign (resid   3 and name  H3' ) (resid   3 and name  H6)  3.04  1.20  1.40
assign (resid   3 and name  H4' ) (resid   3 and name  H6)  5.01  3.21  0.49
assign (resid   3 and name  H4' ) (resid   3 and name  H5)  5.00  0.50  5.00 
assign (resid   3 and name  H3' ) (resid   3 and name  H5)  5.00  0.50  5.00 
assign (resid   3 and name H2'' ) (resid   3 and name  H5)  4.00  0.50  1.40  
assign (resid   3 and name  H2' ) (resid   3 and name  H5)  3.65  1.85  1.85 
assign (resid   3 and name  H1' ) (resid   3 and name  H5)  5.00  0.50  5.00 

assign (resid   4 and name  H1' ) (resid   4 and name  H8)  3.73  1.40  1.40
assign (resid   4 and name H2'' ) (resid   4 and name  H8)  2.36  0.55  1.40
assign (resid   4 and name  H2' ) (resid   4 and name  H8)  2.80  1.00  2.04
assign (resid   4 and name  H3' ) (resid   4 and name  H8)  3.17  1.30  1.70
assign (resid   4 and name  H4' ) (resid   4 and name  H8)  3.42  1.60  2.08

assign (resid   5 and name  H1' ) (resid   5 and name  H8)  3.26  1.40  1.40
assign (resid   5 and name H2'' ) (resid   5 and name  H8)  3.40  0.80  1.40 
assign (resid   5 and name  H2' ) (resid   5 and name  H8)  2.50  0.30  0.60
assign (resid   5 and name  H3' ) (resid   5 and name  H8)  3.80  0.60  1.08
assign (resid   5 and name  H4' ) (resid   5 and name  H8)  4.80  0.30  0.50 


assign (resid   6 and name  H1' ) (resid   6 and name  H8)  3.79  1.80  1.50
assign (resid   6 and name H2'' ) (resid   6 and name  H8)  4.50  0.50  1.50
assign (resid   6 and name  H2' ) (resid   6 and name  H8)  4.00  1.50  1.50
assign (resid   6 and name  H3' ) (resid   6 and name  H8)  4.20  1.30  1.50
assign (resid   6 and name  H4' ) (resid   6 and name  H8)  5.00  1.50  1.50

assign (resid   7 and name  H1' ) (resid   7 and name  H8)  5.24  1.40  0.26
assign (resid   7 and name  H2' ) (resid   7 and name  H8)  3.32  1.40  1.40
assign (resid   7 and name H2'' ) (resid   7 and name  H8)  3.07  1.20  1.40
assign (resid   7 and name  H3' ) (resid   7 and name  H8)  2.27  0.47  1.40
assign (resid   7 and name  H4' ) (resid   7 and name  H8)  3.52  1.40  1.40

assign (resid   8 and name  H1' ) (resid   8 and name  H8)  3.49  1.40  1.45
assign (resid   8 and name  H2' ) (resid   8 and name  H8)  2.67  0.80  1.40
assign (resid   8 and name H2'' ) (resid   8 and name  H8)  3.73  0.80  1.40
assign (resid   8 and name  H3' ) (resid   8 and name  H8)  3.92  0.40  1.40
assign (resid   8 and name  H4' ) (resid   8 and name  H8)  3.90  0.40  1.40
assign (resid   8 and name  H1' ) (resid   8 and name  H2)  4.57  0.30  0.50

assign (resid   9 and name  H1' ) (resid   9 and name  H8)  3.28  0.40  1.40
assign (resid   9 and name  H2' ) (resid   9 and name  H8)  3.65  0.80  1.80
assign (resid   9 and name H2'' ) (resid   9 and name  H8)  3.73  0.40  1.40
assign (resid   9 and name  H3' ) (resid   9 and name  H8)  2.76  0.56  1.40
assign (resid   9 and name  H4' ) (resid   9 and name  H8)  4.78  0.50  1.50 

assign (resid  10 and name  H1' ) (resid  10 and name  H6)  3.54  0.54  2.34
assign (resid  10 and name  H2' ) (resid  10 and name  H6)  2.26  0.46  2.00
assign (resid  10 and name H2'' ) (resid  10 and name  H6)  2.97  0.30  1.40
assign (resid  10 and name  H3' ) (resid  10 and name  H6)  2.67  0.87  2.13
assign (resid  10 and name  H4' ) (resid  10 and name  H6)  4.48  1.50  1.50
assign (resid  10 and name  H4' ) (resid  10 and name  H5)  5.00  0.50  5.00 
assign (resid  10 and name  H3' ) (resid  10 and name  H5)  5.00  0.50  5.00 
assign (resid  10 and name  H2' ) (resid  10 and name  H5)  5.00  0.50  5.00 
assign (resid  10 and name H2'' ) (resid  10 and name  H5)  5.00  0.50  5.00 
assign (resid  10 and name  H1' ) (resid  10 and name  H5)  5.00  0.50  5.00 

remarks DNA inter-base/sugar (i+1/i) checked against experimental data 
assign (resid   2 and name   H6 ) (resid   1 and name  H1')   3.07  0.50  1.40 
assign (resid   2 and name   H6 ) (resid   1 and name  H2')   4.50  0.50  1.40 
assign (resid   2 and name   H6 ) (resid   1 and name H2'')   2.95  0.50  1.0 
assign (resid   2 and name   H6 ) (resid   1 and name  H3')   4.79  0.40  0.70 

assign (resid   2 and name   H5 ) (resid   1 and name  H1')   4.00  0.50  1.87 
assign (resid   2 and name   H5 ) (resid   1 and name  H2')   3.00  0.30  1.40 
assign (resid   2 and name   H5 ) (resid   1 and name H2'')   2.58  0.30  1.40
assign (resid   2 and name   H5 ) (resid   1 and name  H3')   4.70  0.30  1.00 


assign (resid   3 and name   H6 ) (resid   2 and name  H1')   6.00  0.70  1.50 
assign (resid   3 and name   H6 ) (resid   2 and name  H2')   3.60  0.50  1.30 
assign (resid   3 and name   H6 ) (resid   2 and name H2'')   3.73  1.40  1.40 
assign (resid   3 and name   H6 ) (resid   2 and name  H3')   4.90  0.50  1.00 

assign (resid   3 and name   H5 ) (resid   2 and name  H1')   6.00  0.50  1.50 
assign (resid   3 and name   H5 ) (resid   2 and name  H2')   4.00  0.50  1.00 
assign (resid   3 and name   H5 ) (resid   2 and name H2'')   4.04  0.50  1.50 
assign (resid   3 and name   H5 ) (resid   2 and name  H3')   4.20  0.30  1.00 

assign (resid   4 and name   H8 ) (resid   3 and name  H1')   4.38  0.40  1.10 
assign (resid   4 and name   H8 ) (resid   3 and name  H2')   3.00  0.30  0.50 
assign (resid   4 and name   H8 ) (resid   3 and name H2'')   2.82  0.30  0.50 
assign (resid   4 and name   H8 ) (resid   3 and name  H3')   4.50  0.50  2.00 
assign (resid   4 and name   H2 ) (resid   5 and name  H1')   3.50  0.50  1.20 

assign (resid   5 and name   H8 ) (resid   4 and name  H1')   3.30  0.30  0.50 
assign (resid   5 and name   H8 ) (resid   4 and name  H2')   3.50  0.30  0.80 
assign (resid   5 and name   H8 ) (resid   4 and name H2'')   2.50  0.30  0.50 
assign (resid   5 and name   H8 ) (resid   4 and name  H3')   3.74  0.50  0.50 
assign (resid   5 and name   H8 ) (resid   4 and name  H4')   4.50  0.50  0.50  
assign (resid   6 and name   H8 ) (resid   5 and name  H2')   4.80  0.50  1.00 
assign (resid   6 and name   H8 ) (resid   5 and name H2'')   4.80  0.50  1.00 
assign (resid   6 and name   H8 ) (resid   5 and name  H3')   4.40  0.50  1.00 

assign (resid   7 and name   H8 ) (resid   6 and name  H1')   4.00  0.50  1.40 
assign (resid   7 and name   H8 ) (resid   6 and name  H2')   5.00  0.50  2.00 
assign (resid   7 and name   H8 ) (resid   6 and name H2'')   4.00  0.50  2.00 

assign (resid   8 and name   H8 ) (resid   7 and name  H1')   5.50  0.20  1.40  
assign (resid   8 and name   H8 ) (resid   7 and name  H2')   5.00  0.50  3.00 
assign (resid   8 and name   H8 ) (resid   7 and name H2'')   4.00  0.50  1.00 
assign (resid   8 and name   H8 ) (resid   7 and name  H3')   4.50  0.30  1.00 

assign (resid   9 and name   H8 ) (resid   8 and name  H1')   3.44  1.40  1.40 
assign (resid   9 and name   H8 ) (resid   8 and name  H2')   5.00  0.50  1.00 
assign (resid   9 and name   H8 ) (resid   8 and name H2'')   4.50  0.50  1.10 
assign (resid   9 and name   H8 ) (resid   8 and name  H3')   4.00  0.50  1.00 
assign (resid   9 and name   H8 ) (resid   8 and name  H4')   3.50  0.50  1.50 

assign (resid  10 and name   H6 ) (resid   9 and name  H1')   3.60  1.65  2.05 
assign (resid  10 and name   H6 ) (resid   9 and name  H2')   3.50  1.00  1.00 
assign (resid  10 and name   H6 ) (resid   9 and name H2'')   3.06  0.40  1.00
assign (resid  10 and name   H6 ) (resid   9 and name  H3')   4.00  0.50  1.00 

assign (resid  10 and name   H5 ) (resid   9 and name  H1')   5.00  0.50  1.50 
assign (resid  10 and name   H5 ) (resid   9 and name  H2')   3.40  0.50  1.00
assign (resid  10 and name   H5 ) (resid   9 and name H2'')   3.90  0.50  1.00 
assign (resid  10 and name   H5 ) (resid   9 and name  H3')   3.11  1.30  1.40 

remarks DNA inter-sugar/sugar (i/i+1)
assign (resid   2 and name  H3' ) (resid   1 and name  H1')   4.50  0.90  1.40 
assign (resid   4 and name  H5' ) (resid   3 and name  H1')   4.00  0.50  1.40 
assign (resid   4 and name  H5' ) (resid   3 and name  H4')   4.00  1.06  1.40 
assign (resid   4 and name  H4' ) (resid   3 and name H2'')   3.99  0.60  1.00 
assign (resid   4 and name  H4' ) (resid   3 and name  H1')   2.93  0.60  1.00 
assign (resid   4 and name  H1' ) (resid   5 and name  H1')   4.00  0.50  0.80 
assign (resid   8 and name  H4' ) (resid   9 and name  H4')   4.00  0.60  1.30 !from 400 ms 

remarks DNA inter-base/base (checked with experimental data)
assign (resid   4 and name   H8 ) (resid   3 and name   H6)   4.81  0.40  0.80 
assign (resid   8 and name   H2 ) (resid   9 and name   H8)   4.50  0.50  1.50 !from 400 ms
assign (resid   4 and name   H2 ) (resid   3 and name   H5)   4.50  0.50  1.40 
assign (resid   2 and name   H5 ) (resid   1 and name   H8)   4.50  0.50  0.50 
assign (resid   5 and name   H8 ) (resid   4 and name   H8)   4.40  0.30  1.00 
assign (resid  10 and name   H5 ) (resid   9 and name   H8)   4.60  0.40  1.00 

remarks DRUG intra-NCSi-glu distances calculated from NMR experiment

remark inter-subunit: THI-NMF
assign (resid  11 and name  H10 ) (resid  11 and name  H5')  3.90  0.20  0.20
assign (resid  11 and name  H10 ) (resid  11 and name H2M#)  4.40  0.20  0.20 
assign (resid  11 and name  H11 ) (resid  11 and name H7M#)  4.90  0.50  0.50 
assign (resid  11 and name  H11 ) (resid  11 and name H2M#)  3.37  0.20  0.20 
assign (resid  11 and name  H1' ) (resid  11 and name   H8)  3.20  0.20  0.20 
assign (resid  11 and name  H2' ) (resid  11 and name   H8)  4.93  0.20  0.30
assign (resid  11 and name  H2' ) (resid  11 and name  H10)  4.46  0.20  0.20
assign (resid  11 and name  H3' ) (resid  11 and name  H10)  4.60  0.20  0.20
assign (resid  11 and name  H5' ) (resid  11 and name   H8)  3.70  0.20  0.20 
assign (resid  11 and name   H8 ) (resid  11 and name HFM#)  3.80  0.20  0.20 
assign (resid  11 and name   H8 ) (resid  11 and name H7M#)  3.30  0.20  0.20 
assign (resid  11 and name   H6 ) (resid  11 and name HFM#)  4.30  0.20  0.50 

!NMF itself
assign (resid  11 and name  H1' ) (resid  11 and name H2M#)  3.80  0.20  0.20 
assign (resid  11 and name  H3' ) (resid  11 and name H2M#)  2.80  0.20  0.20 
assign (resid  11 and name  H2' ) (resid  11 and name H2M#)  3.80  0.20  0.20 
assign (resid  11 and name  H1' ) (resid  11 and name HFM#)  4.70  0.20  0.20 
assign (resid  11 and name  H2' ) (resid  11 and name HFM#)  4.80  0.20  0.20 
assign (resid  11 and name  H4' ) (resid  11 and name HFM#)  3.00  0.20  0.20 
assign (resid  11 and name  H5' ) (resid  11 and name HFM#)  2.50  0.20  0.20 

remark inter-subunit: THI-NPH
assign (resid  11 and name  H10 ) (resid  11 and name H8'')  2.85  0.20  0.20 
assign (resid  11 and name  H10 ) (resid  11 and name H7M#)  3.20  0.20  0.20 
assign (resid  11 and name H8'' ) (resid  11 and name  H11)  3.67  0.20  0.20 
assign (resid  11 and name H8'' ) (resid  11 and name  H12)  4.27  0.20  0.20
assign (resid  11 and name H8'' ) (resid  11 and name   H8)  4.43  0.20  0.20 

!NPH itself
assign (resid  11 and name H6'' ) (resid  11 and name HNM#)  2.93  0.20  0.20 
assign (resid  11 and name H4'' ) (resid  11 and name HNM#)  2.60  0.20  0.20 
assign (resid  11 and name H8'' ) (resid  11 and name H7M#)  2.35  0.20  0.20 

remark inter-subunit: NMF-NPH
assign (resid  11 and name  H1' ) (resid  11 and name H8'')  4.88  0.30  0.40 
assign (resid  11 and name  H1' ) (resid  11 and name H7M#)  4.90  0.50  0.30 

remark THI-CYC
assign (resid  11 and name  H13 ) (resid  11 and name   H2)  4.20  0.20  0.20 
assign (resid  11 and name  H13 ) (resid  11 and name   H5)  2.70  0.20  0.20 
assign (resid  11 and name H14B ) (resid  11 and name   H2)  2.35  0.20  0.20
assign (resid  11 and name H14A ) (resid  11 and name   H2)  3.75  0.20  0.20

remark inter-subunit: GSH-NMF, NPH
assign (resid  11 and name  H15 ) (resid  11 and name H2M#)  2.88  0.20  0.20 
assign (resid  11 and name  H16 ) (resid  11 and name H2M#)  4.00  0.30  0.40 
assign (resid  11 and name  HB2 ) (resid  11 and name   H2)  2.89  0.20  0.50 
assign (resid  11 and name  HB1 ) (resid  11 and name   H2)  3.50  0.30  0.50 
assign (resid  11 and name  HB2 ) (resid  11 and name  H12)  3.69  0.30  0.30 
assign (resid  11 and name  HB1 ) (resid  11 and name  H12)  2.80  0.30  0.30 
assign (resid  11 and name  HB2 ) (resid  11 and name  H11)  4.80  0.20  0.20 
assign (resid  11 and name  HB1 ) (resid  11 and name  H11)  4.43  0.20  0.20 
assign (resid  11 and name   HA ) (resid  11 and name  H4')  4.10  0.30  0.30
assign (resid  11 and name  H3' ) (resid  11 and name  H15)  3.70  0.20  0.30
assign (resid  11 and name   H1 ) (resid  11 and name  H2 )  4.70  0.30  0.30 
assign (resid  11 and name   H7 ) (resid  11 and name  H2 )  4.60  0.30  0.30 
assign (resid  11 and name   H7 ) (resid  11 and name  H13)  4.70  0.50  0.50 
assign (resid  11 and name   H1 ) (resid  11 and name H14B)  4.40  0.50  0.50 
assign (resid  11 and name   H7 ) (resid  11 and name H14B)  3.90  0.30  0.50

remark intra-subunit: GSH
assign (resid  11 and name  H18 ) (resid  11 and name  H16)  3.00  0.20  0.20 
assign (resid  11 and name  H18 ) (resid  11 and name  H15)  2.90  0.20  0.20
assign (resid  11 and name  H18 ) (resid  11 and name  H14)  2.48  0.20  0.20
assign (resid  11 and name  H16 ) (resid  11 and name  H14)  3.04  0.20  0.20
assign (resid  11 and name  H16 ) (resid  11 and name  H15)  2.50  0.20  0.20
assign (resid  11 and name  HB1 ) (resid  11 and name   HA)  3.04  0.20  0.20
assign (resid  11 and name  HB2 ) (resid  11 and name   HA)  2.50  0.20  0.20

remarks inter-DNA/Drug (checked with experimental data)

assign (resid  11 and name   H1 ) (resid  10 and name H5'')   3.32  0.40  0.40 
assign (resid  11 and name   H1 ) (resid  10 and name  H5')   4.60  0.40  0.50 
assign (resid  11 and name   H7 ) (resid  10 and name H5'')   4.50  0.40  0.90 
assign (resid  11 and name  H12 ) (resid   9 and name  H1')   3.51  0.20  0.30 
assign (resid  11 and name H3'' ) (resid   8 and name H5'')   4.22  0.30  0.50 
assign (resid  11 and name H3'' ) (resid   8 and name  H5')   5.50  0.30  0.50 
assign (resid  11 and name H18  ) (resid   8 and name H5'')   4.68  0.30  0.50 
assign (resid  11 and name H3'' ) (resid   8 and name   H2)   4.01  0.30  0.50 
assign (resid  11 and name H4'' ) (resid   8 and name   H2)   3.41  0.30  0.30 
assign (resid  11 and name HNM# ) (resid   8 and name   H2)   3.90  0.30  0.30 
assign (resid  11 and name H3'' ) (resid   8 and name  H4')   4.30  0.50  0.50 
assign (resid  11 and name H3'' ) (resid   8 and name  H1')   3.56  0.30  0.30 
assign (resid  11 and name H3'' ) (resid   7 and name   H8)   3.90  0.20  0.30
assign (resid  11 and name H4'' ) (resid   7 and name   H8)   4.20  0.20  0.30 
assign (resid  11 and name  H18 ) (resid   7 and name  H1')   4.50  0.20  0.20 
assign (resid  11 and name H2M# ) (resid   6 and name   H2)   2.90  0.30  0.50 
assign (resid  11 and name  H15 ) (resid   6 and name   H2)   4.80  0.20  0.60 
assign (resid  11 and name H2M# ) (resid   4 and name  H4')   4.50  0.20  0.30 
assign (resid  11 and name  H2' ) (resid   4 and name  H4')   2.50  0.40  0.30 
assign (resid  11 and name  H2' ) (resid   4 and name H5'')   2.50  0.20  0.30 
assign (resid  11 and name HFM# ) (resid   4 and name H5'')   4.80  0.20  0.80 
assign (resid  11 and name  H2' ) (resid   4 and name  H5')   2.50  0.20  0.50 
assign (resid  11 and name  H1' ) (resid   4 and name  H5')   4.30  0.20  0.50 
assign (resid  11 and name  H1' ) (resid   4 and name  H4')   3.50  0.30  0.30 
assign (resid  11 and name   H8 ) (resid   3 and name  H4')   2.80  0.20  0.50
assign (resid  11 and name   H8 ) (resid   3 and name  H1')   3.32  0.40  0.40 
assign (resid  11 and name   H8 ) (resid   3 and name  H5')   4.60  0.20  0.40 
assign (resid  11 and name   H8 ) (resid   3 and name H5'')   3.40  0.30  0.40 
assign (resid  11 and name   H6 ) (resid   3 and name  H5')   3.80  0.20  0.30 
assign (resid  11 and name   H6 ) (resid   3 and name  H4')   3.10  0.30  0.30 
assign (resid  11 and name   H6 ) (resid   3 and name H5'')   2.60  0.20  0.20 
assign (resid  11 and name H6'' ) (resid   3 and name   H5)   4.80  0.50  0.80 
assign (resid  11 and name  H1' ) (resid   3 and name  H1')   2.52  0.30  0.30 
assign (resid  11 and name  H1' ) (resid   3 and name  H4')   4.20  0.30  0.30 
assign (resid  11 and name  H1' ) (resid   3 and name  H2')   4.90  0.20  0.20 
assign (resid  11 and name  H1' ) (resid   3 and name H2'')   4.00  0.20  0.20 
assign (resid  11 and name HFM# ) (resid   3 and name  H4')   3.90  0.40  0.40 
assign (resid  11 and name   H5 ) (resid   2 and name  H1')   4.15  0.20  0.20
assign (resid  11 and name   H6 ) (resid   2 and name  H1')   3.35  0.30  0.30
assign (resid  11 and name   H6 ) (resid   2 and name H2'')   3.11  0.30  0.30 
assign (resid  11 and name   H6 ) (resid   2 and name  H2')   4.80  0.30  0.40
assign (resid  11 and name H7M# ) (resid   2 and name  H2')   2.88  0.30  0.40 
assign (resid  11 and name H7M# ) (resid   2 and name H2'')   3.40  0.30  0.40 
assign (resid  11 and name H6'' ) (resid   2 and name   H5)   3.37  0.50  0.80 

remarks inter-DNA/Drug from JR-NOESY
assign (resid   9 and name   H1 ) (resid  11 and name H7M#)   4.00  0.50  0.80
assign (resid  11 and name   H92) (resid   9 and name  H1')   4.50  0.30  1.00
assign (resid  11 and name   H92) (resid   8 and name  H5')   4.50  0.50  0.50
assign (resid  11 and name   H92) (resid   8 and name H5'')   3.50  0.50  0.50

remarks file source:/ud1/gao/1.quanta/ncs.dir/xplor/ncsidna.dih   
remarks dihedral restraints from NMR experimental data
assi (resid 11 and name C95) (resid 11 and name C94)
     (resid 11 and name C98) (resid 11 and name C99)  1  -55.00   5.00  2
assi (resid 11 and name C94) (resid 11 and name C98)
     (resid 11 and name C99) (resid 11 and name C97)  1   55.00   5.00  2
assi (resid 11 and name C98) (resid 11 and name C99)
     (resid 11 and name C97) (resid 11 and name O96)  1  -55.00   5.00  2
!W3
assi (resid 11 and name CA ) (resid 11 and name   C)
     (resid 11 and name N1 ) (resid 11 and name C21)  1  160.00   5.00  2
!W2
assi (resid 11 and name C18) (resid 11 and name C20)
     (resid 11 and name N  ) (resid 11 and name CA )  1  -146.00   5.00  2


remarks file: ncshab.dihedral1.tbl   05-05-00

remarks sugar pucker constraints (delta angle:C5'-C4'-C3'-O3')
remarks Aform 90, Bform 140
assi (resid  1 and name C5') (resid  1 and name C4')
     (resid  1 and name C3') (resid  1 and name O3')  1   123.00   5.00  2
assi (resid  2 and name C5') (resid  2 and name C4')
     (resid  2 and name C3') (resid  2 and name O3')  1   113.00   5.00  2
assi (resid  3 and name C5') (resid  3 and name C4')
     (resid  3 and name C3') (resid  3 and name O3')  1   128.00   5.00  2
assi (resid  4 and name C5') (resid  4 and name C4')
     (resid  4 and name C3') (resid  4 and name O3')  1   140.00   5.00  2
assi (resid  5 and name C5') (resid  5 and name C4')
     (resid  5 and name C3') (resid  5 and name O3')  1   131.00   5.00  2
assi (resid  6 and name C5') (resid  6 and name C4')
     (resid  6 and name C3') (resid  6 and name O3')  1   123.00   5.00  2
assi (resid  9 and name C5') (resid  9 and name C4')
     (resid  9 and name C3') (resid  9 and name O3')  1   120.00   5.00  2
assi (resid 10 and name C5') (resid 10 and name C4')
     (resid 10 and name C3') (resid 10 and name O3')  1   114.00   5.00  2


remarks beta angles (P-O5'-C5'-C4')
remarks Aform and Bform -148
assign (resid   2 and name P  )(resid   2 and name O5')
       (resid   2 and name C5')(resid   2 and name C4')  1   -175.00   5.00  2
assign (resid   3 and name P  )(resid   3 and name O5')
       (resid   3 and name C5')(resid   3 and name C4')  1   -169.00   10.00  2
assign (resid   4 and name P  )(resid   4 and name O5')
       (resid   4 and name C5')(resid   4 and name C4')  1   166.00   5.00  2
assign (resid   5 and name P  )(resid   5 and name O5')
       (resid   5 and name C5')(resid   5 and name C4')  1   170.00  30.00  2
assign (resid   6 and name P  )(resid   6 and name O5')
       (resid   6 and name C5')(resid   6 and name C4')  1   160.00  30.00  2
assign (resid   7 and name p  )(resid   7 and name O5')
       (resid   7 and name C5')(resid   7 and name C4')  1   -175.00   5.00  2
assign (resid   8 and name P  )(resid   8 and name O5')
       (resid   8 and name C5')(resid   8 and name C4')  1   -170.00  10.00  2
assign (resid   9 and name P  )(resid   9 and name O5')
       (resid   9 and name C5')(resid   9 and name C4')  1   -165.00   10.00  2
assign (resid  10 and name P  )(resid  10 and name O5')
       (resid  10 and name C5')(resid  10 and name C4')  1   175.00   5.00  2

remarks gamma angles (O5'-C5'-C4'-C3')
remarks typical B-form DNA: 60 (gauche +)
assign (resid   1 and name O5')(resid   1 and name C5')
       (resid   1 and name C4')(resid   1 and name C3')  1   59.00   5.00  2
assign (resid   2 and name O5')(resid   2 and name C5')
       (resid   2 and name C4')(resid   2 and name C3')  1   59.00   5.00  2
assign (resid   3 and name O5')(resid   3 and name C5')
       (resid   3 and name C4')(resid   3 and name C3')  1   69.00   5.00  2
assign (resid   4 and name O5')(resid   4 and name C5')
       (resid   4 and name C4')(resid   4 and name C3')  1   63.00   5.00  2
assign (resid   5 and name O5')(resid   5 and name C5')
       (resid   5 and name C4')(resid   5 and name C3')  1   95.00   5.00  2
assign (resid   6 and name O5')(resid   6 and name C5')
       (resid   6 and name C4')(resid   6 and name C3')  1   67.00   5.00  2
assign (resid   7 and name O5')(resid   7 and name C5')
       (resid   7 and name C4')(resid   7 and name C3')  1   61.00   5.00 2
assign (resid   8 and name O5')(resid   8 and name C5')
       (resid   8 and name C4')(resid   8 and name C3')  1   68.00   5.00  2
assign (resid   9 and name O5')(resid   9 and name C5')
       (resid   9 and name C4')(resid   9 and name C3')  1   57.00   5.00  2
assign (resid  10 and name O5')(resid  10 and name C5')
       (resid  10 and name C4')(resid  10 and name C3')  1   61.00   5.00  2



remarks epsi angles (C4'-C3'-O3'-P)
remarks Bform 160 for DNA
assign (resid   1 and name C4')(resid   1 and name C3')
       (resid   1 and name O3')(resid   2 and name P  )  1    170.00   5.00  2
assign (resid   2 and name C4')(resid   2 and name C3')
       (resid   2 and name O3')(resid   3 and name P  )  1    -161.00   5.00  2
assign (resid   3 and name C4')(resid   3 and name C3')
       (resid   3 and name O3')(resid   4 and name P  )  1     178.00   5.00  2
assign (resid   4 and name C4')(resid   4 and name C3')
       (resid   4 and name O3')(resid   5 and name P  )  1     163.00   5.00  2
assign (resid   5 and name C4')(resid   5 and name C3')
       (resid   5 and name O3')(resid   6 and name P  )  1    -164.00   5.00  2
assign (resid   6 and name C4')(resid   6 and name C3')
       (resid   6 and name O3')(resid   7 and name P  )  1     162.00   5.00  2
assign (resid   7 and name C4')(resid   7 and name C3')
       (resid   7 and name O3')(resid   8 and name P  )  1    -173.00   5.00  2
assign (resid   9 and name C4')(resid   9 and name C3')
       (resid   9 and name O3')(resid   10 and name P  )  1    -162.00   5.00  2

remark W-C related restraints
remark fixed distance constraints of Watson Crick hydrogen bonds

remark resid 1  G 10mer
remark resid 2  C 10mer
remark resid 3  C 10mer
remark resid 4  A 10mer
remark resid 5  G 10mer
remark resid 6  A 10mer
remark resid 7  G 10mer
remark resid 8  A 10mer
remark resid 9  G 10mer
remark resid 10 C 10mer

remark W-C bonds  Proton to Acceptor fixed distances
remark         C                         G     

assign (resid  10 and name H42 ) (resid   1 and name O6  )  1.95  0.2   0.3 
assign (resid   2 and name H42 ) (resid   9 and name O6  )  1.95  0.2   0.3 
assign (resid   3 and name H42 ) (resid   7 and name O6  )  1.95  0.2   0.3 

assign (resid  10 and name  O2 ) (resid   1 and name H22 )  1.95  0.2   0.3 
assign (resid   2 and name  O2 ) (resid   9 and name H22 )  1.95  0.2   0.3 
assign (resid   3 and name  O2 ) (resid   7 and name H22 )  1.95  0.2   0.3 

assign (resid  10 and name  N3 ) (resid   1 and name H1  )  1.95  0.2   0.3 
assign (resid   2 and name  N3 ) (resid   9 and name H1  )  1.95  0.2   0.3 
assign (resid   3 and name  N3 ) (resid   7 and name H1  )  1.95  0.2   0.3 

remark fixed distances between donor and acceptor of H bonds
remark         C                         G     

assign (resid  10 and name  N4 ) (resid   1 and name O6  )  2.95  0.35  0.25
assign (resid   2 and name  N4 ) (resid   9 and name O6  )  2.95  0.35  0.25
assign (resid   3 and name  N4 ) (resid   7 and name O6  )  2.95  0.35  0.25

assign (resid  10 and name  O2 ) (resid   1 and name N2  )  2.95  0.35  0.25
assign (resid   2 and name  O2 ) (resid   9 and name N2  )  2.95  0.35  0.25
assign (resid   3 and name  O2 ) (resid   7 and name N2  )  2.95  0.35  0.25

assign (resid  10 and name  N3 ) (resid   1 and name N1  )  2.90  0.25  0.35
assign (resid   2 and name  N3 ) (resid   9 and name N1  )  2.90  0.25  0.35
assign (resid   3 and name  N3 ) (resid   7 and name N1  )  2.90  0.25  0.35



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          H5''        G   1   8.128  -7.038   5.045
    2   2H5*    G   1          H5'         G   1   8.685  -6.223   3.570
    3    H4*    G   1           H4'        G   1   6.267  -6.705   3.489
    4    H3*    G   1           H3'        G   1   7.504  -4.152   3.081
    5    H1*    G   1           H1'        G   1   3.999  -4.788   4.823
    6    H8     G   1           H8         G   1   7.023  -3.427   6.900
    7    H1     G   1           H1         G   1   1.251  -2.319   9.391
    8   1H2     G   1          H21         G   1   0.065  -3.886   6.487
    9   2H2     G   1          H22         G   1  -0.332  -3.102   8.000
   10    H5T    G   1           H5T        G   1   7.924  -4.799   5.892
   11   1H2*    G   1          H2'         G   1   6.245  -2.865   4.471
   12   2H2*    G   1          H2''        G   1   4.857  -3.216   3.397
   13   1H5*    C   2          H5''        C   2   3.162  -5.476   1.745
   14   2H5*    C   2          H5'         C   2   3.075  -4.995   0.040
   15    H4*    C   2           H4'        C   2   0.844  -5.034   1.007
   16    H3*    C   2           H3'        C   2   2.076  -2.681  -0.141
   17    H1*    C   2           H1'        C   2  -0.121  -2.434   3.235
   18   1H4     C   2          H41         C   2   5.374   0.595   5.399
   19   2H4     C   2          H42         C   2   4.161   0.768   6.647
   20    H5     C   2           H5         C   2   4.983  -0.568   3.327
   21    H6     C   2           H6         C   2   3.344  -1.839   2.011
   22   1H2*    C   2          H2'         C   2   1.291  -1.024   1.187
   23   2H2*    C   2          H2''        C   2  -0.362  -1.697   1.112
   24   1H5*    C   3          H5''        C   3  -2.223  -2.357   0.295
   25   2H5*    C   3          H5'         C   3  -2.915  -2.598  -1.321
   26    H4*    C   3           H4'        C   3  -4.305  -1.138   0.163
   27    H3*    C   3           H3'        C   3  -3.669  -0.776  -2.536
   28    H1*    C   3           H1'        C   3  -3.463   2.235   0.056
   29   1H4     C   3          H41         C   3   3.031   3.381  -0.570
   30   2H4     C   3          H42         C   3   2.410   4.497   0.628
   31    H5     C   3           H5         C   3   1.654   1.696  -1.638
   32    H6     C   3           H6         C   3  -0.593   0.723  -1.759
   33   1H2*    C   3          H2'         C   3  -2.355   1.106  -2.460
   34   2H2*    C   3          H2''        C   3  -3.884   1.981  -2.165
   35   1H5*    A   4          H5''        A   4  -5.515   2.278  -0.586
   36   2H5*    A   4          H5'         A   4  -7.041   3.027  -1.103
   37    H4*    A   4           H4'        A   4  -5.389   4.700  -0.266
   38    H3*    A   4           H3'        A   4  -6.992   4.882  -2.521
   39    H1*    A   4           H1'        A   4  -3.161   5.820  -2.667
   40    H8     A   4           H8         A   4  -4.377   2.865  -4.841
   41   1H6     A   4          H61         A   4   1.550   2.250  -6.447
   42   2H6     A   4          H62         A   4  -0.081   1.695  -6.753
   43    H2     A   4           H2         A   4   1.308   5.333  -3.218
   44   1H2*    A   4          H2'         A   4  -5.405   4.529  -4.174
   45   2H2*    A   4          H2''        A   4  -5.060   6.265  -3.909
   46   1H5*    G   5          H5''        G   5  -5.441   8.720  -0.303
   47   2H5*    G   5          H5'         G   5  -5.468  10.384  -0.907
   48    H4*    G   5           H4'        G   5  -3.232   9.328  -0.025
   49    H3*    G   5           H3'        G   5  -3.842  11.405  -1.844
   50    H1*    G   5           H1'        G   5  -1.169   8.534  -2.731
   51    H8     G   5           H8         G   5  -4.807   8.317  -4.072
   52    H1     G   5           H1         G   5  -0.328   6.218  -8.102
   53   1H2     G   5          H21         G   5   1.926   7.269  -5.647
   54   2H2     G   5          H22         G   5   1.697   6.531  -7.217
   55   1H2*    G   5          H2'         G   5  -2.935  10.635  -3.789
   56   2H2*    G   5          H2''        G   5  -1.339  10.779  -2.996
   57   1H5*    A   6          H5''        A   6  -2.030  14.222   1.077
   58   2H5*    A   6          H5'         A   6  -0.371  14.701   1.482
   59    H4*    A   6           H4'        A   6  -1.704  13.721   3.386
   60    H3*    A   6           H3'        A   6   0.996  13.070   2.542
   61    H1*    A   6           H1'        A   6  -1.631  10.300   3.808
   62    H8     A   6           H8         A   6   0.716  10.499   0.719
   63   1H6     A   6          H61         A   6  -1.979   5.240  -1.057
   64   2H6     A   6          H62         A   6  -0.736   6.411  -1.437
   65    H2     A   6           H2         A   6  -4.045   6.666   2.642
   66   1H2*    A   6          H2'         A   6   1.061  10.840   2.914
   67   2H2*    A   6          H2''        A   6   0.355  11.062   4.540
   68   1H5*    G   7          H5''        G   7  -0.962  12.193   6.377
   69   2H5*    G   7          H5'         G   7  -0.023  12.686   7.798
   70    H4*    G   7           H4'        G   7  -1.391  10.710   8.286
   71    H3*    G   7           H3'        G   7   1.546  10.744   8.451
   72    H1*    G   7           H1'        G   7  -0.734   7.619   7.464
   73    H8     G   7           H8         G   7   2.734   8.713   6.255
   74    H1     G   7           H1         G   7  -0.223   4.680   2.289
   75   1H2     G   7          H21         G   7  -2.963   5.103   4.431
   76   2H2     G   7          H22         G   7  -2.325   4.336   2.992
   77   1H2*    G   7          H2'         G   7   1.945   8.545   8.087
   78   2H2*    G   7          H2''        G   7   0.630   8.077   9.202
   79   1H5*    A   8          H5''        A   8  -0.292   7.803  11.180
   80   2H5*    A   8          H5'         A   8  -0.245   8.665  12.731
   81    H4*    A   8           H4'        A   8  -0.150   6.203  13.012
   82    H3*    A   8           H3'        A   8   1.586   8.147  14.142
   83    H1*    A   8           H1'        A   8   3.010   4.711  12.625
   84    H8     A   8           H8         A   8   4.229   8.289  11.920
   85   1H6     A   8          H61         A   8   7.464   5.828   7.282
   86   2H6     A   8          H62         A   8   7.156   7.285   8.200
   87    H2     A   8           H2         A   8   4.832   2.630   8.976
   88   1H2*    A   8          H2'         A   8   3.640   7.391  13.617
   89   2H2*    A   8          H2''        A   8   3.287   5.900  14.533
   90   1H5*    G   9          H5''        G   9  -1.514   5.455  14.477
   91   2H5*    G   9          H5'         G   9  -1.618   4.272  15.797
   92    H4*    G   9           H4'        G   9  -3.202   3.798  13.936
   93    H3*    G   9           H3'        G   9  -1.286   1.973  15.110
   94    H1*    G   9           H1'        G   9  -2.318   2.081  11.252
   95    H8     G   9           H8         G   9   1.055   3.607  12.303
   96    H1     G   9           H1         G   9   1.348  -0.106   7.119
   97   1H2     G   9          H21         G   9  -1.941  -0.970   7.954
   98   2H2     G   9          H22         G   9  -0.599  -1.182   6.851
   99   1H2*    G   9          H2'         G   9  -0.512   0.925  13.259
  100   2H2*    G   9          H2''        G   9  -2.191   0.472  12.841
  101   1H5*    C  10          H5''        C  10  -5.224  -0.088  13.253
  102   2H5*    C  10          H5'         C  10  -5.688  -1.261  14.504
  103    H4*    C  10           H4'        C  10  -5.999  -2.150  12.221
  104    H3*    C  10           H3'        C  10  -4.356  -3.373  14.302
  105    H1*    C  10           H1'        C  10  -3.104  -3.308  10.492
  106   1H4     C  10          H41         C  10   2.279  -1.072  13.648
  107   2H4     C  10          H42         C  10   2.700  -1.286  11.963
  108    H5     C  10           H5         C  10   0.075  -1.511  14.519
  109    H6     C  10           H6         C  10  -2.203  -2.246  13.959
  110    H3T    C  10           H3T        C  10  -6.640  -3.755  13.169
  111   1H2*    C  10          H2'         C  10  -2.791  -4.460  13.053
  112   2H2*    C  10          H2''        C  10  -3.998  -4.906  11.814
  113    H13  NCG  11           H13      NCS  11  -4.788  -5.132   6.270
  114    H8   NCG  11           H8       NCS  11  -3.214  -0.406   2.557
  115    H2   NCG  11           H2       NCS  11  -3.696  -1.277   7.369
  116    H6   NCG  11           H6       NCS  11  -3.027  -3.287   2.331
  117   H14A  NCG  11          H14A      NCS  11  -4.949  -4.553   8.416
  118   H14B  NCG  11          H14B      NCS  11  -3.817  -3.198   8.179
  119    H12  NCG  11           H12      NCS  11  -3.285   1.469   7.529
  120    H66  NCG  11           H66      NCS  11  -2.202  -4.827   6.531
  121    H5   NCG  11           H5       NCS  11  -3.130  -5.227   4.161
  122   H8''  NCG  11          H8''      NCS  11  -0.296   2.355   4.564
  123   H6''  NCG  11          H6''      NCS  11   3.697   2.778   3.142
  124   H3''  NCG  11          H3''      NCS  11   2.010   5.535   8.959
  125   H4''  NCG  11          H4''      NCS  11   3.748   5.054   7.276
  126   HNM1  NCG  11          HNM1      NCS  11   5.178   4.384   4.187
  127   HNM2  NCG  11          HNM2      NCS  11   5.359   3.464   5.681
  128   HNM3  NCG  11          HNM3      NCS  11   4.769   5.127   5.732
  129   H7M1  NCG  11          H7M1      NCS  11  -0.022   0.517   1.829
  130   H7M2  NCG  11          H7M2      NCS  11  -0.662   1.901   2.722
  131   H7M3  NCG  11          H7M3      NCS  11   0.078   0.548   3.595
  132    H92  NCG  11           H92      NCS  11  -0.002   5.134   9.673
  133    H11  NCG  11           H11      NCS  11  -3.515   3.487   5.732
  134    H5'  NCG  11           H5'      NCS  11  -6.222   0.481   4.223
  135    H4'  NCG  11           H4'      NCS  11  -8.576   0.702   3.516
  136   H104  NCG  11          H104      NCS  11  -7.355   0.706   1.037
  137    H1'  NCG  11           H1'      NCS  11  -4.343   2.545   1.972
  138    H10  NCG  11           H10      NCS  11  -2.843   2.197   3.449
  139   H108  NCG  11          H108      NCS  11  -5.246   4.556   2.119
  140    H2'  NCG  11           H2'      NCS  11  -6.632   3.004   1.218
  141   H2M1  NCG  11          H2M1      NCS  11  -4.746   4.826   4.069
  142   H2M2  NCG  11          H2M2      NCS  11  -6.414   4.513   4.629
  143   H2M3  NCG  11          H2M3      NCS  11  -6.007   6.078   3.865
  144   H2NH  NCG  11          H2NH      NCS  11  -6.681   5.111   2.051
  145   HFM1  NCG  11          HFM1      NCS  11  -5.737  -1.699   3.174
  146   HFM2  NCG  11          HFM2      NCS  11  -6.835  -1.328   1.835
  147   HFM3  NCG  11          HFM3      NCS  11  -7.477  -1.562   3.468
  148    H3'  NCG  11           H3'      NCS  11  -7.439   2.772   4.138
  149   H120  NCG  11          H120      NCS  11  -9.133   2.728   1.958
  150    HA   NCG  11           HA       NCS  11  -8.141   1.117   7.771
  151    HB1  NCG  11           HB1      NCS  11  -5.299   0.509   8.664
  152    HB2  NCG  11           HB2      NCS  11  -6.168  -0.284   7.355
  153    H9   NCG  11           H9       NCS  11  -6.409   2.517   9.617
  154    H3   NCG  11           H3       NCS  11  -7.972  -1.435   8.255
  155    H1   NCG  11           H1       NCS  11  -6.789  -2.038  10.449
  156    H7   NCG  11           H7       NCS  11  -7.698  -3.208   9.496
  157    H4   NCG  11           H4       NCS  11 -10.470  -2.808  11.906
  158    H14  NCG  11           H14      NCS  11  -6.855   5.343   8.936
  159    H15  NCG  11           H15      NCS  11  -6.479   5.249   7.214
  160    H16  NCG  11           H16      NCS  11  -4.570   3.704   7.734
  161    H17  NCG  11           H17      NCS  11  -4.930   3.860   9.454
  162    H18  NCG  11           H18      NCS  11  -4.716   6.437   9.059
  163    H21  NCG  11           H21      NCS  11  -2.273   6.955   6.360
  164    H19  NCG  11           H19      NCS  11  -2.348   6.225   9.256
  165    H20  NCG  11           H20      NCS  11  -2.478   4.621   9.007
  Start of MODEL    2
    1   1H5*    G   1          H5''        G   1   8.922  -6.608   4.166
    2   2H5*    G   1          H5'         G   1   9.231  -5.770   2.632
    3    H4*    G   1           H4'        G   1   6.885  -6.510   2.801
    4    H3*    G   1           H3'        G   1   7.789  -3.855   2.243
    5    H1*    G   1           H1'        G   1   4.579  -4.831   4.317
    6    H8     G   1           H8         G   1   7.568  -3.124   6.190
    7    H1     G   1           H1         G   1   1.877  -2.650   9.042
    8   1H2     G   1          H21         G   1   0.708  -4.431   6.256
    9   2H2     G   1          H22         G   1   0.313  -3.652   7.774
   10    H5T    G   1           H5T        G   1   8.557  -4.385   5.004
   11   1H2*    G   1          H2'         G   1   6.614  -2.701   3.817
   12   2H2*    G   1          H2''        G   1   5.149  -3.131   2.881
   13   1H5*    C   2          H5''        C   2   3.385  -5.529   1.339
   14   2H5*    C   2          H5'         C   2   3.079  -4.963  -0.315
   15    H4*    C   2           H4'        C   2   0.979  -5.167   0.900
   16    H3*    C   2           H3'        C   2   1.976  -2.662  -0.199
   17    H1*    C   2           H1'        C   2   0.062  -2.842   3.338
   18   1H4     C   2          H41         C   2   5.361   0.670   5.253
   19   2H4     C   2          H42         C   2   4.218   0.692   6.577
   20    H5     C   2           H5         C   2   4.951  -0.469   3.171
   21    H6     C   2           H6         C   2   3.348  -1.841   1.909
   22   1H2*    C   2          H2'         C   2   1.152  -1.162   1.286
   23   2H2*    C   2          H2''        C   2  -0.434  -1.986   1.305
   24   1H5*    C   3          H5''        C   3  -2.320  -2.268   0.675
   25   2H5*    C   3          H5'         C   3  -2.995  -2.625  -0.928
   26    H4*    C   3           H4'        C   3  -4.413  -1.060   0.385
   27    H3*    C   3           H3'        C   3  -3.626  -0.833  -2.297
   28    H1*    C   3           H1'        C   3  -3.537   2.294   0.167
   29   1H4     C   3          H41         C   3   2.967   3.421  -0.303
   30   2H4     C   3          H42         C   3   2.336   4.521   0.902
   31    H5     C   3           H5         C   3   1.609   1.745  -1.398
   32    H6     C   3           H6         C   3  -0.635   0.776  -1.568
   33   1H2*    C   3          H2'         C   3  -2.355   1.073  -2.261
   34   2H2*    C   3          H2''        C   3  -3.901   1.939  -2.040
   35   1H5*    A   4          H5''        A   4  -5.767   2.238  -0.765
   36   2H5*    A   4          H5'         A   4  -7.248   2.944  -1.446
   37    H4*    A   4           H4'        A   4  -5.624   4.667  -0.653
   38    H3*    A   4           H3'        A   4  -7.082   4.662  -3.020
   39    H1*    A   4           H1'        A   4  -3.158   5.454  -3.087
   40    H8     A   4           H8         A   4  -4.685   2.258  -4.674
   41   1H6     A   4          H61         A   4   1.068   0.986  -6.504
   42   2H6     A   4          H62         A   4  -0.602   0.466  -6.558
   43    H2     A   4           H2         A   4   1.201   4.701  -4.015
   44   1H2*    A   4          H2'         A   4  -5.438   4.281  -4.580
   45   2H2*    A   4          H2''        A   4  -5.015   5.995  -4.311
   46   1H5*    G   5          H5''        G   5  -5.784   8.237  -0.768
   47   2H5*    G   5          H5'         G   5  -5.790   9.984  -1.078
   48    H4*    G   5           H4'        G   5  -3.632   8.941  -0.141
   49    H3*    G   5           H3'        G   5  -4.068  11.065  -1.975
   50    H1*    G   5           H1'        G   5  -1.258   8.277  -2.449
   51    H8     G   5           H8         G   5  -4.524   7.882  -4.514
   52    H1     G   5           H1         G   5   0.810   6.108  -7.536
   53   1H2     G   5          H21         G   5   2.443   7.309  -4.689
   54   2H2     G   5          H22         G   5   2.589   6.568  -6.268
   55   1H2*    G   5          H2'         G   5  -2.941  10.306  -3.809
   56   2H2*    G   5          H2''        G   5  -1.449  10.515  -2.846
   57   1H5*    A   6          H5''        A   6  -2.803  13.610   1.312
   58   2H5*    A   6          H5'         A   6  -1.269  14.385   1.755
   59    H4*    A   6           H4'        A   6  -2.369  13.233   3.664
   60    H3*    A   6           H3'        A   6   0.360  12.842   2.743
   61    H1*    A   6           H1'        A   6  -1.887   9.714   3.903
   62    H8     A   6           H8         A   6   0.444  10.602   0.928
   63   1H6     A   6          H61         A   6  -1.460   5.260  -1.512
   64   2H6     A   6          H62         A   6  -0.373   6.616  -1.716
   65    H2     A   6           H2         A   6  -3.796   5.978   2.225
   66   1H2*    A   6          H2'         A   6   0.708  10.648   3.231
   67   2H2*    A   6          H2''        A   6  -0.136  10.811   4.797
   68   1H5*    G   7          H5''        G   7  -1.299  12.010   6.782
   69   2H5*    G   7          H5'         G   7  -0.284  12.565   8.127
   70    H4*    G   7           H4'        G   7  -1.522  10.496   8.678
   71    H3*    G   7           H3'        G   7   1.396  10.783   8.769
   72    H1*    G   7           H1'        G   7  -0.625   7.461   7.846
   73    H8     G   7           H8         G   7   2.749   8.682   6.580
   74    H1     G   7           H1         G   7  -0.227   4.805   2.474
   75   1H2     G   7          H21         G   7  -2.967   5.170   4.630
   76   2H2     G   7          H22         G   7  -2.334   4.450   3.164
   77   1H2*    G   7          H2'         G   7   1.989   8.640   8.341
   78   2H2*    G   7          H2''        G   7   0.784   8.037   9.512
   79   1H5*    A   8          H5''        A   8  -0.356   7.778  11.559
   80   2H5*    A   8          H5'         A   8  -0.242   8.571  13.143
   81    H4*    A   8           H4'        A   8  -0.164   6.077  13.267
   82    H3*    A   8           H3'        A   8   1.576   7.971  14.501
   83    H1*    A   8           H1'        A   8   2.959   4.592  12.832
   84    H8     A   8           H8         A   8   4.135   8.225  12.247
   85   1H6     A   8          H61         A   8   7.665   5.898   7.760
   86   2H6     A   8          H62         A   8   7.261   7.339   8.668
   87    H2     A   8           H2         A   8   5.076   2.600   9.327
   88   1H2*    A   8          H2'         A   8   3.626   7.195  13.986
   89   2H2*    A   8          H2''        A   8   3.223   5.662  14.807
   90   1H5*    G   9          H5''        G   9  -1.544   5.248  14.527
   91   2H5*    G   9          H5'         G   9  -1.672   4.052  15.830
   92    H4*    G   9           H4'        G   9  -3.173   3.545  13.924
   93    H3*    G   9           H3'        G   9  -1.247   1.767  15.134
   94    H1*    G   9           H1'        G   9  -2.234   1.887  11.281
   95    H8     G   9           H8         G   9   1.112   3.535  12.228
   96    H1     G   9           H1         G   9   1.406  -0.196   7.057
   97   1H2     G   9          H21         G   9  -1.864  -1.101   7.922
   98   2H2     G   9          H22         G   9  -0.528  -1.298   6.809
   99   1H2*    G   9          H2'         G   9  -0.311   0.858  13.280
  100   2H2*    G   9          H2''        G   9  -1.930   0.245  12.826
  101   1H5*    C  10          H5''        C  10  -4.889  -0.295  12.978
  102   2H5*    C  10          H5'         C  10  -5.461  -1.585  14.056
  103    H4*    C  10           H4'        C  10  -5.486  -2.284  11.689
  104    H3*    C  10           H3'        C  10  -4.008  -3.628  13.829
  105    H1*    C  10           H1'        C  10  -2.622  -3.287  10.088
  106   1H4     C  10          H41         C  10   2.880  -1.261  13.182
  107   2H4     C  10          H42         C  10   3.287  -1.554  11.505
  108    H5     C  10           H5         C  10   0.667  -1.609  14.081
  109    H6     C  10           H6         C  10  -1.642  -2.263  13.548
  110    H3T    C  10           H3T        C  10  -6.185  -4.038  12.866
  111   1H2*    C  10          H2'         C  10  -2.293  -4.529  12.652
  112   2H2*    C  10          H2''        C  10  -3.386  -5.007  11.323
  113    H13  NCG  11           H13      NCS  11  -5.397  -4.583   6.682
  114    H8   NCG  11           H8       NCS  11  -3.281  -0.179   2.869
  115    H2   NCG  11           H2       NCS  11  -4.132  -0.749   7.675
  116    H6   NCG  11           H6       NCS  11  -3.251  -3.069   2.802
  117   H14A  NCG  11          H14A      NCS  11  -5.654  -3.892   8.790
  118   H14B  NCG  11          H14B      NCS  11  -4.420  -2.627   8.571
  119    H12  NCG  11           H12      NCS  11  -3.569   1.972   7.718
  120    H66  NCG  11           H66      NCS  11  -2.874  -4.421   7.201
  121    H5   NCG  11           H5       NCS  11  -3.587  -4.899   4.717
  122   H8''  NCG  11          H8''      NCS  11  -0.382   2.620   4.813
  123   H6''  NCG  11          H6''      NCS  11   3.695   2.673   3.576
  124   H3''  NCG  11          H3''      NCS  11   1.998   5.581   9.318
  125   H4''  NCG  11          H4''      NCS  11   3.752   4.994   7.688
  126   HNM1  NCG  11          HNM1      NCS  11   5.252   4.178   4.658
  127   HNM2  NCG  11          HNM2      NCS  11   5.295   3.272   6.171
  128   HNM3  NCG  11          HNM3      NCS  11   4.840   4.977   6.173
  129   H7M1  NCG  11          H7M1      NCS  11   0.175   0.595   4.084
  130   H7M2  NCG  11          H7M2      NCS  11   0.069   0.375   2.332
  131   H7M3  NCG  11          H7M3      NCS  11  -0.721   1.760   3.095
  132    H92  NCG  11           H92      NCS  11  -0.077   5.243   9.980
  133    H11  NCG  11           H11      NCS  11  -3.536   3.894   5.812
  134    H5'  NCG  11           H5'      NCS  11  -6.353   0.979   4.428
  135    H4'  NCG  11           H4'      NCS  11  -8.661   1.260   3.617
  136   H104  NCG  11          H104      NCS  11  -7.369   0.970   1.183
  137    H1'  NCG  11           H1'      NCS  11  -4.282   2.703   2.057
  138    H10  NCG  11           H10      NCS  11  -2.831   2.450   3.640
  139   H108  NCG  11          H108      NCS  11  -5.019   4.737   2.105
  140    H2'  NCG  11           H2'      NCS  11  -6.509   3.207   1.176
  141   H2M1  NCG  11          H2M1      NCS  11  -4.768   5.463   3.935
  142   H2M2  NCG  11          H2M2      NCS  11  -6.406   4.940   4.424
  143   H2M3  NCG  11          H2M3      NCS  11  -6.187   6.479   3.542
  144   H2NH  NCG  11          H2NH      NCS  11  -6.367   5.371   1.713
  145   HFM1  NCG  11          HFM1      NCS  11  -6.068  -1.317   3.812
  146   HFM2  NCG  11          HFM2      NCS  11  -6.766  -1.059   2.205
  147   HFM3  NCG  11          HFM3      NCS  11  -7.804  -1.023   3.638
  148    H3'  NCG  11           H3'      NCS  11  -7.430   3.313   4.070
  149   H120  NCG  11          H120      NCS  11  -9.097   3.119   1.897
  150    HA   NCG  11           HA       NCS  11  -8.423   1.964   7.534
  151    HB1  NCG  11           HB1      NCS  11  -5.739   1.346   8.830
  152    HB2  NCG  11           HB2      NCS  11  -6.487   0.413   7.537
  153    H9   NCG  11           H9       NCS  11  -6.877   3.391   9.518
  154    H3   NCG  11           H3       NCS  11  -8.547  -0.526   8.148
  155    H1   NCG  11           H1       NCS  11  -7.588  -1.120  10.462
  156    H7   NCG  11           H7       NCS  11  -8.477  -2.265   9.459
  157    H4   NCG  11           H4       NCS  11 -11.424  -1.653  11.587
  158    H14  NCG  11           H14      NCS  11  -7.033   6.176   8.625
  159    H15  NCG  11           H15      NCS  11  -6.452   5.958   6.973
  160    H16  NCG  11           H16      NCS  11  -4.755   4.291   7.854
  161    H17  NCG  11           H17      NCS  11  -5.279   4.686   9.491
  162    H18  NCG  11           H18      NCS  11  -4.773   7.152   8.906
  163    H21  NCG  11           H21      NCS  11  -2.189   7.276   6.324
  164    H19  NCG  11           H19      NCS  11  -2.488   6.823   9.290
  165    H20  NCG  11           H20      NCS  11  -2.625   5.227   9.000
  Start of MODEL    3
    1   1H5*    G   1          H5''        G   1   8.326  -7.124   5.088
    2   2H5*    G   1          H5'         G   1   8.872  -6.248   3.642
    3    H4*    G   1           H4'        G   1   6.491  -6.861   3.481
    4    H3*    G   1           H3'        G   1   7.588  -4.223   3.193
    5    H1*    G   1           H1'        G   1   4.079  -5.093   4.859
    6    H8     G   1           H8         G   1   7.068  -3.648   6.922
    7    H1     G   1           H1         G   1   1.289  -2.718   9.467
    8   1H2     G   1          H21         G   1   0.122  -4.332   6.585
    9   2H2     G   1          H22         G   1  -0.282  -3.546   8.096
   10    H5T    G   1           H5T        G   1   7.963  -4.895   5.949
   11   1H2*    G   1          H2'         G   1   6.199  -3.042   4.538
   12   2H2*    G   1          H2''        G   1   4.862  -3.488   3.435
   13   1H5*    C   2          H5''        C   2   3.371  -5.674   1.770
   14   2H5*    C   2          H5'         C   2   3.222  -5.128   0.088
   15    H4*    C   2           H4'        C   2   1.022  -5.282   1.141
   16    H3*    C   2           H3'        C   2   2.142  -2.859   0.004
   17    H1*    C   2           H1'        C   2   0.033  -2.771   3.441
   18   1H4     C   2          H41         C   2   5.445   0.531   5.411
   19   2H4     C   2          H42         C   2   4.275   0.637   6.707
   20    H5     C   2           H5         C   2   5.044  -0.662   3.363
   21    H6     C   2           H6         C   2   3.411  -1.993   2.094
   22   1H2*    C   2          H2'         C   2   1.294  -1.261   1.369
   23   2H2*    C   2          H2''        C   2  -0.319  -2.027   1.336
   24   1H5*    C   3          H5''        C   3  -2.106  -2.423   0.541
   25   2H5*    C   3          H5'         C   3  -2.805  -2.705  -1.066
   26    H4*    C   3           H4'        C   3  -4.128  -1.120   0.336
   27    H3*    C   3           H3'        C   3  -3.420  -0.877  -2.373
   28    H1*    C   3           H1'        C   3  -3.286   2.170   0.154
   29   1H4     C   3          H41         C   3   3.154   3.579  -0.432
   30   2H4     C   3          H42         C   3   2.496   4.640   0.795
   31    H5     C   3           H5         C   3   1.844   1.872  -1.537
   32    H6     C   3           H6         C   3  -0.357   0.802  -1.671
   33   1H2*    C   3          H2'         C   3  -2.113   1.010  -2.326
   34   2H2*    C   3          H2''        C   3  -3.648   1.891  -2.078
   35   1H5*    A   4          H5''        A   4  -5.238   2.232  -0.642
   36   2H5*    A   4          H5'         A   4  -6.823   2.878  -1.114
   37    H4*    A   4           H4'        A   4  -5.194   4.654  -0.440
   38    H3*    A   4           H3'        A   4  -6.949   4.649  -2.606
   39    H1*    A   4           H1'        A   4  -3.173   5.802  -3.004
   40    H8     A   4           H8         A   4  -4.373   2.495  -4.675
   41   1H6     A   4          H61         A   4   1.112   2.546  -7.506
   42   2H6     A   4          H62         A   4  -0.416   1.705  -7.358
   43    H2     A   4           H2         A   4   0.974   6.024  -4.696
   44   1H2*    A   4          H2'         A   4  -5.462   4.437  -4.354
   45   2H2*    A   4          H2''        A   4  -5.179   6.180  -4.081
   46   1H5*    G   5          H5''        G   5  -5.592   8.442  -0.429
   47   2H5*    G   5          H5'         G   5  -5.722  10.149  -0.890
   48    H4*    G   5           H4'        G   5  -3.406   9.137  -0.169
   49    H3*    G   5           H3'        G   5  -4.193  11.313  -1.817
   50    H1*    G   5           H1'        G   5  -1.344   8.698  -2.860
   51    H8     G   5           H8         G   5  -4.875   8.084  -4.283
   52    H1     G   5           H1         G   5  -0.171   7.426  -8.545
   53   1H2     G   5          H21         G   5   1.885   8.635  -5.989
   54   2H2     G   5          H22         G   5   1.770   8.059  -7.639
   55   1H2*    G   5          H2'         G   5  -3.250  10.744  -3.813
   56   2H2*    G   5          H2''        G   5  -1.662  10.948  -3.018
   57   1H5*    A   6          H5''        A   6  -2.911  13.759   1.351
   58   2H5*    A   6          H5'         A   6  -1.428  14.591   1.860
   59    H4*    A   6           H4'        A   6  -2.394  13.206   3.664
   60    H3*    A   6           H3'        A   6   0.322  12.952   2.614
   61    H1*    A   6           H1'        A   6  -1.868   9.775   3.717
   62    H8     A   6           H8         A   6   0.359  10.748   0.683
   63   1H6     A   6          H61         A   6  -1.426   5.352  -1.726
   64   2H6     A   6          H62         A   6  -0.421   6.764  -1.969
   65    H2     A   6           H2         A   6  -3.599   5.924   2.137
   66   1H2*    A   6          H2'         A   6   0.717  10.749   2.994
   67   2H2*    A   6          H2''        A   6  -0.078  10.825   4.592
   68   1H5*    G   7          H5''        G   7  -1.342  11.922   6.552
   69   2H5*    G   7          H5'         G   7  -0.407  12.576   7.910
   70    H4*    G   7           H4'        G   7  -1.573  10.521   8.560
   71    H3*    G   7           H3'        G   7   1.325  10.864   8.648
   72    H1*    G   7           H1'        G   7  -0.553   7.436   7.766
   73    H8     G   7           H8         G   7   2.701   8.888   6.408
   74    H1     G   7           H1         G   7  -0.086   4.744   2.433
   75   1H2     G   7          H21         G   7  -2.786   4.929   4.658
   76   2H2     G   7          H22         G   7  -2.138   4.240   3.184
   77   1H2*    G   7          H2'         G   7   1.998   8.749   8.212
   78   2H2*    G   7          H2''        G   7   0.841   8.104   9.410
   79   1H5*    A   8          H5''        A   8  -0.219   7.774  11.403
   80   2H5*    A   8          H5'         A   8  -0.126   8.522  13.009
   81    H4*    A   8           H4'        A   8   0.122   6.048  13.071
   82    H3*    A   8           H3'        A   8   1.819   8.008  14.275
   83    H1*    A   8           H1'        A   8   3.275   4.730  12.481
   84    H8     A   8           H8         A   8   4.340   8.407  11.994
   85   1H6     A   8          H61         A   8   7.721   6.348   7.265
   86   2H6     A   8          H62         A   8   7.330   7.741   8.250
   87    H2     A   8           H2         A   8   5.270   2.932   8.795
   88   1H2*    A   8          H2'         A   8   3.880   7.331  13.679
   89   2H2*    A   8          H2''        A   8   3.569   5.763  14.474
   90   1H5*    G   9          H5''        G   9  -1.189   5.372  14.528
   91   2H5*    G   9          H5'         G   9  -1.307   4.183  15.840
   92    H4*    G   9           H4'        G   9  -2.985   3.836  14.027
   93    H3*    G   9           H3'        G   9  -1.215   1.889  15.190
   94    H1*    G   9           H1'        G   9  -2.192   2.017  11.310
   95    H8     G   9           H8         G   9   1.226   3.426  12.395
   96    H1     G   9           H1         G   9   1.429  -0.290   7.210
   97   1H2     G   9          H21         G   9  -1.897  -1.038   8.024
   98   2H2     G   9          H22         G   9  -0.554  -1.307   6.933
   99   1H2*    G   9          H2'         G   9  -0.441   0.825  13.344
  100   2H2*    G   9          H2''        G   9  -2.130   0.422  12.915
  101   1H5*    C  10          H5''        C  10  -5.144   0.123  13.073
  102   2H5*    C  10          H5'         C  10  -5.779  -0.979  14.312
  103    H4*    C  10           H4'        C  10  -6.078  -1.900  12.054
  104    H3*    C  10           H3'        C  10  -4.528  -3.199  14.174
  105    H1*    C  10           H1'        C  10  -3.257  -3.279  10.381
  106   1H4     C  10          H41         C  10   2.201  -1.445  13.671
  107   2H4     C  10          H42         C  10   2.654  -1.694  11.998
  108    H5     C  10           H5         C  10  -0.048  -1.720  14.482
  109    H6     C  10           H6         C  10  -2.357  -2.288  13.865
  110    H3T    C  10           H3T        C  10  -6.853  -3.408  13.151
  111   1H2*    C  10          H2'         C  10  -3.093  -4.467  12.929
  112   2H2*    C  10          H2''        C  10  -4.338  -4.778  11.686
  113    H13  NCG  11           H13      NCS  11  -5.217  -4.983   6.461
  114    H8   NCG  11           H8       NCS  11  -3.181  -0.466   2.736
  115    H2   NCG  11           H2       NCS  11  -3.913  -1.183   7.541
  116    H6   NCG  11           H6       NCS  11  -3.169  -3.355   2.580
  117   H14A  NCG  11          H14A      NCS  11  -5.392  -4.377   8.601
  118   H14B  NCG  11          H14B      NCS  11  -4.184  -3.086   8.386
  119    H12  NCG  11           H12      NCS  11  -3.339   1.536   7.657
  120    H66  NCG  11           H66      NCS  11  -2.746  -4.818   7.012
  121    H5   NCG  11           H5       NCS  11  -3.467  -5.240   4.445
  122   H8''  NCG  11          H8''      NCS  11  -0.188   2.202   4.767
  123   H6''  NCG  11          H6''      NCS  11   3.784   2.660   3.295
  124   H3''  NCG  11          H3''      NCS  11   2.055   5.666   8.974
  125   H4''  NCG  11          H4''      NCS  11   3.785   5.178   7.287
  126   HNM1  NCG  11          HNM1      NCS  11   5.215   4.374   4.224
  127   HNM2  NCG  11          HNM2      NCS  11   5.436   3.555   5.770
  128   HNM3  NCG  11          HNM3      NCS  11   4.794   5.197   5.722
  129   H7M1  NCG  11          H7M1      NCS  11   0.064   0.336   2.056
  130   H7M2  NCG  11          H7M2      NCS  11  -0.537   1.777   2.886
  131   H7M3  NCG  11          H7M3      NCS  11   0.116   0.422   3.823
  132    H92  NCG  11           H92      NCS  11   0.076   5.154   9.761
  133    H11  NCG  11           H11      NCS  11  -3.360   3.517   5.808
  134    H5'  NCG  11           H5'      NCS  11  -6.245   0.730   4.463
  135    H4'  NCG  11           H4'      NCS  11  -8.567   1.069   3.703
  136   H104  NCG  11          H104      NCS  11  -7.341   0.727   1.242
  137    H1'  NCG  11           H1'      NCS  11  -4.181   2.358   2.030
  138    H10  NCG  11           H10      NCS  11  -2.693   2.135   3.580
  139   H108  NCG  11          H108      NCS  11  -4.837   4.413   2.127
  140    H2'  NCG  11           H2'      NCS  11  -6.404   2.942   1.200
  141   H2M1  NCG  11          H2M1      NCS  11  -4.571   5.434   3.794
  142   H2M2  NCG  11          H2M2      NCS  11  -5.936   4.513   4.489
  143   H2M3  NCG  11          H2M3      NCS  11  -6.237   6.071   3.664
  144   H2NH  NCG  11          H2NH      NCS  11  -6.159   5.097   1.727
  145   HFM1  NCG  11          HFM1      NCS  11  -5.909  -1.589   3.578
  146   HFM2  NCG  11          HFM2      NCS  11  -7.105  -1.267   2.314
  147   HFM3  NCG  11          HFM3      NCS  11  -7.598  -1.289   4.014
  148    H3'  NCG  11           H3'      NCS  11  -7.273   3.089   4.108
  149   H120  NCG  11          H120      NCS  11  -8.964   2.927   1.946
  150    HA   NCG  11           HA       NCS  11  -8.212   1.462   7.598
  151    HB1  NCG  11           HB1      NCS  11  -5.477   0.849   8.781
  152    HB2  NCG  11           HB2      NCS  11  -6.259  -0.031   7.470
  153    H9   NCG  11           H9       NCS  11  -6.616   2.920   9.519
  154    H3   NCG  11           H3       NCS  11  -8.283  -1.019   8.223
  155    H1   NCG  11           H1       NCS  11  -7.163  -1.621  10.439
  156    H7   NCG  11           H7       NCS  11  -8.145  -2.765   9.532
  157    H4   NCG  11           H4       NCS  11 -10.884  -1.913  11.922
  158    H14  NCG  11           H14      NCS  11  -6.809   5.721   8.553
  159    H15  NCG  11           H15      NCS  11  -6.208   5.413   6.923
  160    H16  NCG  11           H16      NCS  11  -4.521   3.813   7.859
  161    H17  NCG  11           H17      NCS  11  -5.109   4.161   9.485
  162    H18  NCG  11           H18      NCS  11  -4.588   6.627   9.038
  163    H21  NCG  11           H21      NCS  11  -2.075   7.023   6.424
  164    H19  NCG  11           H19      NCS  11  -2.251   6.257   9.309
  165    H20  NCG  11           H20      NCS  11  -2.478   4.663   9.062
  Start of MODEL    4
    1   1H5*    G   1          H5''        G   1   8.411  -6.945   4.542
    2   2H5*    G   1          H5'         G   1   8.943  -6.132   3.056
    3    H4*    G   1           H4'        G   1   6.549  -6.705   2.963
    4    H3*    G   1           H3'        G   1   7.682  -4.104   2.552
    5    H1*    G   1           H1'        G   1   4.202  -4.854   4.310
    6    H8     G   1           H8         G   1   7.168  -3.135   6.198
    7    H1     G   1           H1         G   1   1.503  -2.834   9.121
    8   1H2     G   1          H21         G   1   0.360  -4.709   6.392
    9   2H2     G   1          H22         G   1  -0.036  -3.917   7.904
   10    H5T    G   1           H5T        G   1   8.102  -4.678   5.326
   11   1H2*    G   1          H2'         G   1   6.375  -2.860   3.929
   12   2H2*    G   1          H2''        G   1   4.998  -3.273   2.864
   13   1H5*    C   2          H5''        C   2   3.437  -5.595   1.431
   14   2H5*    C   2          H5'         C   2   3.135  -5.111  -0.249
   15    H4*    C   2           H4'        C   2   1.033  -5.264   0.971
   16    H3*    C   2           H3'        C   2   2.019  -2.824  -0.266
   17    H1*    C   2           H1'        C   2   0.090  -2.821   3.267
   18   1H4     C   2          H41         C   2   5.323   0.815   5.110
   19   2H4     C   2          H42         C   2   4.216   0.782   6.464
   20    H5     C   2           H5         C   2   4.909  -0.323   3.034
   21    H6     C   2           H6         C   2   3.337  -1.754   1.799
   22   1H2*    C   2          H2'         C   2   1.216  -1.246   1.147
   23   2H2*    C   2          H2''        C   2  -0.379  -2.048   1.198
   24   1H5*    C   3          H5''        C   3  -2.160  -2.550   0.417
   25   2H5*    C   3          H5'         C   3  -3.013  -2.709  -1.131
   26    H4*    C   3           H4'        C   3  -4.146  -1.155   0.454
   27    H3*    C   3           H3'        C   3  -3.568  -0.748  -2.288
   28    H1*    C   3           H1'        C   3  -3.314   2.045   0.482
   29   1H4     C   3          H41         C   3   3.063   3.658  -0.334
   30   2H4     C   3          H42         C   3   2.385   4.761   0.843
   31    H5     C   3           H5         C   3   1.793   1.873  -1.352
   32    H6     C   3           H6         C   3  -0.387   0.751  -1.435
   33   1H2*    C   3          H2'         C   3  -2.264   1.134  -2.162
   34   2H2*    C   3          H2''        C   3  -3.781   1.989  -1.760
   35   1H5*    A   4          H5''        A   4  -5.623   2.328  -0.476
   36   2H5*    A   4          H5'         A   4  -7.140   2.984  -1.127
   37    H4*    A   4           H4'        A   4  -5.531   4.761  -0.410
   38    H3*    A   4           H3'        A   4  -7.084   4.685  -2.708
   39    H1*    A   4           H1'        A   4  -3.223   5.607  -2.925
   40    H8     A   4           H8         A   4  -4.554   2.362  -4.570
   41   1H6     A   4          H61         A   4   1.294   1.388  -6.274
   42   2H6     A   4          H62         A   4  -0.351   0.804  -6.396
   43    H2     A   4           H2         A   4   1.201   5.032  -3.680
   44   1H2*    A   4          H2'         A   4  -5.481   4.236  -4.304
   45   2H2*    A   4          H2''        A   4  -5.123   5.981  -4.162
   46   1H5*    G   5          H5''        G   5  -5.763   8.457  -0.645
   47   2H5*    G   5          H5'         G   5  -5.702  10.164  -1.120
   48    H4*    G   5           H4'        G   5  -3.567   9.017  -0.152
   49    H3*    G   5           H3'        G   5  -3.977  11.157  -1.973
   50    H1*    G   5           H1'        G   5  -1.283   8.259  -2.570
   51    H8     G   5           H8         G   5  -4.680   7.916  -4.392
   52    H1     G   5           H1         G   5   0.403   6.301  -7.895
   53   1H2     G   5          H21         G   5   2.256   7.465  -5.169
   54   2H2     G   5          H22         G   5   2.277   6.760  -6.771
   55   1H2*    G   5          H2'         G   5  -2.904  10.386  -3.832
   56   2H2*    G   5          H2''        G   5  -1.389  10.509  -2.890
   57   1H5*    A   6          H5''        A   6  -2.381  13.732   1.294
   58   2H5*    A   6          H5'         A   6  -0.752  14.315   1.686
   59    H4*    A   6           H4'        A   6  -1.917  13.265   3.618
   60    H3*    A   6           H3'        A   6   0.720  12.547   2.585
   61    H1*    A   6           H1'        A   6  -1.860   9.764   3.892
   62    H8     A   6           H8         A   6   0.535  10.243   0.883
   63   1H6     A   6          H61         A   6  -2.029   5.089  -1.353
   64   2H6     A   6          H62         A   6  -0.776   6.286  -1.606
   65    H2     A   6           H2         A   6  -4.248   6.239   2.342
   66   1H2*    A   6          H2'         A   6   0.820  10.346   3.146
   67   2H2*    A   6          H2''        A   6   0.035  10.652   4.722
   68   1H5*    G   7          H5''        G   7  -1.012  12.040   6.525
   69   2H5*    G   7          H5'         G   7  -0.024  12.614   7.882
   70    H4*    G   7           H4'        G   7  -1.506  10.774   8.562
   71    H3*    G   7           H3'        G   7   1.389  10.773   8.818
   72    H1*    G   7           H1'        G   7  -0.745   7.504   7.853
   73    H8     G   7           H8         G   7   2.680   8.688   6.693
   74    H1     G   7           H1         G   7  -0.257   4.918   2.462
   75   1H2     G   7          H21         G   7  -3.046   5.310   4.552
   76   2H2     G   7          H22         G   7  -2.389   4.599   3.092
   77   1H2*    G   7          H2'         G   7   1.865   8.590   8.450
   78   2H2*    G   7          H2''        G   7   0.576   8.092   9.581
   79   1H5*    A   8          H5''        A   8  -0.360   7.770  11.459
   80   2H5*    A   8          H5'         A   8  -0.372   8.558  13.050
   81    H4*    A   8           H4'        A   8  -0.104   6.084  13.181
   82    H3*    A   8           H3'        A   8   1.485   8.098  14.449
   83    H1*    A   8           H1'        A   8   3.118   4.811  12.819
   84    H8     A   8           H8         A   8   4.075   8.525  12.343
   85   1H6     A   8          H61         A   8   7.979   6.493   8.026
   86   2H6     A   8          H62         A   8   7.450   7.889   8.937
   87    H2     A   8           H2         A   8   5.506   3.023   9.390
   88   1H2*    A   8          H2'         A   8   3.591   7.411  14.051
   89   2H2*    A   8          H2''        A   8   3.213   5.846  14.823
   90   1H5*    G   9          H5''        G   9  -1.527   5.335  14.393
   91   2H5*    G   9          H5'         G   9  -1.680   4.168  15.721
   92    H4*    G   9           H4'        G   9  -3.138   3.597  13.804
   93    H3*    G   9           H3'        G   9  -1.168   1.872  15.046
   94    H1*    G   9           H1'        G   9  -2.137   1.931  11.184
   95    H8     G   9           H8         G   9   1.179   3.612  12.182
   96    H1     G   9           H1         G   9   1.587  -0.198   7.075
   97   1H2     G   9          H21         G   9  -1.665  -1.164   7.948
   98   2H2     G   9          H22         G   9  -0.320  -1.356   6.845
   99   1H2*    G   9          H2'         G   9  -0.276   0.887  13.217
  100   2H2*    G   9          H2''        G   9  -1.911   0.319  12.761
  101   1H5*    C  10          H5''        C  10  -4.931  -0.137  13.040
  102   2H5*    C  10          H5'         C  10  -5.516  -1.354  14.192
  103    H4*    C  10           H4'        C  10  -5.763  -2.124  11.868
  104    H3*    C  10           H3'        C  10  -4.214  -3.497  13.929
  105    H1*    C  10           H1'        C  10  -2.937  -3.304  10.130
  106   1H4     C  10          H41         C  10   2.572  -1.341  13.259
  107   2H4     C  10          H42         C  10   2.985  -1.631  11.582
  108    H5     C  10           H5         C  10   0.349  -1.666  14.143
  109    H6     C  10           H6         C  10  -1.965  -2.281  13.588
  110    H3T    C  10           H3T        C  10  -6.479  -3.778  12.994
  111   1H2*    C  10          H2'         C  10  -2.638  -4.546  12.668
  112   2H2*    C  10          H2''        C  10  -3.832  -4.940  11.400
  113    H13  NCG  11           H13      NCS  11  -4.977  -4.682   6.500
  114    H8   NCG  11           H8       NCS  11  -3.303  -0.096   2.661
  115    H2   NCG  11           H2       NCS  11  -3.891  -0.793   7.488
  116    H6   NCG  11           H6       NCS  11  -3.126  -2.984   2.537
  117   H14A  NCG  11          H14A      NCS  11  -5.219  -3.999   8.613
  118   H14B  NCG  11          H14B      NCS  11  -4.051  -2.680   8.356
  119    H12  NCG  11           H12      NCS  11  -3.473   1.954   7.562
  120    H66  NCG  11           H66      NCS  11  -1.684  -3.233   6.269
  121    H5   NCG  11           H5       NCS  11  -3.275  -4.859   4.432
  122   H8''  NCG  11          H8''      NCS  11  -0.370   2.643   4.653
  123   H6''  NCG  11          H6''      NCS  11   3.718   2.724   3.458
  124   H3''  NCG  11          H3''      NCS  11   1.962   5.533   9.231
  125   H4''  NCG  11          H4''      NCS  11   3.732   4.973   7.608
  126   HNM1  NCG  11          HNM1      NCS  11   5.263   4.212   4.581
  127   HNM2  NCG  11          HNM2      NCS  11   5.290   3.284   6.080
  128   HNM3  NCG  11          HNM3      NCS  11   4.835   4.988   6.103
  129   H7M1  NCG  11          H7M1      NCS  11  -0.685   1.753   2.972
  130   H7M2  NCG  11          H7M2      NCS  11   0.259   0.589   3.915
  131   H7M3  NCG  11          H7M3      NCS  11   0.128   0.412   2.160
  132    H92  NCG  11           H92      NCS  11  -0.106   5.282   9.834
  133    H11  NCG  11           H11      NCS  11  -3.603   3.907   5.696
  134    H5'  NCG  11           H5'      NCS  11  -6.296   0.833   4.252
  135    H4'  NCG  11           H4'      NCS  11  -8.659   1.009   3.573
  136   H104  NCG  11          H104      NCS  11  -7.476   0.958   1.086
  137    H1'  NCG  11           H1'      NCS  11  -4.474   2.916   1.976
  138    H10  NCG  11           H10      NCS  11  -2.950   2.540   3.461
  139   H108  NCG  11          H108      NCS  11  -5.311   4.840   2.397
  140    H2'  NCG  11           H2'      NCS  11  -6.771   3.332   1.237
  141   H2M1  NCG  11          H2M1      NCS  11  -5.584   6.217   3.929
  142   H2M2  NCG  11          H2M2      NCS  11  -6.071   4.653   4.647
  143   H2M3  NCG  11          H2M3      NCS  11  -7.317   5.805   4.084
  144   H2NH  NCG  11          H2NH      NCS  11  -6.644   5.437   1.903
  145   HFM1  NCG  11          HFM1      NCS  11  -7.485  -1.244   3.581
  146   HFM2  NCG  11          HFM2      NCS  11  -5.771  -1.342   3.154
  147   HFM3  NCG  11          HFM3      NCS  11  -6.978  -1.001   1.903
  148    H3'  NCG  11           H3'      NCS  11  -7.561   3.104   4.162
  149   H120  NCG  11          H120      NCS  11  -9.265   3.014   1.991
  150    HA   NCG  11           HA       NCS  11  -8.333   1.681   7.554
  151    HB1  NCG  11           HB1      NCS  11  -5.573   1.185   8.737
  152    HB2  NCG  11           HB2      NCS  11  -6.313   0.248   7.443
  153    H9   NCG  11           H9       NCS  11  -6.812   3.143   9.533
  154    H3   NCG  11           H3       NCS  11  -8.264  -0.834   8.117
  155    H1   NCG  11           H1       NCS  11  -7.199  -1.421  10.362
  156    H7   NCG  11           H7       NCS  11  -8.095  -2.595   9.401
  157    H4   NCG  11           H4       NCS  11 -10.947  -2.023  11.705
  158    H14  NCG  11           H14      NCS  11  -7.077   5.926   8.726
  159    H15  NCG  11           H15      NCS  11  -6.560   5.783   7.045
  160    H16  NCG  11           H16      NCS  11  -4.764   4.163   7.776
  161    H17  NCG  11           H17      NCS  11  -5.241   4.441   9.451
  162    H18  NCG  11           H18      NCS  11  -4.858   6.960   8.984
  163    H21  NCG  11           H21      NCS  11  -2.326   7.277   6.359
  164    H19  NCG  11           H19      NCS  11  -2.546   6.696   9.285
  165    H20  NCG  11           H20      NCS  11  -2.645   5.107   8.942
  Start of MODEL    5
    1   1H5*    G   1          H5''        G   1   8.395  -7.339   4.981
    2   2H5*    G   1          H5'         G   1   8.912  -6.607   3.449
    3    H4*    G   1           H4'        G   1   6.501  -7.125   3.441
    4    H3*    G   1           H3'        G   1   7.692  -4.598   2.841
    5    H1*    G   1           H1'        G   1   4.242  -5.147   4.693
    6    H8     G   1           H8         G   1   7.266  -3.711   6.719
    7    H1     G   1           H1         G   1   1.490  -2.412   9.107
    8   1H2     G   1          H21         G   1   0.303  -4.095   6.272
    9   2H2     G   1          H22         G   1  -0.091  -3.226   7.740
   10    H5T    G   1           H5T        G   1   8.170  -5.050   5.690
   11   1H2*    G   1          H2'         G   1   6.505  -3.252   4.248
   12   2H2*    G   1          H2''        G   1   5.086  -3.607   3.216
   13   1H5*    C   2          H5''        C   2   3.278  -5.984   1.621
   14   2H5*    C   2          H5'         C   2   3.104  -5.464  -0.066
   15    H4*    C   2           H4'        C   2   0.937  -5.502   1.067
   16    H3*    C   2           H3'        C   2   2.107  -3.131  -0.154
   17    H1*    C   2           H1'        C   2   0.075  -2.943   3.315
   18   1H4     C   2          H41         C   2   5.559   0.326   5.129
   19   2H4     C   2          H42         C   2   4.366   0.558   6.389
   20    H5     C   2           H5         C   2   5.138  -0.969   3.138
   21    H6     C   2           H6         C   2   3.479  -2.321   1.929
   22   1H2*    C   2          H2'         C   2   1.274  -1.487   1.172
   23   2H2*    C   2          H2''        C   2  -0.336  -2.263   1.204
   24   1H5*    C   3          H5''        C   3  -2.146  -2.678   0.580
   25   2H5*    C   3          H5'         C   3  -2.913  -2.885  -1.007
   26    H4*    C   3           H4'        C   3  -4.130  -1.307   0.511
   27    H3*    C   3           H3'        C   3  -3.513  -1.001  -2.228
   28    H1*    C   3           H1'        C   3  -3.332   1.917   0.417
   29   1H4     C   3          H41         C   3   3.027   3.590  -0.403
   30   2H4     C   3          H42         C   3   2.336   4.697   0.764
   31    H5     C   3           H5         C   3   1.783   1.762  -1.383
   32    H6     C   3           H6         C   3  -0.378   0.603  -1.431
   33   1H2*    C   3          H2'         C   3  -2.206   0.885  -2.150
   34   2H2*    C   3          H2''        C   3  -3.736   1.753  -1.832
   35   1H5*    A   4          H5''        A   4  -5.547   2.206  -0.543
   36   2H5*    A   4          H5'         A   4  -7.026   2.855  -1.279
   37    H4*    A   4           H4'        A   4  -5.410   4.629  -0.584
   38    H3*    A   4           H3'        A   4  -6.862   4.447  -2.967
   39    H1*    A   4           H1'        A   4  -2.990   5.410  -2.964
   40    H8     A   4           H8         A   4  -4.293   2.127  -4.583
   41   1H6     A   4          H61         A   4   1.561   1.242  -6.327
   42   2H6     A   4          H62         A   4  -0.071   0.617  -6.417
   43    H2     A   4           H2         A   4   1.408   4.949  -3.826
   44   1H2*    A   4          H2'         A   4  -5.179   4.100  -4.493
   45   2H2*    A   4          H2''        A   4  -4.830   5.838  -4.263
   46   1H5*    G   5          H5''        G   5  -5.876   8.026  -0.766
   47   2H5*    G   5          H5'         G   5  -6.042   9.781  -0.970
   48    H4*    G   5           H4'        G   5  -3.778   8.860  -0.138
   49    H3*    G   5           H3'        G   5  -4.444  11.056  -1.838
   50    H1*    G   5           H1'        G   5  -1.378   8.583  -2.416
   51    H8     G   5           H8         G   5  -4.481   7.737  -4.522
   52    H1     G   5           H1         G   5   0.996   7.721  -7.799
   53   1H2     G   5          H21         G   5   2.380   9.039  -4.872
   54   2H2     G   5          H22         G   5   2.648   8.519  -6.521
   55   1H2*    G   5          H2'         G   5  -3.201  10.557  -3.680
   56   2H2*    G   5          H2''        G   5  -1.755  10.828  -2.662
   57   1H5*    A   6          H5''        A   6  -3.435  13.541   1.679
   58   2H5*    A   6          H5'         A   6  -1.970  14.448   2.100
   59    H4*    A   6           H4'        A   6  -2.874  13.147   4.008
   60    H3*    A   6           H3'        A   6  -0.162  13.002   2.955
   61    H1*    A   6           H1'        A   6  -2.096   9.671   4.107
   62    H8     A   6           H8         A   6   0.092  10.834   1.127
   63   1H6     A   6          H61         A   6  -1.545   5.510  -1.530
   64   2H6     A   6          H62         A   6  -0.543   6.937  -1.686
   65    H2     A   6           H2         A   6  -3.849   5.915   2.272
   66   1H2*    A   6          H2'         A   6   0.389  10.840   3.407
   67   2H2*    A   6          H2''        A   6  -0.428  10.904   4.993
   68   1H5*    G   7          H5''        G   7  -1.601  11.924   6.888
   69   2H5*    G   7          H5'         G   7  -0.670  12.491   8.289
   70    H4*    G   7           H4'        G   7  -1.707  10.297   8.716
   71    H3*    G   7           H3'        G   7   1.191  10.799   8.797
   72    H1*    G   7           H1'        G   7  -0.664   7.418   7.806
   73    H8     G   7           H8         G   7   2.666   8.738   6.524
   74    H1     G   7           H1         G   7  -0.247   4.817   2.415
   75   1H2     G   7          H21         G   7  -2.976   5.103   4.593
   76   2H2     G   7          H22         G   7  -2.338   4.405   3.120
   77   1H2*    G   7          H2'         G   7   1.910   8.719   8.278
   78   2H2*    G   7          H2''        G   7   0.773   7.996   9.452
   79   1H5*    A   8          H5''        A   8  -0.180   7.637  11.523
   80   2H5*    A   8          H5'         A   8  -0.083   8.325  13.156
   81    H4*    A   8           H4'        A   8   0.293   5.855  13.090
   82    H3*    A   8           H3'        A   8   1.878   7.867  14.373
   83    H1*    A   8           H1'        A   8   3.511   4.753  12.445
   84    H8     A   8           H8         A   8   4.241   8.538  12.070
   85   1H6     A   8          H61         A   8   8.056   6.887   7.519
   86   2H6     A   8          H62         A   8   7.464   8.222   8.484
   87    H2     A   8           H2         A   8   5.926   3.213   8.931
   88   1H2*    A   8          H2'         A   8   3.978   7.300  13.793
   89   2H2*    A   8          H2''        A   8   3.718   5.677  14.495
   90   1H5*    G   9          H5''        G   9  -0.985   5.179  14.538
   91   2H5*    G   9          H5'         G   9  -1.119   3.910  15.770
   92    H4*    G   9           H4'        G   9  -2.768   3.660  13.919
   93    H3*    G   9           H3'        G   9  -0.946   1.656  14.932
   94    H1*    G   9           H1'        G   9  -2.034   2.070  11.113
   95    H8     G   9           H8         G   9   1.448   3.361  12.147
   96    H1     G   9           H1         G   9   1.421  -0.166   6.825
   97   1H2     G   9          H21         G   9  -1.929  -0.785   7.652
   98   2H2     G   9          H22         G   9  -0.614  -1.072   6.531
   99   1H2*    G   9          H2'         G   9  -0.233   0.717  13.002
  100   2H2*    G   9          H2''        G   9  -1.935   0.352  12.587
  101   1H5*    C  10          H5''        C  10  -5.049  -0.042  13.265
  102   2H5*    C  10          H5'         C  10  -5.537  -1.408  14.289
  103    H4*    C  10           H4'        C  10  -5.855  -1.860  11.869
  104    H3*    C  10           H3'        C  10  -4.285  -3.482  13.724
  105    H1*    C  10           H1'        C  10  -3.022  -2.818   9.977
  106   1H4     C  10          H41         C  10   2.484  -1.398  13.393
  107   2H4     C  10          H42         C  10   2.917  -1.515  11.701
  108    H5     C  10           H5         C  10   0.228  -1.735  14.201
  109    H6     C  10           H6         C  10  -2.091  -2.211  13.545
  110    H3T    C  10           H3T        C  10  -6.229  -3.933  11.700
  111   1H2*    C  10          H2'         C  10  -2.748  -4.395  12.314
  112   2H2*    C  10          H2''        C  10  -3.962  -4.589  11.017
  113    H13  NCG  11           H13      NCS  11  -5.353  -4.634   6.620
  114    H8   NCG  11           H8       NCS  11  -3.399  -0.225   2.728
  115    H2   NCG  11           H2       NCS  11  -4.081  -0.785   7.561
  116    H6   NCG  11           H6       NCS  11  -3.348  -3.117   2.671
  117   H14A  NCG  11          H14A      NCS  11  -5.583  -3.914   8.719
  118   H14B  NCG  11          H14B      NCS  11  -4.370  -2.638   8.459
  119    H12  NCG  11           H12      NCS  11  -3.530   1.941   7.576
  120    H66  NCG  11           H66      NCS  11  -2.791  -4.455   7.023
  121    H5   NCG  11           H5       NCS  11  -3.607  -4.940   4.604
  122   H8''  NCG  11          H8''      NCS  11  -0.457   2.543   4.555
  123   H6''  NCG  11          H6''      NCS  11   3.596   2.400   3.253
  124   H3''  NCG  11          H3''      NCS  11   2.123   5.456   8.981
  125   H4''  NCG  11          H4''      NCS  11   3.823   4.772   7.332
  126   HNM1  NCG  11          HNM1      NCS  11   5.240   3.845   4.294
  127   HNM2  NCG  11          HNM2      NCS  11   5.264   2.954   5.814
  128   HNM3  NCG  11          HNM3      NCS  11   4.889   4.678   5.806
  129   H7M1  NCG  11          H7M1      NCS  11  -0.090   0.187   2.129
  130   H7M2  NCG  11          H7M2      NCS  11  -0.854   1.572   2.918
  131   H7M3  NCG  11          H7M3      NCS  11   0.100   0.424   3.872
  132    H92  NCG  11           H92      NCS  11   0.059   5.327   9.640
  133    H11  NCG  11           H11      NCS  11  -3.585   3.856   5.665
  134    H5'  NCG  11           H5'      NCS  11  -6.374   0.845   4.245
  135    H4'  NCG  11           H4'      NCS  11  -8.715   1.142   3.560
  136   H104  NCG  11          H104      NCS  11  -7.540   0.979   1.073
  137    H1'  NCG  11           H1'      NCS  11  -4.432   2.811   1.954
  138    H10  NCG  11           H10      NCS  11  -2.952   2.411   3.470
  139   H108  NCG  11          H108      NCS  11  -5.270   4.839   2.039
  140    H2'  NCG  11           H2'      NCS  11  -6.706   3.293   1.166
  141   H2M1  NCG  11          H2M1      NCS  11  -5.728   6.459   3.611
  142   H2M2  NCG  11          H2M2      NCS  11  -4.971   4.931   4.149
  143   H2M3  NCG  11          H2M3      NCS  11  -6.716   5.209   4.422
  144   H2NH  NCG  11          H2NH      NCS  11  -6.687   5.431   1.896
  145   HFM1  NCG  11          HFM1      NCS  11  -7.642  -1.182   3.593
  146   HFM2  NCG  11          HFM2      NCS  11  -5.938  -1.357   3.147
  147   HFM3  NCG  11          HFM3      NCS  11  -7.143  -0.970   1.908
  148    H3'  NCG  11           H3'      NCS  11  -7.525   3.202   4.092
  149   H120  NCG  11          H120      NCS  11  -9.266   3.088   1.973
  150    HA   NCG  11           HA       NCS  11  -8.383   1.867   7.588
  151    HB1  NCG  11           HB1      NCS  11  -5.638   1.315   8.786
  152    HB2  NCG  11           HB2      NCS  11  -6.416   0.353   7.531
  153    H9   NCG  11           H9       NCS  11  -6.813   3.317   9.538
  154    H3   NCG  11           H3       NCS  11  -8.356  -0.657   8.223
  155    H1   NCG  11           H1       NCS  11  -7.352  -1.178  10.510
  156    H7   NCG  11           H7       NCS  11  -8.266  -2.372   9.587
  157    H4   NCG  11           H4       NCS  11 -11.114  -1.838  11.813
  158    H14  NCG  11           H14      NCS  11  -6.985   6.098   8.659
  159    H15  NCG  11           H15      NCS  11  -6.444   5.876   6.993
  160    H16  NCG  11           H16      NCS  11  -4.728   4.217   7.811
  161    H17  NCG  11           H17      NCS  11  -5.233   4.553   9.468
  162    H18  NCG  11           H18      NCS  11  -4.725   7.029   8.997
  163    H21  NCG  11           H21      NCS  11  -2.230   7.303   6.352
  164    H19  NCG  11           H19      NCS  11  -2.467   6.715   9.343
  165    H20  NCG  11           H20      NCS  11  -2.526   5.166   8.850
  Start of MODEL    6
    1   1H5*    G   1          H5''        G   1   8.877  -6.190   4.600
    2   2H5*    G   1          H5'         G   1   9.155  -5.416   3.025
    3    H4*    G   1           H4'        G   1   6.895  -6.393   3.168
    4    H3*    G   1           H3'        G   1   7.541  -3.700   2.464
    5    H1*    G   1           H1'        G   1   4.370  -4.824   4.567
    6    H8     G   1           H8         G   1   7.237  -2.771   6.264
    7    H1     G   1           H1         G   1   1.561  -2.495   9.168
    8   1H2     G   1          H21         G   1   0.476  -4.534   6.538
    9   2H2     G   1          H22         G   1   0.058  -3.678   8.008
   10    H5T    G   1           H5T        G   1   8.233  -3.959   5.264
   11   1H2*    G   1          H2'         G   1   6.182  -2.559   3.892
   12   2H2*    G   1          H2''        G   1   4.806  -3.240   2.973
   13   1H5*    C   2          H5''        C   2   3.280  -5.758   1.516
   14   2H5*    C   2          H5'         C   2   3.010  -5.300  -0.177
   15    H4*    C   2           H4'        C   2   0.883  -5.525   1.009
   16    H3*    C   2           H3'        C   2   1.787  -3.124  -0.327
   17    H1*    C   2           H1'        C   2  -0.100  -2.933   3.233
   18   1H4     C   2          H41         C   2   5.242   0.685   4.777
   19   2H4     C   2          H42         C   2   4.216   0.649   6.194
   20    H5     C   2           H5         C   2   4.692  -0.435   2.718
   21    H6     C   2           H6         C   2   3.070  -1.902   1.597
   22   1H2*    C   2          H2'         C   2   0.991  -1.484   1.022
   23   2H2*    C   2          H2''        C   2  -0.596  -2.297   1.126
   24   1H5*    C   3          H5''        C   3  -2.418  -2.729   0.503
   25   2H5*    C   3          H5'         C   3  -3.269  -2.912  -1.044
   26    H4*    C   3           H4'        C   3  -4.353  -1.250   0.440
   27    H3*    C   3           H3'        C   3  -3.634  -0.921  -2.292
   28    H1*    C   3           H1'        C   3  -3.454   1.876   0.475
   29   1H4     C   3          H41         C   3   2.937   3.477  -0.285
   30   2H4     C   3          H42         C   3   2.228   4.645   0.810
   31    H5     C   3           H5         C   3   1.702   1.622  -1.218
   32    H6     C   3           H6         C   3  -0.479   0.503  -1.304
   33   1H2*    C   3          H2'         C   3  -2.326   0.950  -2.137
   34   2H2*    C   3          H2''        C   3  -3.845   1.829  -1.790
   35   1H5*    A   4          H5''        A   4  -5.710   2.321  -0.535
   36   2H5*    A   4          H5'         A   4  -7.095   3.031  -1.391
   37    H4*    A   4           H4'        A   4  -5.508   4.751  -0.523
   38    H3*    A   4           H3'        A   4  -6.720   4.636  -3.036
   39    H1*    A   4           H1'        A   4  -2.913   5.561  -2.580
   40    H8     A   4           H8         A   4  -3.807   2.322  -4.529
   41   1H6     A   4          H61         A   4   2.285   1.726  -5.325
   42   2H6     A   4          H62         A   4   0.716   1.058  -5.719
   43    H2     A   4           H2         A   4   1.577   5.261  -2.677
   44   1H2*    A   4          H2'         A   4  -4.881   4.162  -4.351
   45   2H2*    A   4          H2''        A   4  -4.549   5.910  -4.173
   46   1H5*    G   5          H5''        G   5  -5.709   8.533  -0.883
   47   2H5*    G   5          H5'         G   5  -5.599  10.203  -1.466
   48    H4*    G   5           H4'        G   5  -3.591   9.120  -0.165
   49    H3*    G   5           H3'        G   5  -3.806  11.185  -2.113
   50    H1*    G   5           H1'        G   5  -1.009   8.329  -2.221
   51    H8     G   5           H8         G   5  -4.102   7.808  -4.473
   52    H1     G   5           H1         G   5   1.475   6.415  -7.246
   53   1H2     G   5          H21         G   5   2.888   7.745  -4.339
   54   2H2     G   5          H22         G   5   3.159   7.013  -5.905
   55   1H2*    G   5          H2'         G   5  -2.462  10.387  -3.767
   56   2H2*    G   5          H2''        G   5  -1.098  10.569  -2.625
   57   1H5*    A   6          H5''        A   6  -2.980  13.743   1.262
   58   2H5*    A   6          H5'         A   6  -1.540  14.617   1.814
   59    H4*    A   6           H4'        A   6  -2.678  13.507   3.684
   60    H3*    A   6           H3'        A   6   0.088  13.036   2.906
   61    H1*    A   6           H1'        A   6  -2.303  10.057   4.155
   62    H8     A   6           H8         A   6   0.315  10.457   1.344
   63   1H6     A   6          H61         A   6  -1.979   5.187  -0.908
   64   2H6     A   6          H62         A   6  -0.712   6.382  -1.082
   65    H2     A   6           H2         A   6  -4.573   6.476   2.487
   66   1H2*    A   6          H2'         A   6   0.356  10.861   3.486
   67   2H2*    A   6          H2''        A   6  -0.519  11.112   5.022
   68   1H5*    G   7          H5''        G   7  -1.650  12.105   6.770
   69   2H5*    G   7          H5'         G   7  -0.732  12.644   8.190
   70    H4*    G   7           H4'        G   7  -1.823  10.484   8.606
   71    H3*    G   7           H3'        G   7   1.104  10.859   8.670
   72    H1*    G   7           H1'        G   7  -0.907   7.569   7.693
   73    H8     G   7           H8         G   7   2.505   8.770   6.507
   74    H1     G   7           H1         G   7  -0.408   4.905   2.344
   75   1H2     G   7          H21         G   7  -3.184   5.276   4.450
   76   2H2     G   7          H22         G   7  -2.526   4.555   2.996
   77   1H2*    G   7          H2'         G   7   1.710   8.718   8.253
   78   2H2*    G   7          H2''        G   7   0.481   8.099   9.392
   79   1H5*    A   8          H5''        A   8  -0.302   7.677  11.396
   80   2H5*    A   8          H5'         A   8  -0.119   8.400  13.007
   81    H4*    A   8           H4'        A   8   0.255   5.940  12.998
   82    H3*    A   8           H3'        A   8   2.025   7.978  14.041
   83    H1*    A   8           H1'        A   8   3.164   4.578  12.324
   84    H8     A   8           H8         A   8   4.577   8.107  11.623
   85   1H6     A   8          H61         A   8   7.789   5.431   7.089
   86   2H6     A   8          H62         A   8   7.528   6.915   7.979
   87    H2     A   8           H2         A   8   5.024   2.366   8.812
   88   1H2*    A   8          H2'         A   8   4.025   7.187  13.390
   89   2H2*    A   8          H2''        A   8   3.687   5.660  14.252
   90   1H5*    G   9          H5''        G   9  -1.073   5.344  14.310
   91   2H5*    G   9          H5'         G   9  -1.157   4.153  15.621
   92    H4*    G   9           H4'        G   9  -2.777   3.705  13.785
   93    H3*    G   9           H3'        G   9  -0.845   1.857  14.908
   94    H1*    G   9           H1'        G   9  -2.023   1.992  11.096
   95    H8     G   9           H8         G   9   1.427   3.420  12.008
   96    H1     G   9           H1         G   9   1.450  -0.368   6.871
   97   1H2     G   9          H21         G   9  -1.851  -1.092   7.793
   98   2H2     G   9          H22         G   9  -0.542  -1.377   6.666
   99   1H2*    G   9          H2'         G   9  -0.168   0.786  13.034
  100   2H2*    G   9          H2''        G   9  -1.872   0.371  12.679
  101   1H5*    C  10          H5''        C  10  -4.754  -0.018  13.084
  102   2H5*    C  10          H5'         C  10  -5.349  -1.153  14.313
  103    H4*    C  10           H4'        C  10  -5.687  -2.062  12.064
  104    H3*    C  10           H3'        C  10  -4.033  -3.334  14.113
  105    H1*    C  10           H1'        C  10  -2.882  -3.320  10.275
  106   1H4     C  10          H41         C  10   2.624  -1.170  13.293
  107   2H4     C  10          H42         C  10   2.985  -1.354  11.591
  108    H5     C  10           H5         C  10   0.448  -1.652  14.237
  109    H6     C  10           H6         C  10  -1.849  -2.357  13.728
  110    H3T    C  10           H3T        C  10  -6.343  -3.659  13.380
  111   1H2*    C  10          H2'         C  10  -2.555  -4.494  12.824
  112   2H2*    C  10          H2''        C  10  -3.813  -4.883  11.617
  113    H13  NCG  11           H13      NCS  11  -5.110  -4.677   6.688
  114    H8   NCG  11           H8       NCS  11  -3.604  -0.191   2.660
  115    H2   NCG  11           H2       NCS  11  -3.969  -0.766   7.525
  116    H6   NCG  11           H6       NCS  11  -3.441  -3.082   2.599
  117   H14A  NCG  11          H14A      NCS  11  -5.303  -3.913   8.780
  118   H14B  NCG  11          H14B      NCS  11  -4.118  -2.628   8.444
  119    H12  NCG  11           H12      NCS  11  -3.537   1.979   7.509
  120    H66  NCG  11           H66      NCS  11  -1.833  -3.304   6.261
  121    H5   NCG  11           H5       NCS  11  -3.507  -4.909   4.544
  122   H8''  NCG  11          H8''      NCS  11  -0.553   2.501   4.502
  123   H6''  NCG  11          H6''      NCS  11   3.514   2.379   3.242
  124   H3''  NCG  11          H3''      NCS  11   1.948   5.572   8.868
  125   H4''  NCG  11          H4''      NCS  11   3.671   4.869   7.251
  126   HNM1  NCG  11          HNM1      NCS  11   5.128   3.873   4.259
  127   HNM2  NCG  11          HNM2      NCS  11   5.146   3.026   5.806
  128   HNM3  NCG  11          HNM3      NCS  11   4.752   4.744   5.743
  129   H7M1  NCG  11          H7M1      NCS  11  -0.161   0.112   2.135
  130   H7M2  NCG  11          H7M2      NCS  11  -0.924   1.526   2.872
  131   H7M3  NCG  11          H7M3      NCS  11   0.000   0.395   3.875
  132    H92  NCG  11           H92      NCS  11  -0.119   5.357   9.545
  133    H11  NCG  11           H11      NCS  11  -3.771   3.886   5.601
  134    H5'  NCG  11           H5'      NCS  11  -6.540   0.781   4.288
  135    H4'  NCG  11           H4'      NCS  11  -8.913   0.996   3.664
  136   H104  NCG  11          H104      NCS  11  -7.788   0.933   1.143
  137    H1'  NCG  11           H1'      NCS  11  -4.741   2.818   1.939
  138    H10  NCG  11           H10      NCS  11  -3.198   2.456   3.378
  139   H108  NCG  11          H108      NCS  11  -5.549   4.760   2.331
  140    H2'  NCG  11           H2'      NCS  11  -7.061   3.232   1.245
  141   H2M1  NCG  11          H2M1      NCS  11  -7.540   5.364   4.232
  142   H2M2  NCG  11          H2M2      NCS  11  -6.199   6.421   3.700
  143   H2M3  NCG  11          H2M3      NCS  11  -5.844   4.855   4.490
  144   H2NH  NCG  11          H2NH      NCS  11  -6.882   5.356   1.835
  145   HFM1  NCG  11          HFM1      NCS  11  -7.214  -1.061   1.943
  146   HFM2  NCG  11          HFM2      NCS  11  -7.833  -1.264   3.589
  147   HFM3  NCG  11          HFM3      NCS  11  -6.099  -1.416   3.272
  148    H3'  NCG  11           H3'      NCS  11  -7.749   3.076   4.202
  149   H120  NCG  11          H120      NCS  11  -9.537   2.999   2.099
  150    HA   NCG  11           HA       NCS  11  -8.397   1.695   7.710
  151    HB1  NCG  11           HB1      NCS  11  -5.596   1.233   8.811
  152    HB2  NCG  11           HB2      NCS  11  -6.375   0.260   7.567
  153    H9   NCG  11           H9       NCS  11  -6.804   3.186   9.608
  154    H3   NCG  11           H3       NCS  11  -8.319  -0.811   8.305
  155    H1   NCG  11           H1       NCS  11  -7.207  -1.328  10.575
  156    H7   NCG  11           H7       NCS  11  -8.036  -2.538   9.596
  157    H4   NCG  11           H4       NCS  11 -10.943  -2.150  11.848
  158    H14  NCG  11           H14      NCS  11  -7.128   5.959   8.775
  159    H15  NCG  11           H15      NCS  11  -6.688   5.791   7.075
  160    H16  NCG  11           H16      NCS  11  -4.849   4.200   7.743
  161    H17  NCG  11           H17      NCS  11  -5.258   4.477   9.436
  162    H18  NCG  11           H18      NCS  11  -4.905   6.992   8.967
  163    H21  NCG  11           H21      NCS  11  -2.492   7.323   6.237
  164    H19  NCG  11           H19      NCS  11  -2.598   6.756   9.177
  165    H20  NCG  11           H20      NCS  11  -2.665   5.184   8.760
  Start of MODEL    7
    1   1H5*    G   1          H5''        G   1   7.892  -7.233   4.854
    2   2H5*    G   1          H5'         G   1   8.597  -6.380   3.465
    3    H4*    G   1           H4'        G   1   6.188  -6.761   3.146
    4    H3*    G   1           H3'        G   1   7.526  -4.221   3.037
    5    H1*    G   1           H1'        G   1   3.863  -4.807   4.516
    6    H8     G   1           H8         G   1   6.928  -3.479   6.548
    7    H1     G   1           H1         G   1   1.260  -2.800   9.405
    8   1H2     G   1          H21         G   1  -0.007  -4.356   6.535
    9   2H2     G   1          H22         G   1  -0.355  -3.635   8.091
   10    H5T    G   1           H5T        G   1   7.703  -5.046   5.797
   11   1H2*    G   1          H2'         G   1   6.152  -2.950   4.306
   12   2H2*    G   1          H2''        G   1   4.841  -3.285   3.134
   13   1H5*    C   2          H5''        C   2   3.504  -5.412   1.411
   14   2H5*    C   2          H5'         C   2   3.236  -4.829  -0.244
   15    H4*    C   2           H4'        C   2   1.112  -5.066   0.958
   16    H3*    C   2           H3'        C   2   2.100  -2.588  -0.203
   17    H1*    C   2           H1'        C   2   0.135  -2.683   3.308
   18   1H4     C   2          H41         C   2   5.362   0.895   5.289
   19   2H4     C   2          H42         C   2   4.208   0.888   6.605
   20    H5     C   2           H5         C   2   4.992  -0.243   3.202
   21    H6     C   2           H6         C   2   3.426  -1.635   1.916
   22   1H2*    C   2          H2'         C   2   1.268  -1.051   1.235
   23   2H2*    C   2          H2''        C   2  -0.322  -1.866   1.253
   24   1H5*    C   3          H5''        C   3  -2.160  -2.266   0.655
   25   2H5*    C   3          H5'         C   3  -2.878  -2.613  -0.930
   26    H4*    C   3           H4'        C   3  -4.259  -1.059   0.449
   27    H3*    C   3           H3'        C   3  -3.598  -0.857  -2.262
   28    H1*    C   3           H1'        C   3  -3.480   2.270   0.156
   29   1H4     C   3          H41         C   3   2.920   3.794  -0.484
   30   2H4     C   3          H42         C   3   2.250   4.863   0.731
   31    H5     C   3           H5         C   3   1.649   2.023  -1.526
   32    H6     C   3           H6         C   3  -0.527   0.898  -1.617
   33   1H2*    C   3          H2'         C   3  -2.267   1.017  -2.260
   34   2H2*    C   3          H2''        C   3  -3.804   1.911  -2.071
   35   1H5*    A   4          H5''        A   4  -5.397   2.300  -0.613
   36   2H5*    A   4          H5'         A   4  -6.928   3.027  -1.142
   37    H4*    A   4           H4'        A   4  -5.251   4.741  -0.490
   38    H3*    A   4           H3'        A   4  -6.866   4.736  -2.755
   39    H1*    A   4           H1'        A   4  -2.976   5.569  -3.041
   40    H8     A   4           H8         A   4  -4.488   2.362  -4.623
   41   1H6     A   4          H61         A   4   1.200   1.306  -6.764
   42   2H6     A   4          H62         A   4  -0.454   0.737  -6.750
   43    H2     A   4           H2         A   4   1.350   4.964  -4.193
   44   1H2*    A   4          H2'         A   4  -5.314   4.337  -4.410
   45   2H2*    A   4          H2''        A   4  -4.901   6.062  -4.192
   46   1H5*    G   5          H5''        G   5  -5.442   8.445  -0.652
   47   2H5*    G   5          H5'         G   5  -5.507  10.166  -1.078
   48    H4*    G   5           H4'        G   5  -3.262   9.166  -0.259
   49    H3*    G   5           H3'        G   5  -3.888  11.237  -2.111
   50    H1*    G   5           H1'        G   5  -1.062   8.476  -2.747
   51    H8     G   5           H8         G   5  -4.499   7.964  -4.443
   52    H1     G   5           H1         G   5   0.520   6.542  -8.119
   53   1H2     G   5          H21         G   5   2.415   7.813  -5.468
   54   2H2     G   5          H22         G   5   2.413   7.094  -7.064
   55   1H2*    G   5          H2'         G   5  -2.810  10.516  -3.980
   56   2H2*    G   5          H2''        G   5  -1.281  10.720  -3.078
   57   1H5*    A   6          H5''        A   6  -2.796  13.951   1.091
   58   2H5*    A   6          H5'         A   6  -1.285  14.698   1.646
   59    H4*    A   6           H4'        A   6  -2.514  13.414   3.414
   60    H3*    A   6           H3'        A   6   0.289  13.215   2.693
   61    H1*    A   6           H1'        A   6  -1.936  10.000   3.644
   62    H8     A   6           H8         A   6   0.484  10.800   0.708
   63   1H6     A   6          H61         A   6  -1.230   5.315  -1.538
   64   2H6     A   6          H62         A   6  -0.181   6.696  -1.776
   65    H2     A   6           H2         A   6  -3.661   6.126   2.126
   66   1H2*    A   6          H2'         A   6   0.680  11.001   2.970
   67   2H2*    A   6          H2''        A   6  -0.151  11.023   4.553
   68   1H5*    G   7          H5''        G   7  -1.578  12.136   6.785
   69   2H5*    G   7          H5'         G   7  -0.529  12.696   8.102
   70    H4*    G   7           H4'        G   7  -1.726  10.601   8.662
   71    H3*    G   7           H3'        G   7   1.166  10.985   8.742
   72    H1*    G   7           H1'        G   7  -0.692   7.584   7.738
   73    H8     G   7           H8         G   7   2.538   9.082   6.369
   74    H1     G   7           H1         G   7  -0.282   4.981   2.372
   75   1H2     G   7          H21         G   7  -2.956   5.135   4.634
   76   2H2     G   7          H22         G   7  -2.328   4.462   3.145
   77   1H2*    G   7          H2'         G   7   1.861   8.907   8.175
   78   2H2*    G   7          H2''        G   7   0.746   8.185   9.369
   79   1H5*    A   8          H5''        A   8  -0.419   7.583  11.369
   80   2H5*    A   8          H5'         A   8  -0.267   8.353  12.961
   81    H4*    A   8           H4'        A   8  -0.029   5.865  13.026
   82    H3*    A   8           H3'        A   8   1.636   7.845  14.218
   83    H1*    A   8           H1'        A   8   3.156   4.601  12.418
   84    H8     A   8           H8         A   8   4.200   8.262  11.918
   85   1H6     A   8          H61         A   8   7.380   6.271   7.023
   86   2H6     A   8          H62         A   8   7.040   7.646   8.049
   87    H2     A   8           H2         A   8   4.945   2.851   8.568
   88   1H2*    A   8          H2'         A   8   3.698   7.251  13.549
   89   2H2*    A   8          H2''        A   8   3.481   5.688  14.383
   90   1H5*    G   9          H5''        G   9  -1.309   4.991  14.650
   91   2H5*    G   9          H5'         G   9  -1.250   3.793  15.958
   92    H4*    G   9           H4'        G   9  -3.000   3.309  14.248
   93    H3*    G   9           H3'        G   9  -0.993   1.516  15.275
   94    H1*    G   9           H1'        G   9  -2.177   1.583  11.442
   95    H8     G   9           H8         G   9   1.170   3.186  12.517
   96    H1     G   9           H1         G   9   1.448  -0.217   7.123
   97   1H2     G   9          H21         G   9  -1.810  -1.198   7.967
   98   2H2     G   9          H22         G   9  -0.482  -1.330   6.834
   99   1H2*    G   9          H2'         G   9  -0.290   0.484  13.385
  100   2H2*    G   9          H2''        G   9  -1.980   0.006  13.045
  101   1H5*    C  10          H5''        C  10  -4.935  -0.419  13.467
  102   2H5*    C  10          H5'         C  10  -5.471  -1.542  14.734
  103    H4*    C  10           H4'        C  10  -5.952  -2.444  12.512
  104    H3*    C  10           H3'        C  10  -4.237  -3.750  14.473
  105    H1*    C  10           H1'        C  10  -3.184  -3.728  10.599
  106   1H4     C  10          H41         C  10   2.340  -1.570  13.568
  107   2H4     C  10          H42         C  10   2.698  -1.730  11.863
  108    H5     C  10           H5         C  10   0.192  -2.060  14.520
  109    H6     C  10           H6         C  10  -2.110  -2.775  14.038
  110    H3T    C  10           H3T        C  10  -6.560  -4.064  13.831
  111   1H2*    C  10          H2'         C  10  -2.799  -4.903  13.131
  112   2H2*    C  10          H2''        C  10  -4.096  -5.284  11.963
  113    H13  NCG  11           H13      NCS  11  -5.070  -4.811   6.659
  114    H8   NCG  11           H8       NCS  11  -3.163  -0.323   2.832
  115    H2   NCG  11           H2       NCS  11  -3.855  -0.954   7.656
  116    H6   NCG  11           H6       NCS  11  -3.083  -3.213   2.737
  117   H14A  NCG  11          H14A      NCS  11  -5.306  -4.144   8.776
  118   H14B  NCG  11          H14B      NCS  11  -4.106  -2.849   8.549
  119    H12  NCG  11           H12      NCS  11  -3.339   1.777   7.711
  120    H66  NCG  11           H66      NCS  11  -2.766  -3.395   7.855
  121    H5   NCG  11           H5       NCS  11  -3.326  -5.064   4.644
  122   H8''  NCG  11          H8''      NCS  11  -0.323   2.637   4.628
  123   H6''  NCG  11          H6''      NCS  11   3.590   3.136   3.017
  124   H3''  NCG  11          H3''      NCS  11   2.146   5.793   8.947
  125   H4''  NCG  11          H4''      NCS  11   3.793   5.407   7.151
  126   HNM1  NCG  11          HNM1      NCS  11   5.081   4.776   3.983
  127   HNM2  NCG  11          HNM2      NCS  11   5.357   3.860   5.465
  128   HNM3  NCG  11          HNM3      NCS  11   4.739   5.511   5.548
  129   H7M1  NCG  11          H7M1      NCS  11   0.088   0.520   2.035
  130   H7M2  NCG  11          H7M2      NCS  11  -0.729   1.795   2.946
  131   H7M3  NCG  11          H7M3      NCS  11   0.367   0.679   3.776
  132    H92  NCG  11           H92      NCS  11   0.194   5.121   9.819
  133    H11  NCG  11           H11      NCS  11  -3.396   3.716   5.823
  134    H5'  NCG  11           H5'      NCS  11  -6.305   0.897   4.506
  135    H4'  NCG  11           H4'      NCS  11  -8.619   1.248   3.707
  136   H104  NCG  11          H104      NCS  11  -7.348   0.908   1.262
  137    H1'  NCG  11           H1'      NCS  11  -4.197   2.473   2.081
  138    H10  NCG  11           H10      NCS  11  -2.726   2.302   3.615
  139   H108  NCG  11          H108      NCS  11  -4.825   4.542   2.196
  140    H2'  NCG  11           H2'      NCS  11  -6.399   3.100   1.227
  141   H2M1  NCG  11          H2M1      NCS  11  -5.821   4.589   4.540
  142   H2M2  NCG  11          H2M2      NCS  11  -6.358   6.115   3.778
  143   H2M3  NCG  11          H2M3      NCS  11  -4.621   5.691   3.805
  144   H2NH  NCG  11          H2NH      NCS  11  -6.126   5.248   1.769
  145   HFM1  NCG  11          HFM1      NCS  11  -7.130  -1.120   2.361
  146   HFM2  NCG  11          HFM2      NCS  11  -7.695  -1.107   4.040
  147   HFM3  NCG  11          HFM3      NCS  11  -5.993  -1.434   3.681
  148    H3'  NCG  11           H3'      NCS  11  -7.310   3.259   4.120
  149   H120  NCG  11          H120      NCS  11  -8.989   3.088   1.959
  150    HA   NCG  11           HA       NCS  11  -8.219   1.620   7.653
  151    HB1  NCG  11           HB1      NCS  11  -5.479   1.053   8.844
  152    HB2  NCG  11           HB2      NCS  11  -6.246   0.152   7.540
  153    H9   NCG  11           H9       NCS  11  -6.630   3.123   9.547
  154    H3   NCG  11           H3       NCS  11  -8.232  -0.864   8.310
  155    H1   NCG  11           H1       NCS  11  -7.165  -1.420  10.560
  156    H7   NCG  11           H7       NCS  11  -8.131  -2.584   9.657
  157    H4   NCG  11           H4       NCS  11 -10.909  -1.900  11.978
  158    H14  NCG  11           H14      NCS  11  -6.900   5.922   8.539
  159    H15  NCG  11           H15      NCS  11  -6.287   5.586   6.920
  160    H16  NCG  11           H16      NCS  11  -4.576   4.037   7.906
  161    H17  NCG  11           H17      NCS  11  -5.171   4.431   9.519
  162    H18  NCG  11           H18      NCS  11  -4.693   6.883   9.007
  163    H21  NCG  11           H21      NCS  11  -2.242   7.293   6.347
  164    H19  NCG  11           H19      NCS  11  -2.377   6.605   9.302
  165    H20  NCG  11           H20      NCS  11  -2.492   5.014   8.976
  Start of MODEL    8
    1   1H5*    G   1          H5''        G   1   8.063  -7.041   5.461
    2   2H5*    G   1          H5'         G   1   8.702  -6.355   3.953
    3    H4*    G   1           H4'        G   1   6.291  -6.856   3.779
    4    H3*    G   1           H3'        G   1   7.561  -4.361   3.199
    5    H1*    G   1           H1'        G   1   3.975  -4.769   4.860
    6    H8     G   1           H8         G   1   6.979  -3.194   6.812
    7    H1     G   1           H1         G   1   1.202  -2.044   9.269
    8   1H2     G   1          H21         G   1   0.027  -3.945   6.577
    9   2H2     G   1          H22         G   1  -0.367  -3.013   8.005
   10    H5T    G   1           H5T        G   1   7.815  -4.746   6.105
   11   1H2*    G   1          H2'         G   1   6.284  -2.944   4.435
   12   2H2*    G   1          H2''        G   1   4.929  -3.351   3.338
   13   1H5*    C   2          H5''        C   2   3.304  -5.645   1.560
   14   2H5*    C   2          H5'         C   2   3.181  -5.079  -0.118
   15    H4*    C   2           H4'        C   2   0.993  -5.067   1.008
   16    H3*    C   2           H3'        C   2   2.263  -2.752  -0.219
   17    H1*    C   2           H1'        C   2   0.147  -2.506   3.191
   18   1H4     C   2          H41         C   2   5.545   0.710   5.317
   19   2H4     C   2          H42         C   2   4.328   0.846   6.567
   20    H5     C   2           H5         C   2   5.188  -0.476   3.248
   21    H6     C   2           H6         C   2   3.579  -1.788   1.932
   22   1H2*    C   2          H2'         C   2   1.510  -1.076   1.109
   23   2H2*    C   2          H2''        C   2  -0.144  -1.748   1.089
   24   1H5*    C   3          H5''        C   3  -2.039  -2.311   0.497
   25   2H5*    C   3          H5'         C   3  -2.733  -2.630  -1.104
   26    H4*    C   3           H4'        C   3  -4.141  -1.130   0.318
   27    H3*    C   3           H3'        C   3  -3.486  -0.860  -2.398
   28    H1*    C   3           H1'        C   3  -3.432   2.226   0.099
   29   1H4     C   3          H41         C   3   2.975   3.741  -0.614
   30   2H4     C   3          H42         C   3   2.321   4.808   0.610
   31    H5     C   3           H5         C   3   1.679   1.995  -1.667
   32    H6     C   3           H6         C   3  -0.506   0.884  -1.747
   33   1H2*    C   3          H2'         C   3  -2.266   1.081  -2.385
   34   2H2*    C   3          H2''        C   3  -3.833   1.897  -2.116
   35   1H5*    A   4          H5''        A   4  -5.534   2.230  -0.662
   36   2H5*    A   4          H5'         A   4  -7.079   2.844  -1.287
   37    H4*    A   4           H4'        A   4  -5.512   4.656  -0.548
   38    H3*    A   4           H3'        A   4  -7.105   4.573  -2.827
   39    H1*    A   4           H1'        A   4  -3.312   5.703  -3.024
   40    H8     A   4           H8         A   4  -4.434   2.447  -4.810
   41   1H6     A   4          H61         A   4   1.409   2.107  -6.772
   42   2H6     A   4          H62         A   4  -0.183   1.389  -6.881
   43    H2     A   4           H2         A   4   1.098   5.563  -3.951
   44   1H2*    A   4          H2'         A   4  -5.499   4.261  -4.456
   45   2H2*    A   4          H2''        A   4  -5.232   6.018  -4.256
   46   1H5*    G   5          H5''        G   5  -5.926   8.401  -0.681
   47   2H5*    G   5          H5'         G   5  -5.953  10.106  -1.166
   48    H4*    G   5           H4'        G   5  -3.747   9.014  -0.235
   49    H3*    G   5           H3'        G   5  -4.300  11.217  -1.932
   50    H1*    G   5           H1'        G   5  -1.488   8.495  -2.759
   51    H8     G   5           H8         G   5  -4.918   7.983  -4.456
   52    H1     G   5           H1         G   5   0.102   7.012  -8.273
   53   1H2     G   5          H21         G   5   1.983   8.200  -5.577
   54   2H2     G   5          H22         G   5   1.984   7.584  -7.216
   55   1H2*    G   5          H2'         G   5  -3.265  10.584  -3.863
   56   2H2*    G   5          H2''        G   5  -1.724  10.748  -2.971
   57   1H5*    A   6          H5''        A   6  -2.549  13.812   1.418
   58   2H5*    A   6          H5'         A   6  -0.878  14.326   1.717
   59    H4*    A   6           H4'        A   6  -2.010  13.241   3.680
   60    H3*    A   6           H3'        A   6   0.601  12.598   2.549
   61    H1*    A   6           H1'        A   6  -1.891   9.716   3.823
   62    H8     A   6           H8         A   6   0.349  10.406   0.729
   63   1H6     A   6          H61         A   6  -2.112   5.231  -1.573
   64   2H6     A   6          H62         A   6  -0.914   6.481  -1.837
   65    H2     A   6           H2         A   6  -4.197   6.159   2.258
   66   1H2*    A   6          H2'         A   6   0.750  10.377   3.014
   67   2H2*    A   6          H2''        A   6   0.016  10.607   4.626
   68   1H5*    G   7          H5''        G   7  -1.028  11.909   6.556
   69   2H5*    G   7          H5'         G   7   0.025  12.455   7.876
   70    H4*    G   7           H4'        G   7  -1.404  10.584   8.581
   71    H3*    G   7           H3'        G   7   1.511  10.578   8.656
   72    H1*    G   7           H1'        G   7  -0.678   7.335   7.753
   73    H8     G   7           H8         G   7   2.703   8.584   6.526
   74    H1     G   7           H1         G   7  -0.317   4.892   2.287
   75   1H2     G   7          H21         G   7  -3.031   5.155   4.492
   76   2H2     G   7          H22         G   7  -2.414   4.497   2.991
   77   1H2*    G   7          H2'         G   7   1.940   8.377   8.323
   78   2H2*    G   7          H2''        G   7   0.656   7.912   9.475
   79   1H5*    A   8          H5''        A   8  -0.242   7.618  11.441
   80   2H5*    A   8          H5'         A   8  -0.099   8.441  13.006
   81    H4*    A   8           H4'        A   8   0.044   5.946  13.168
   82    H3*    A   8           H3'        A   8   1.782   7.920  14.303
   83    H1*    A   8           H1'        A   8   3.100   4.474  12.763
   84    H8     A   8           H8         A   8   4.403   8.036  12.034
   85   1H6     A   8          H61         A   8   7.976   5.373   7.773
   86   2H6     A   8          H62         A   8   7.617   6.864   8.615
   87    H2     A   8           H2         A   8   5.205   2.256   9.387
   88   1H2*    A   8          H2'         A   8   3.821   7.130  13.786
   89   2H2*    A   8          H2''        A   8   3.440   5.635  14.684
   90   1H5*    G   9          H5''        G   9  -1.341   5.229  14.565
   91   2H5*    G   9          H5'         G   9  -1.457   4.040  15.877
   92    H4*    G   9           H4'        G   9  -3.004   3.554  13.999
   93    H3*    G   9           H3'        G   9  -1.065   1.741  15.158
   94    H1*    G   9           H1'        G   9  -2.098   1.885  11.305
   95    H8     G   9           H8         G   9   1.308   3.305  12.452
   96    H1     G   9           H1         G   9   1.499   0.009   6.989
   97   1H2     G   9          H21         G   9  -1.816  -0.826   7.774
   98   2H2     G   9          H22         G   9  -0.484  -0.998   6.650
   99   1H2*    G   9          H2'         G   9  -0.283   0.719  13.297
  100   2H2*    G   9          H2''        G   9  -1.960   0.261  12.871
  101   1H5*    C  10          H5''        C  10  -5.141  -0.141  13.366
  102   2H5*    C  10          H5'         C  10  -5.607  -1.345  14.584
  103    H4*    C  10           H4'        C  10  -6.120  -2.131  12.312
  104    H3*    C  10           H3'        C  10  -4.369  -3.499  14.199
  105    H1*    C  10           H1'        C  10  -3.320  -3.277  10.334
  106   1H4     C  10          H41         C  10   2.161  -1.159  13.404
  107   2H4     C  10          H42         C  10   2.467  -1.076  11.684
  108    H5     C  10           H5         C  10   0.070  -1.884  14.340
  109    H6     C  10           H6         C  10  -2.214  -2.638  13.827
  110    H3T    C  10           H3T        C  10  -6.714  -3.794  13.436
  111   1H2*    C  10          H2'         C  10  -2.922  -4.572  12.799
  112   2H2*    C  10          H2''        C  10  -4.217  -4.909  11.616
  113    H13  NCG  11           H13      NCS  11  -4.795  -4.789   6.614
  114    H8   NCG  11           H8       NCS  11  -3.057  -0.251   2.741
  115    H2   NCG  11           H2       NCS  11  -3.731  -0.888   7.566
  116    H6   NCG  11           H6       NCS  11  -2.870  -3.136   2.657
  117   H14A  NCG  11          H14A      NCS  11  -5.083  -4.068   8.709
  118   H14B  NCG  11          H14B      NCS  11  -3.909  -2.754   8.454
  119    H12  NCG  11           H12      NCS  11  -3.317   1.858   7.613
  120    H66  NCG  11           H66      NCS  11  -2.468  -3.134   7.730
  121    H5   NCG  11           H5       NCS  11  -3.050  -4.989   4.571
  122   H8''  NCG  11          H8''      NCS  11  -0.254   2.739   4.603
  123   H6''  NCG  11          H6''      NCS  11   3.829   2.785   3.386
  124   H3''  NCG  11          H3''      NCS  11   2.154   5.416   9.267
  125   H4''  NCG  11          H4''      NCS  11   3.910   4.861   7.630
  126   HNM1  NCG  11          HNM1      NCS  11   5.417   4.179   4.574
  127   HNM2  NCG  11          HNM2      NCS  11   5.426   3.178   6.026
  128   HNM3  NCG  11          HNM3      NCS  11   5.014   4.889   6.134
  129   H7M1  NCG  11          H7M1      NCS  11   0.205   0.600   2.008
  130   H7M2  NCG  11          H7M2      NCS  11  -0.595   1.928   2.859
  131   H7M3  NCG  11          H7M3      NCS  11   0.327   0.721   3.768
  132    H92  NCG  11           H92      NCS  11   0.076   5.126   9.888
  133    H11  NCG  11           H11      NCS  11  -3.440   3.788   5.718
  134    H5'  NCG  11           H5'      NCS  11  -6.105   0.682   4.363
  135    H4'  NCG  11           H4'      NCS  11  -8.462   0.861   3.674
  136   H104  NCG  11          H104      NCS  11  -7.278   0.738   1.179
  137    H1'  NCG  11           H1'      NCS  11  -4.258   2.643   1.983
  138    H10  NCG  11           H10      NCS  11  -2.733   2.398   3.513
  139   H108  NCG  11          H108      NCS  11  -5.064   4.574   2.362
  140    H2'  NCG  11           H2'      NCS  11  -6.558   3.032   1.220
  141   H2M1  NCG  11          H2M1      NCS  11  -5.669   4.662   4.520
  142   H2M2  NCG  11          H2M2      NCS  11  -7.207   5.407   3.991
  143   H2M3  NCG  11          H2M3      NCS  11  -5.655   6.232   3.663
  144   H2NH  NCG  11          H2NH      NCS  11  -6.339   5.169   1.737
  145   HFM1  NCG  11          HFM1      NCS  11  -5.582  -1.533   3.313
  146   HFM2  NCG  11          HFM2      NCS  11  -6.834  -1.237   2.098
  147   HFM3  NCG  11          HFM3      NCS  11  -7.279  -1.418   3.802
  148    H3'  NCG  11           H3'      NCS  11  -7.329   2.969   4.161
  149   H120  NCG  11          H120      NCS  11  -9.057   2.797   2.014
  150    HA   NCG  11           HA       NCS  11  -8.175   1.601   7.583
  151    HB1  NCG  11           HB1      NCS  11  -5.418   1.075   8.760
  152    HB2  NCG  11           HB2      NCS  11  -6.172   0.142   7.471
  153    H9   NCG  11           H9       NCS  11  -6.616   3.055   9.537
  154    H3   NCG  11           H3       NCS  11  -8.108  -0.919   8.154
  155    H1   NCG  11           H1       NCS  11  -7.058  -1.474  10.434
  156    H7   NCG  11           H7       NCS  11  -7.901  -2.665   9.444
  157    H4   NCG  11           H4       NCS  11 -10.832  -2.122  11.668
  158    H14  NCG  11           H14      NCS  11  -6.986   5.852   8.735
  159    H15  NCG  11           H15      NCS  11  -6.454   5.723   7.058
  160    H16  NCG  11           H16      NCS  11  -4.628   4.123   7.851
  161    H17  NCG  11           H17      NCS  11  -5.098   4.506   9.507
  162    H18  NCG  11           H18      NCS  11  -4.754   6.986   8.894
  163    H21  NCG  11           H21      NCS  11  -2.306   7.240   6.201
  164    H19  NCG  11           H19      NCS  11  -2.418   6.770   9.117
  165    H20  NCG  11           H20      NCS  11  -2.521   5.160   8.898
  Start of MODEL    9
    1   1H5*    G   1          H5''        G   1   6.746  -8.219   4.831
    2   2H5*    G   1          H5'         G   1   7.703  -7.600   3.470
    3    H4*    G   1           H4'        G   1   5.299  -7.237   3.112
    4    H3*    G   1           H3'        G   1   7.330  -5.187   3.089
    5    H1*    G   1           H1'        G   1   3.588  -4.760   4.381
    6    H8     G   1           H8         G   1   6.790  -3.950   6.454
    7    H1     G   1           H1         G   1   1.264  -2.606   9.353
    8   1H2     G   1          H21         G   1  -0.202  -3.959   6.474
    9   2H2     G   1          H22         G   1  -0.445  -3.226   8.045
   10    H5T    G   1           H5T        G   1   7.830  -5.614   4.868
   11   1H2*    G   1          H2'         G   1   6.294  -3.567   4.282
   12   2H2*    G   1          H2''        G   1   4.992  -3.556   3.058
   13   1H5*    C   2          H5''        C   2   3.315  -5.650   1.161
   14   2H5*    C   2          H5'         C   2   3.137  -4.942  -0.456
   15    H4*    C   2           H4'        C   2   0.984  -5.045   0.724
   16    H3*    C   2           H3'        C   2   2.215  -2.594  -0.283
   17    H1*    C   2           H1'        C   2   0.190  -2.709   3.184
   18   1H4     C   2          H41         C   2   5.666   0.447   5.207
   19   2H4     C   2          H42         C   2   4.471   0.604   6.476
   20    H5     C   2           H5         C   2   5.251  -0.722   3.140
   21    H6     C   2           H6         C   2   3.593  -1.996   1.847
   22   1H2*    C   2          H2'         C   2   1.364  -1.066   1.166
   23   2H2*    C   2          H2''        C   2  -0.242  -1.851   1.139
   24   1H5*    C   3          H5''        C   3  -2.110  -2.270   0.478
   25   2H5*    C   3          H5'         C   3  -2.747  -2.534  -1.158
   26    H4*    C   3           H4'        C   3  -4.247  -1.145   0.287
   27    H3*    C   3           H3'        C   3  -3.566  -0.756  -2.386
   28    H1*    C   3           H1'        C   3  -3.463   2.287   0.184
   29   1H4     C   3          H41         C   3   3.059   3.401  -0.212
   30   2H4     C   3          H42         C   3   2.394   4.552   0.928
   31    H5     C   3           H5         C   3   1.718   1.690  -1.285
   32    H6     C   3           H6         C   3  -0.530   0.732  -1.480
   33   1H2*    C   3          H2'         C   3  -2.255   1.129  -2.267
   34   2H2*    C   3          H2''        C   3  -3.802   1.998  -2.047
   35   1H5*    A   4          H5''        A   4  -5.614   2.334  -0.614
   36   2H5*    A   4          H5'         A   4  -7.086   3.072  -1.281
   37    H4*    A   4           H4'        A   4  -5.470   4.777  -0.468
   38    H3*    A   4           H3'        A   4  -6.860   4.772  -2.885
   39    H1*    A   4           H1'        A   4  -2.980   5.638  -2.754
   40    H8     A   4           H8         A   4  -4.269   2.511  -4.645
   41   1H6     A   4          H61         A   4   1.634   1.592  -6.175
   42   2H6     A   4          H62         A   4  -0.010   1.037  -6.401
   43    H2     A   4           H2         A   4   1.466   5.053  -3.344
   44   1H2*    A   4          H2'         A   4  -5.151   4.397  -4.376
   45   2H2*    A   4          H2''        A   4  -4.774   6.123  -4.106
   46   1H5*    G   5          H5''        G   5  -5.658   8.517  -0.651
   47   2H5*    G   5          H5'         G   5  -5.673  10.227  -1.122
   48    H4*    G   5           H4'        G   5  -3.532   9.266  -0.034
   49    H3*    G   5           H3'        G   5  -3.949  11.261  -2.025
   50    H1*    G   5           H1'        G   5  -1.074   8.485  -2.237
   51    H8     G   5           H8         G   5  -4.299   8.020  -4.342
   52    H1     G   5           H1         G   5   1.083   6.167  -7.229
   53   1H2     G   5          H21         G   5   2.673   7.466  -4.400
   54   2H2     G   5          H22         G   5   2.843   6.677  -5.954
   55   1H2*    G   5          H2'         G   5  -2.677  10.467  -3.735
   56   2H2*    G   5          H2''        G   5  -1.253  10.714  -2.682
   57   1H5*    A   6          H5''        A   6  -3.133  13.965   1.130
   58   2H5*    A   6          H5'         A   6  -1.732  14.882   1.716
   59    H4*    A   6           H4'        A   6  -2.915  13.680   3.531
   60    H3*    A   6           H3'        A   6  -0.088  13.493   2.903
   61    H1*    A   6           H1'        A   6  -2.246  10.276   3.996
   62    H8     A   6           H8         A   6   0.335  10.944   1.183
   63   1H6     A   6          H61         A   6  -1.363   5.444  -1.032
   64   2H6     A   6          H62         A   6  -0.255   6.785  -1.223
   65    H2     A   6           H2         A   6  -4.044   6.430   2.406
   66   1H2*    A   6          H2'         A   6   0.354  11.321   3.372
   67   2H2*    A   6          H2''        A   6  -0.552  11.432   4.907
   68   1H5*    G   7          H5''        G   7  -1.915  12.151   6.666
   69   2H5*    G   7          H5'         G   7  -1.101  12.774   8.114
   70    H4*    G   7           H4'        G   7  -1.917  10.512   8.512
   71    H3*    G   7           H3'        G   7   0.975  11.146   8.512
   72    H1*    G   7           H1'        G   7  -0.863   7.740   7.669
   73    H8     G   7           H8         G   7   2.489   8.979   6.367
   74    H1     G   7           H1         G   7  -0.350   4.825   2.444
   75   1H2     G   7          H21         G   7  -3.121   5.225   4.545
   76   2H2     G   7          H22         G   7  -2.447   4.454   3.124
   77   1H2*    G   7          H2'         G   7   1.722   9.051   8.101
   78   2H2*    G   7          H2''        G   7   0.584   8.362   9.293
   79   1H5*    A   8          H5''        A   8  -0.333   7.847  11.181
   80   2H5*    A   8          H5'         A   8  -0.204   8.590  12.787
   81    H4*    A   8           H4'        A   8   0.166   6.132  12.829
   82    H3*    A   8           H3'        A   8   1.888   8.183  13.900
   83    H1*    A   8           H1'        A   8   3.147   4.796  12.229
   84    H8     A   8           H8         A   8   4.493   8.347  11.546
   85   1H6     A   8          H61         A   8   7.736   5.772   6.974
   86   2H6     A   8          H62         A   8   7.450   7.243   7.879
   87    H2     A   8           H2         A   8   5.023   2.646   8.670
   88   1H2*    A   8          H2'         A   8   3.914   7.438  13.281
   89   2H2*    A   8          H2''        A   8   3.603   5.914  14.155
   90   1H5*    G   9          H5''        G   9  -1.166   5.482  14.152
   91   2H5*    G   9          H5'         G   9  -1.235   4.371  15.535
   92    H4*    G   9           H4'        G   9  -2.855   3.789  13.742
   93    H3*    G   9           H3'        G   9  -0.910   2.040  14.968
   94    H1*    G   9           H1'        G   9  -1.993   1.933  11.121
   95    H8     G   9           H8         G   9   1.387   3.508  12.105
   96    H1     G   9           H1         G   9   1.616  -0.248   6.948
   97   1H2     G   9          H21         G   9  -1.674  -1.084   7.822
   98   2H2     G   9          H22         G   9  -0.343  -1.318   6.709
   99   1H2*    G   9          H2'         G   9  -0.138   0.918  13.159
  100   2H2*    G   9          H2''        G   9  -1.814   0.415  12.791
  101   1H5*    C  10          H5''        C  10  -4.932  -0.088  13.296
  102   2H5*    C  10          H5'         C  10  -5.392  -1.110  14.674
  103    H4*    C  10           H4'        C  10  -5.862  -2.205  12.514
  104    H3*    C  10           H3'        C  10  -4.193  -3.289  14.636
  105    H1*    C  10           H1'        C  10  -3.073  -3.653  10.791
  106   1H4     C  10          H41         C  10   2.488  -1.164  13.406
  107   2H4     C  10          H42         C  10   2.795  -1.495  11.716
  108    H5     C  10           H5         C  10   0.349  -1.551  14.453
  109    H6     C  10           H6         C  10  -1.954  -2.335  14.097
  110    H3T    C  10           H3T        C  10  -6.274  -4.123  12.929
  111   1H2*    C  10          H2'         C  10  -2.663  -4.501  13.461
  112   2H2*    C  10          H2''        C  10  -3.914  -5.077  12.325
  113    H13  NCG  11           H13      NCS  11  -4.869  -4.925   6.447
  114    H8   NCG  11           H8       NCS  11  -3.328  -0.299   2.603
  115    H2   NCG  11           H2       NCS  11  -3.785  -1.032   7.438
  116    H6   NCG  11           H6       NCS  11  -3.129  -3.180   2.453
  117   H14A  NCG  11          H14A      NCS  11  -5.049  -4.272   8.574
  118   H14B  NCG  11          H14B      NCS  11  -3.897  -2.942   8.297
  119    H12  NCG  11           H12      NCS  11  -3.384   1.715   7.518
  120    H66  NCG  11           H66      NCS  11  -2.616  -4.406   7.210
  121    H5   NCG  11           H5       NCS  11  -3.215  -5.071   4.337
  122   H8''  NCG  11          H8''      NCS  11  -0.323   2.210   4.690
  123   H6''  NCG  11          H6''      NCS  11   3.690   2.479   3.284
  124   H3''  NCG  11          H3''      NCS  11   1.939   5.800   8.777
  125   H4''  NCG  11          H4''      NCS  11   3.680   5.206   7.137
  126   HNM1  NCG  11          HNM1      NCS  11   5.153   4.199   4.156
  127   HNM2  NCG  11          HNM2      NCS  11   5.314   3.455   5.747
  128   HNM3  NCG  11          HNM3      NCS  11   4.724   5.112   5.599
  129   H7M1  NCG  11          H7M1      NCS  11  -0.122   0.308   2.017
  130   H7M2  NCG  11          H7M2      NCS  11  -0.634   1.796   2.823
  131   H7M3  NCG  11          H7M3      NCS  11  -0.115   0.401   3.783
  132    H92  NCG  11           H92      NCS  11  -0.068   5.316   9.571
  133    H11  NCG  11           H11      NCS  11  -3.608   3.683   5.670
  134    H5'  NCG  11           H5'      NCS  11  -6.341   0.631   4.174
  135    H4'  NCG  11           H4'      NCS  11  -8.694   0.868   3.478
  136   H104  NCG  11          H104      NCS  11  -7.487   0.874   0.996
  137    H1'  NCG  11           H1'      NCS  11  -4.456   2.725   1.968
  138    H10  NCG  11           H10      NCS  11  -2.971   2.332   3.415
  139   H108  NCG  11          H108      NCS  11  -5.285   4.679   2.303
  140    H2'  NCG  11           H2'      NCS  11  -6.740   3.187   1.204
  141   H2M1  NCG  11          H2M1      NCS  11  -5.543   4.563   4.525
  142   H2M2  NCG  11          H2M2      NCS  11  -7.166   5.284   4.314
  143   H2M3  NCG  11          H2M3      NCS  11  -5.711   6.199   3.822
  144   H2NH  NCG  11          H2NH      NCS  11  -6.654   5.286   1.938
  145   HFM1  NCG  11          HFM1      NCS  11  -7.532  -1.420   3.468
  146   HFM2  NCG  11          HFM2      NCS  11  -5.828  -1.520   2.998
  147   HFM3  NCG  11          HFM3      NCS  11  -7.059  -1.137   1.785
  148    H3'  NCG  11           H3'      NCS  11  -7.557   2.927   4.119
  149   H120  NCG  11          H120      NCS  11  -9.267   2.898   1.959
  150    HA   NCG  11           HA       NCS  11  -8.229   1.382   7.722
  151    HB1  NCG  11           HB1      NCS  11  -5.406   0.904   8.752
  152    HB2  NCG  11           HB2      NCS  11  -6.209  -0.027   7.492
  153    H9   NCG  11           H9       NCS  11  -6.611   2.866   9.606
  154    H3   NCG  11           H3       NCS  11  -8.059  -1.144   8.296
  155    H1   NCG  11           H1       NCS  11  -6.900  -1.668  10.519
  156    H7   NCG  11           H7       NCS  11  -7.783  -2.880   9.594
  157    H4   NCG  11           H4       NCS  11 -10.575  -2.498  11.958
  158    H14  NCG  11           H14      NCS  11  -6.962   5.642   8.825
  159    H15  NCG  11           H15      NCS  11  -6.551   5.511   7.113
  160    H16  NCG  11           H16      NCS  11  -4.680   3.947   7.700
  161    H17  NCG  11           H17      NCS  11  -5.076   4.133   9.408
  162    H18  NCG  11           H18      NCS  11  -4.780   6.683   9.035
  163    H21  NCG  11           H21      NCS  11  -2.400   7.238   6.324
  164    H19  NCG  11           H19      NCS  11  -2.420   6.435   9.175
  165    H20  NCG  11           H20      NCS  11  -2.564   4.844   8.864