*HEADER    RNA                                     15-AUG-05   2AP5              
*TITLE     SOLUTION STRUCTURE OF THE C27A SCYLV P1-P2 FRAMESHIFTING              
*TITLE    2 PSEUDOKNOT, AVERAGE STRUCTURE                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: C27A SUGARCANE YELLOW LEAF VIRUS RNA PSEUDOKNOT;           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: MUTANT OF NATURALLY OCCURING RNA FRAGMENT             
*SOURCE   4 THAT FORMS AN RNA PSEUDOKNOT IN SUGARCANE YELLOW LEAF VIRUS          
*KEYWDS    RNA PSEUDOKNOT; FRAMESHIFTING                                         
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    P.V.CORNISH, D.P.GIEDROC                                              
*REVDAT   1   05-SEP-06 2AP5    0                                                

assign (residue 3 and name H1')(residue 3 and name H2')   2.5  0.5  0.5
assign (residue 3 and name H1')(residue 3 and name H3')   3.3  0.7  0.7
assign (residue 3 and name H1')(residue 3 and name H4')   4.3  0.7  0.7
assign (residue 3 and name H1')(residue 3 and name H8)    3.3  0.5  1.0
assign (residue 4 and name H1')(residue 4 and name H2')   2.5  0.5  0.5
assign (residue 4 and name H1')(residue 4 and name H4')   4.3  1.0  0.5
assign (residue 5 and name H1')(residue 5 and name H2')   2.5  0.5  0.5
assign (residue 5 and name H2')(residue 16 and name H2)   4.5  1.0  1.0
assign (residue 5 and name H2')(residue 6 and name H8)    3.2  1.0  1.0
assign (residue 6 and name H1')(residue 6 and name H2')   2.5  0.5  1.0
assign (residue 6 and name H1')(residue 16 and name H2)   5.0  1.5  1.5
assign (residue 6 and name H4')(residue 22 and name H8)   4.3  1.0  1.0
assign (residue 6 and name H4')(residue 21 and name H8)   4.0  1.5  1.0
assign (residue 7 and name H1')(residue 7 and name H2')   2.5  0.5  0.5
assign (residue 7 and name H1')(residue 7 and name H4')   3.3  1.0  1.0
assign (residue 7 and name H1')(residue 7 and name H8)    4.3  1.0  1.0
assign (residue 7 and name H2')(residue 8 and name H6)    2.5  0.7  1.0
assign (residue 8 and name H1')(residue 8 and name H2')   2.5  0.5  0.5
assign (residue 8 and name H1')(residue 8 and name H3')   4.3  0.8  0.8
assign (residue 8 and name H1')(residue 8 and name H4')   3.3  0.7  1.0
assign (residue 8 and name H1')(residue 8 and name H6)    4.5  1.5  1.5
assign (residue 8 and name H2')(residue 8 and name H6)    4.5  1.5  1.5
assign (residue 8 and name H2')(residue 8 and name H3')   2.5  0.5  0.8
assign (residue 8 and name H3')(residue 8 and name H6)    3.3  1.0  1.0
assign (residue 9 and name H1')(residue 9 and name H2')   2.5  0.5  0.5
assign (residue 9 and name H1')(residue 9 and name H8)    3.3  1.5  1.5
assign (residue 9 and name H2')(residue 9 and name H8)    3.7  1.5  1.5
assign (residue 9 and name H2')(residue 10 and name H6)   3.3  1.0  1.0
assign (residue 10 and name H1')(residue 10 and name H2') 2.5  0.5  0.5
assign (residue 10 and name H1')(residue 10 and name H3') 4.3  0.7  0.7
assign (residue 10 and name H1')(residue 10 and name H4') 3.3  0.7  0.7
assign (residue 10 and name H2')(residue 11 and name H6)  2.5  0.7  0.7
assign (residue 11 and name H1')(residue 11 and name H2') 2.7  0.5  0.5
assign (residue 11 and name H1')(residue 11 and name H4') 3.3  0.7  0.7
assign (residue 11 and name H1')(residue 11 and name H6)  4.3  1.0  1.0
assign (residue 11 and name H2')(residue 12 and name H8)  2.7  0.8  0.8
assign (residue 11 and name H3')(residue 12 and name H8)  3.7  1.0  1.0
assign (residue 12 and name H1')(residue 12 and name H2') 2.5  0.5  0.5
assign (residue 12 and name H1')(residue 12 and name H8)  4.3  1.0  1.0
assign (residue 12 and name H3')(residue 12 and name H8)  3.7  1.0  1.5
assign (residue 13 and name H1')(residue 13 and name H2') 2.5  0.5  0.5
assign (residue 13 and name H1')(residue 13 and name H3') 4.3  0.7  0.7
assign (residue 13 and name H1')(residue 13 and name H8)  3.3  1.0  1.0
assign (residue 13 and name H2')(residue 13 and name H8)  2.8  0.5  0.8
assign (residue 13 and name H3')(residue 13 and name H8)  4.3  0.7  0.7
assign (residue 14 and name H1')(residue 14 and name H2') 2.5  0.5  0.5
assign (residue 14 and name H1')(residue 27 and name H2)  4.0  0.7  0.7
assign (residue 14 and name H1')(residue 14 and name H6)  4.3  1.0  1.0
assign (residue 14 and name H1')(residue 15 and name H5)  4.5  1.0  1.0
assign (residue 14 and name H1')(residue 15 and name H6)  5.0  1.0  1.0
assign (residue 14 and name H1')(residue 26 and name H2)  4.5  1.0  1.0
assign (residue 14 and name H2')(residue 14 and name H6)  4.0  1.0  1.0
assign (residue 14 and name H2')(residue 15 and name H5)  3.3  0.8  0.8
assign (residue 14 and name H2')(residue 15 and name H6)  2.5  0.5  0.5
assign (residue 14 and name H6 )(residue 15 and name H6)  5.0  1.5  1.5
assign (residue 15 and name H1')(residue 15 and name H2')  2.5  0.5  0.5
assign (residue 15 and name H1')(residue 15 and name H4')  3.3  0.7  0.7
assign (residue 15 and name H1')(residue 26 and name H2)   2.8  1.0  1.0
assign (residue 15 and name H2')(residue 16 and name H8)   2.5  0.5  0.5
assign (residue 15 and name H2')(residue 26 and name H2)   4.3  1.0  1.0
assign (residue 15 and name H3')(residue 16 and name H8)   3.3  0.7  0.7
assign (residue 15 and name H4')(residue 26 and name H2)   4.3  1.0  1.0
assign (residue 16 and name H1')(residue 16 and name H2') 2.5  0.5  0.5
assign (residue 16 and name H1')(residue 16 and name H4') 3.3  0.7  0.7
assign (residue 16 and name H1')(residue 16 and name H2)  4.5  0.7  0.7
assign (residue 16 and name H1')(residue 16 and name H8)  3.7  1.0  1.0
assign (residue 16 and name H1')(residue 17 and name H6)  4.5  1.0  1.0
assign (residue 16 and name H1')(residue 23 and name H2)  3.3  1.0  1.0
assign (residue 16 and name H2')(residue 17 and name H5)  4.3  0.7  0.7
assign (residue 16 and name H2')(residue 17 and name H6)  2.5  0.8  1.0
assign (residue 16 and name H2')(residue 23 and name H2)  4.5  1.0  1.0
assign (residue 16 and name H3')(residue 17 and name H6)  3.5  1.0  1.0
assign (residue 16 and name H4')(residue 23 and name H2)  3.0  1.0  1.0
assign (residue 17 and name H1')(residue 17 and name H2') 2.5  0.5  0.5
assign (residue 17 and name H1')(residue 17 and name H3') 4.3  0.7  0.7
assign (residue 17 and name H1')(residue 17 and name H4') 3.3  0.7  0.7
assign (residue 17 and name H1')(residue 16 and name H2)  3.5  1.0  1.0
assign (residue 17 and name H1')(residue 18 and name H6)  4.5  1.5  1.5
assign (residue 17 and name H1')(residue 21 and name H2)  4.3  0.7  0.7
assign (residue 17 and name H1')(residue 22 and name H2)  5.0  1.0  1.0
assign (residue 17 and name H2')(residue 18 and name H6)  2.5  0.5  0.5
assign (residue 17 and name H2')(residue 20 and name H2)  4.0  1.0  1.0
assign (residue 17 and name H4')(residue 21 and name H2)  4.0  0.8  0.8
assign (residue 17 and name H4')(residue 22 and name H2)  3.0  1.0  1.0
assign (residue 18 and name H1')(residue 18 and name H2') 2.5  0.5  0.5
assign (residue 18 and name H1')(residue 18 and name H3') 4.3  0.7  0.7
assign (residue 18 and name H1')(residue 18 and name H4') 3.3  0.7  0.7
assign (residue 18 and name H1')(residue 18 and name H5') 5.0  1.0  1.0
assign (residue 18 and name H1')(residue 18 and name H5'') 5.0 1.0  1.0
assign (residue 18 and name H1')(residue 18 and name H6)  4.3  0.7  0.7
assign (residue 18 and name H1')(residue 19 and name H5)  3.3  0.7  0.7
assign (residue 18 and name H1')(residue 19 and name H6)  3.3  0.7  0.7
assign (residue 18 and name H1')(residue 20 and name H2)  3.3  1.0  1.0
assign (residue 18 and name H2')(residue 18 and name H6)  2.6  0.5  0.5
assign (residue 18 and name H3')(residue 20 and name H2)  5.0  1.0  1.0
assign (residue 18 and name H4')(residue 20 and name H2)  2.5  0.5  1.0
assign (residue 18 and name H4')(residue 19 and name H5') 3.5  1.0  1.0
assign (residue 18 and name H4')(residue 19 and name H5'') 3.5 1.0  1.0
assign (residue 18 and name H5')(residue 20 and name H2)  5.0  1.0  1.0
assign (residue 18 and name H5'')(residue 20 and name H2) 5.0  1.0  1.0
assign (residue 19 and name H1')(residue 19 and name H2') 2.5  0.5  0.5
assign (residue 19 and name H1')(residue 19 and name H3') 4.3  0.7  0.7
assign (residue 19 and name H1')(residue 19 and name H4') 3.3  0.7  0.7
assign (residue 19 and name H1')(residue 19 and name H5') 5.0  1.0  1.5
assign (residue 19 and name H1')(residue 19 and name H5'') 5.0 1.0  1.5
assign (residue 19 and name H1')(residue 19 and name H6)  3.3  0.7  0.7
assign (residue 19 and name H2')(residue 19 and name H3') 2.5  0.5  0.5
assign (residue 19 and name H2')(residue 19 and name H5)  4.3  0.7  0.7
assign (residue 19 and name H2')(residue 19 and name H6)  2.5  0.5  0.5
assign (residue 19 and name H3')(residue 19 and name H4') 2.5  0.5  0.5
assign (residue 19 and name H3')(residue 19 and name H5') 3.3  0.7  0.7
assign (residue 19 and name H3')(residue 19 and name H5'') 3.3 0.7  0.7
assign (residue 19 and name H3')(residue 19 and name H6)  4.3  1.0  1.0
assign (residue 19 and name H4')(residue 19 and name H5') 3.3  0.7  0.7
assign (residue 19 and name H4')(residue 19 and name H5'') 3.3 0.7  0.7
assign (residue 19 and name H5')(residue 19 and name H6)  5.0  1.0  1.0
assign (residue 19 and name H5')(residue 20 and name H2)  5.0  1.5  1.5
assign (residue 19 and name H5'')(residue 19 and name H6) 5.0  1.0  1.0
assign (residue 19 and name H5'')(residue 20 and name H2) 5.0  1.5  1.5
assign (residue 19 and name H6 )(residue 20 and name H2)  5.0  1.5  1.5
assign (residue 20 and name H1')(residue 19 and name H4') 5.0  1.0  1.0
assign (residue 20 and name H1')(residue 19 and name H5') 5.0  1.0  1.0
assign (residue 20 and name H1')(residue 19 and name H5'') 5.0 1.0  1.0
assign (residue 20 and name H1')(residue 20 and name H2') 2.5  0.5  0.5
assign (residue 20 and name H1')(residue 20 and name H4') 3.3  0.7  0.7
assign (residue 20 and name H1')(residue 20 and name H5') 5.0  1.0  1.0
assign (residue 20 and name H1')(residue 20 and name H5'') 5.0 1.0  1.0
assign (residue 20 and name H1')(residue 20 and name H2)  4.5  1.0  1.0
assign (residue 20 and name H1')(residue 20 and name H8)  4.3  0.7  0.7
assign (residue 20 and name H1')(residue 21 and name H2)  5.0  1.5  1.5
assign (residue 20 and name H1')(residue 21 and name H8)  5.0  1.0  1.0
assign (residue 20 and name H2')(residue 20 and name H8)  2.5  0.5  0.7
assign (residue 20 and name H3')(residue 20 and name H8)  3.3  0.7  0.7
assign (residue 20 and name H4')(residue 20 and name H5') 2.7  0.7  0.7
assign (residue 20 and name H4')(residue 20 and name H5'') 2.7 0.7  0.7
assign (residue 20 and name H4')(residue 20 and name H8)  5.0  1.0  1.0
assign (residue 20 and name H5')(residue 20 and name H8)  5.0  1.0  1.5
assign (residue 20 and name H5'')(residue 20 and name H8) 5.0  1.0  1.5
assign (residue 20 and name H2 )(residue 21 and name H2)  4.5  1.0  1.0
assign (residue 21 and name H1')(residue 21 and name H2') 3.3  1.0  1.0
assign (residue 21 and name H1')(residue 21 and name H4') 3.3  1.0  1.0
assign (residue 21 and name H1')(residue 21 and name H5') 5.0  1.0  1.5
assign (residue 21 and name H1')(residue 21 and name H5'') 5.0 1.0  1.5
assign (residue 21 and name H1')(residue 21 and name H8)  4.3  0.7  0.7
assign (residue 21 and name H1')(residue 22 and name H1') 5.0  1.0  1.0
assign (residue 21 and name H1')(residue 22 and name H8)  2.5  0.7  0.7
assign (residue 21 and name H4')(residue 22 and name H8)  5.0  1.0  1.0
assign (residue 21 and name H2 )(residue 22 and name H1') 4.3  1.0  1.0
assign (residue 21 and name H2 )(residue 22 and name H2)  5.0  1.0  1.0
assign (residue 21 and name H2 )(residue 22 and name H8)  5.0  1.0  1.0
assign (residue 22 and name H1')(residue 22 and name H2') 2.5  0.5  0.5
assign (residue 22 and name H1')(residue 22 and name H4') 3.3  0.7  0.7
assign (residue 22 and name H1')(residue 22 and name H8)  4.3  1.0  1.0
assign (residue 22 and name H1')(residue 23 and name H8)  5.0  1.0  1.0
assign (residue 22 and name H2')(residue 23 and name H8)  2.5  0.5  0.5
assign (residue 22 and name H5')(residue 22 and name H8)  4.3  0.7  0.7
assign (residue 22 and name H5'')(residue 22 and name H8) 4.3  0.7  0.7
assign (residue 22 and name H2 )(residue 23 and name H1') 5.0  1.0  1.0
assign (residue 22 and name H2 )(residue 23 and name H2)  5.0  1.5  1.5
assign (residue 22 and name H8)(residue 23 and name H8)   4.5  1.0  0.7
assign (residue 23 and name H1')(residue 23 and name H2') 2.5  0.5  0.7
assign (residue 23 and name H1')(residue 23 and name H3') 4.3  0.7  0.7
assign (residue 23 and name H1')(residue 23 and name H4') 3.3  0.7  0.7
assign (residue 23 and name H1')(residue 23 and name H8)  5.0  1.0  1.0
assign (residue 23 and name H1')(residue 24 and name H8)  5.0  1.0  1.0
assign (residue 23 and name H2')(residue 23 and name H3') 2.5  0.5  0.5
assign (residue 23 and name H2')(residue 23 and name H8)  4.3  1.0  1.0
assign (residue 23 and name H2')(residue 24 and name H8)  3.3  0.7  0.7
assign (residue 23 and name H3')(residue 23 and name H8)  3.3  0.7  0.7
assign (residue 23 and name H8)(residue 24 and name H8)   5.0  1.5  1.5
assign (residue 24 and name H1')(residue 24 and name H2') 3.3  0.7  0.7
assign (residue 24 and name H1')(residue 24 and name H4') 3.3  1.0  0.7
assign (residue 24 and name H1')(residue 24 and name H8)  4.3  0.7  0.7
assign (residue 24 and name H1')(residue 26 and name H1') 3.5  0.7  0.7
assign (residue 24 and name H2)(residue  26 and name H1') 3.7  1.0  1.0
assign (residue 24 and name H1')(residue 26 and name H8)  4.0  1.0  1.0
assign (residue 24 and name H2')(residue 24 and name H8)  2.5  0.5  0.5
assign (residue 24 and name H2 )(residue 26 and name H2)   4.5  1.0  1.0
assign (residue 25 and name H1')(residue 25 and name H2')  2.5  0.5  0.5
assign (residue 25 and name H1')(residue 25 and name H3')  3.3  0.7  0.7
assign (residue 25 and name H1')(residue 25 and name H4')  3.3  0.7  0.7
assign (residue 25 and name H1')(residue 25 and name H5)  4.3  1.5  1.5
assign (residue 25 and name H1')(residue 25 and name H6)  3.3  1.0  1.0
assign (residue 25 and name H4')(residue 25 and name H6)  5.0  1.0  1.0
assign (residue 26 and name H1')(residue 26 and name H2')  2.5  0.5  0.5
assign (residue 26 and name H2 )(residue 27 and name H2)   4.5  1.0  1.0
assign (residue 26 and name H1')(residue 26 and name H3')  4.0  1.0  1.0
assign (residue 26 and name H2')(residue 27 and name H8)   2.5  0.5  0.8
assign (residue 26 and name H3')(residue 27 and name H8)   4.0  1.0  1.0
assign (residue 26 and name H8)(residue 27 and name H8)    5.0  1.5  1.5
assign (residue 27 and name H1')(residue 27 and name H2')  2.5  0.5  0.5
assign (residue 27 and name H1')(residue 27 and name H4')  3.3  0.7  0.7
assign (residue 27 and name H2 )(residue 28 and name H1')  3.5  1.0  1.0
assign (residue 28 and name H1')(residue 28 and name H2')  2.5  0.5  0.5
assign (residue 28 and name H1')(residue 28 and name H4')  3.3  0.7  0.7
assign (residue 28 and name H2')(residue 29 and name H8)   2.5  0.7  0.7
assign (residue 29 and name H1')(residue 29 and name H2')  2.5  0.5  0.5
assign (residue 29 and name H1')(residue 29 and name H4')  3.3  0.7  0.7
assign (residue 29 and name H2')(residue 30 and name H8)   2.5  0.7  0.7
assign (residue 30 and name H1')(residue 30 and name H2')  2.5  0.5  0.5
assign (residue 30 and name H1')(residue 30 and name H4')  3.3  0.7  0.7
assign (residue 3 and name H2)(residue 4 and name H1)   5.0  1.0  1.0
assign (residue 3 and name H2)(residue 18 and name H3)  2.7  0.5  0.5
assign (residue 4 and name H1)(residue 5 and name H3)   3.0  0.7  0.7
assign (residue 4 and name H1)(residue 18 and name H3)  3.3  0.7  0.7
assign (residue 4 and name H1)(residue 21 and name H6#) 4.5  1.0  1.0
assign (residue 5 and name H1')(residue 21 and name H6#) 2.8  1.0  1.0
assign (residue 5 and name H3)(residue 16 and name H2)  3.0  0.5  0.5
assign (residue 5 and name H3)(residue 21 and name H6#) 4.5  1.0  1.0
assign (residue 5 and name H3)(residue 22 and name H6#) 4.5  1.0  1.0
assign (residue 6 and name H1')(residue 22 and name H6#) 4.5  1.0  1.0
assign (residue 6 and name H1')(residue 23 and name H6#) 2.5  0.7  0.7
assign (residue 6 and name H1)(residue 7 and name H1)   3.5  0.7  0.7
assign (residue 6 and name H1)(residue 15 and name H41) 3.0  0.8  0.8
assign (residue 6 and name H1)(residue 15 and name H42) 2.0  0.7  0.7
assign (residue 7 and name H1)(residue 8 and name H3)   3.7  1.0  1.0
assign (residue 7 and name H1)(residue 14 and name H41) 3.0  0.7  0.7
assign (residue 7 and name H1)(residue 14 and name H42) 2.5  0.7  0.7
assign (residue 7 and name H1')(residue 26 and name H6#) 3.3 0.7  0.7
assign (residue 7 and name H2')(residue 26 and name H6#) 4.0 0.7  0.7
assign (residue 8 and name H1')(residue 26 and name H6#) 4.0  0.7  0.7
assign (residue 8 and name H4')(residue 26 and name H6#) 5.0  1.0  1.0
assign (residue 14 and name HO2')(residue 15 and name H6)  3.3  0.7  0.7
assign (residue 14 and name HO2')(residue 26 and name H2) 4.0  1.0  1.0
assign (residue 14 and name HO2')(residue 27 and name H2) 2.7  1.0  1.0
assign (residue 14 and name HO2')(residue 27 and name H6#) 3.5 0.7  0.7
assign (residue 15 and name H1')(residue 26 and name H6#) 4.3  0.7  0.7
assign (residue 15 and name HO2')(residue 16 and name H8) 3.7  1.0  1.0
assign (residue 15 and name HO2')(residue 24 and name H2) 2.7  1.0  0.7
assign (residue 15 and name HO2')(residue 26 and name H2) 3.5  1.0  1.0
assign (residue 16 and name H1')(residue 22 and name H6#) 4.0  1.0  1.0
assign (residue 16 and name H2')(residue 22 and name H6#) 2.5  0.7  0.7
assign (residue 16 and name H2)(residue 22 and name H6#)  3.0  1.5  1.5
assign (residue 17 and name H1')(residue 21 and name H6#) 2.5  1.0  1.0
assign (residue 17 and name H1')(residue 22 and name H6#) 2.5  1.0  1.0
assign (residue 21 and name H2)(residue 22 and name H6#)  4.0  1.0  1.0
assign (residue 22 and name H6#)(residue 23 and name H2)  4.0  1.0  1.0
assign (residue 22 and name H6#)(residue 23 and name H6#) 3.5  1.0  1.0
assign (residue 23 and name H1')(residue 23 and name HO2') 3.3  0.7  0.7
assign (residue 26 and name H2)(residue 27 and name H6#)  4.0  1.0  1.0
assign (residue 27 and name H62)(residue 12 and name H1)  4.0  1.0  1.0
assign (residue 27 and name H62)(residue 8 and name H3)   5.0  1.0  1.0
{Base pair interactions to prevent shearing}
{ A3 U18 }
assign (residue 3 and name N1 )(residue 18 and name H3)    1.85  0.30  0.30
assign (residue 3 and name N1 )(residue 18 and name N3)    2.82  0.20  0.20
assign (residue 3 and name H62)(residue 18 and name O4)    1.85  0.30  0.30
assign (residue 3 and name N6 )(residue 18 and name O4)    2.95  0.20  0.20
assign (residue 3 and name N1 )(residue 18 and name O4)    3.63  0.20  0.20
assign (residue 3 and name N6 )(residue 18 and name O2)    5.40  0.20  0.20
{ G4 C17 }
assign (residue 4 and name O6 )(residue 17 and name H42)   1.85  0.30  0.30
assign (residue 4 and name O6 )(residue 17 and name N4 )   2.91  0.20  0.20
assign (residue 4 and name H1 )(residue 17 and name N3 )   1.85  0.30  0.30
assign (residue 4 and name N1 )(residue 17 and name N3 )   2.95  0.20  0.20
assign (residue 4 and name H22)(residue 17 and name O2 )   1.85  0.30  0.30
assign (residue 4 and name N2 )(residue 17 and name O2 )   2.86  0.20  0.20
assign (residue 4 and name N2 )(residue 17 and name N3 )   3.65  0.20  0.20
assign (residue 4 and name O6 )(residue 17 and name O2 )   5.42  0.20  0.20
{ U5 A16 }
assign (residue 5 and name H3)(residue 16 and name N1 )    1.85  0.30  0.30
assign (residue 5 and name N3)(residue 16 and name N1 )    2.82  0.20  0.20
assign (residue 5 and name O4)(residue 16 and name H62)    1.85  0.30  0.30
assign (residue 5 and name O4)(residue 16 and name N6 )    2.95  0.20  0.20
assign (residue 5 and name O4)(residue 16 and name N1 )    3.63  0.20  0.20
assign (residue 5 and name O2)(residue 16 and name N6 )    5.40  0.20  0.20
{ G6 C15 }
assign (residue 6 and name O6 )(residue 15 and name H42)   1.85  0.30  0.30
assign (residue 6 and name O6 )(residue 15 and name N4 )   2.91  0.20  0.20
assign (residue 6 and name H1 )(residue 15 and name N3 )   1.85  0.30  0.30
assign (residue 6 and name N1 )(residue 15 and name N3 )   2.95  0.20  0.20
assign (residue 6 and name H22)(residue 15 and name O2 )   1.85  0.30  0.30
assign (residue 6 and name N2 )(residue 15 and name O2 )   2.86  0.20  0.20
assign (residue 6 and name N2 )(residue 15 and name N3 )   3.65  0.20  0.20
assign (residue 6 and name O6 )(residue 15 and name O2 )   5.42  0.20  0.20
{ G7 C14 }
assign (residue 7 and name O6 )(residue 14 and name H42)   1.85  0.30  0.30
assign (residue 7 and name O6 )(residue 14 and name N4 )   2.91  0.20  0.20
assign (residue 7 and name H1 )(residue 14 and name N3 )   1.85  0.30  0.30
assign (residue 7 and name N1 )(residue 14 and name N3 )   2.95  0.20  0.20
assign (residue 7 and name H22)(residue 14 and name O2 )   1.85  0.30  0.30
assign (residue 7 and name N2 )(residue 14 and name O2 )   2.86  0.20  0.20
assign (residue 7 and name N2 )(residue 14 and name N3 )   3.65  0.20  0.20
assign (residue 7 and name O6 )(residue 14 and name O2 )   5.42  0.20  0.20
{ C10 G30 }
assign (residue 10 and name H42)(residue 30 and name O6 )   1.85  0.30  0.30
assign (residue 10 and name N4 )(residue 30 and name O6 )   2.91  0.20  0.20
assign (residue 10 and name N3 )(residue 30 and name H1 )   1.85  0.30  0.30
assign (residue 10 and name N3 )(residue 30 and name N1 )   2.95  0.20  0.20
assign (residue 10 and name O2 )(residue 30 and name H22)   1.85  0.30  0.30
assign (residue 10 and name O2 )(residue 30 and name N2 )   2.86  0.20  0.20
assign (residue 10 and name N3 )(residue 30 and name N2 )   3.65  0.20  0.20
assign (residue 10 and name O2 )(residue 30 and name O6 )   5.42  0.20  0.20
{ C11 G29 }
assign (residue 11 and name H42)(residue 29 and name O6 )   1.85  0.30  0.30
assign (residue 11 and name N4 )(residue 29 and name O6 )   2.91  0.20  0.20
assign (residue 11 and name N3 )(residue 29 and name H1 )   1.85  0.30  0.30
assign (residue 11 and name N3 )(residue 29 and name N1 )   2.95  0.20  0.20
assign (residue 11 and name O2 )(residue 29 and name H22)   1.85  0.30  0.30
assign (residue 11 and name O2 )(residue 29 and name N2 )   2.86  0.20  0.20
assign (residue 11 and name N3 )(residue 29 and name N2 )   3.65  0.20  0.20
assign (residue 11 and name O2 )(residue 29 and name O6 )   5.42  0.20  0.20
{ G12 C28 }
assign (residue 12 and name O6 )(residue 28 and name H42)  1.85  0.30  0.30
assign (residue 12 and name O6 )(residue 28 and name N4 )  2.91  0.20  0.20
assign (residue 12 and name H1 )(residue 28 and name N3 )  1.85  0.30  0.30
assign (residue 12 and name N1 )(residue 28 and name N3 )  2.95  0.20  0.20
assign (residue 12 and name H22)(residue 28 and name O2 )  1.85  0.30  0.30
assign (residue 12 and name N2 )(residue 28 and name O2 )  2.86  0.20  0.20
assign (residue 12 and name N2 )(residue 28 and name N3 )  3.65  0.20  0.20
assign (residue 12 and name O6 )(residue 28 and name O2 )  5.42  0.20  0.20
{Additional Interactions}
{ C8 G12 }
assign (residue 8 and name N3)(residue 12 and name O6 )    2.90  0.10  0.10
assign (residue 8 and name H3)(residue 12 and name O6)     2.00  0.40  0.40
assign (residue 8 and name N4)(residue 12 and name N7 )    2.90  0.10  0.10
assign (residue 8 and name H42)(residue 12 and name N7)    2.00  0.30  0.30

assign (residue 15 and name O2')(residue 24 and name N1)   2.90  0.30  0.30
assign (residue 15 and name HO2')(residue 24 and name N1)  1.90  0.30  0.30
assign (residue 14 and name O2')(residue 27 and name N1)   2.90  0.30  0.30
assign (residue 14 and name HO2')(residue 27 and name N1)  1.90  0.30  0.30
assign (residue 16 and name O2')(residue 22 and name N1)   2.90  0.30  0.30
assign (residue 16 and name HO2')(residue 22 and name N1)  1.90  0.30  0.30
assign (residue 17 and name O2')(residue 21 and name N1)   2.90  0.30  0.30
assign (residue 17 and name HO2')(residue 21 and name N1)  1.90  0.30  0.30

restraints plane
   group
        selection=(
          (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 3 )
        or  (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 18 )
        )
   end

   group
        selection=(
          (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 4 )
        or  (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 17 )
        )
   end

   group
        selection=(
          (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 5 )
        or  (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 16 )
        )
   end

   group
        selection=(
          (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 6 )
        or  (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 15 )
        )
   end
group
        selection=(
          (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 7 )
        or  (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 14 )
        )
   end

   group
        selection=(
          (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 8 )
        or  (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 12 )
        )
   end




   group
        selection=(
          (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 10 )
        or  (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 30 )
        )
   end

   group
        selection=(
          (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 11 )
        or  (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 29 )
        )
   end



end



  Entry H atom name         Submitted Coord H atom name
    1   1H5*    A   3          1H5*        A   3  -4.834   4.098  -7.324
    2   2H5*    A   3          2H5*        A   3  -5.983   5.371  -7.838
    3    H4*    A   3           H4*        A   3  -4.731   5.502 -10.012
    4    H3*    A   3           H3*        A   3  -2.928   3.567  -8.558
    5    H2*    A   3           H2*        A   3  -0.966   4.705  -9.202
    6   2HO*    A   3          2HO*        A   3  -2.656   5.843 -11.159
    7    H1*    A   3           H1*        A   3  -1.864   7.212  -8.960
    8    H8     A   3           H8         A   3  -3.310   5.930  -5.871
    9   1H6     A   3          2H6         A   3   2.212   6.925  -3.238
   10   2H6     A   3          1H6         A   3   0.482   6.658  -2.938
   11    H2     A   3           H2         A   3   2.751   6.843  -7.695
   12   1H5*    G   4          1H5*        G   4  -1.155   2.968 -12.047
   13   2H5*    G   4          2H5*        G   4  -1.088   1.289 -12.607
   14    H4*    G   4           H4*        G   4   1.135   2.195 -12.448
   15    H3*    G   4           H3*        G   4   0.518   0.328 -10.141
   16    H2*    G   4           H2*        G   4   2.749   0.643  -9.355
   17   2HO*    G   4          2HO*        G   4   4.282   1.790 -10.633
   18    H1*    G   4           H1*        G   4   2.926   3.280  -9.968
   19    H8     G   4           H8         G   4  -0.373   2.965  -8.289
   20    H1     G   4           H1         G   4   4.486   4.274  -4.328
   21   1H2     G   4          2H2         G   4   6.411   3.766  -5.328
   22   2H2     G   4          1H2         G   4   6.504   3.117  -6.951
   23   1H5*    U   5          1H5*        U   5   3.761  -0.366 -11.358
   24   2H5*    U   5          2H5*        U   5   4.712  -1.846 -11.426
   25    H4*    U   5           H4*        U   5   5.706  -0.281  -9.864
   26    H3*    U   5           H3*        U   5   4.360  -2.568  -8.391
   27    H2*    U   5           H2*        U   5   5.347  -1.683  -6.431
   28   2HO*    U   5          2HO*        U   5   7.290  -0.912  -8.223
   29    H1*    U   5           H1*        U   5   5.377   0.941  -7.485
   30    H3     U   5           H3         U   5   3.723   1.587  -3.348
   31    H5     U   5           H5         U   5   0.462   1.051  -5.938
   32    H6     U   5           H6         U   5   1.999   0.150  -7.577
   33   1H5*    G   6          1H5*        G   6   8.377  -4.200  -7.670
   34   2H5*    G   6          2H5*        G   6   8.116  -5.881  -7.196
   35    H4*    G   6           H4*        G   6   8.729  -3.936  -5.481
   36    H3*    G   6           H3*        G   6   6.654  -6.073  -4.904
   37    H2*    G   6           H2*        G   6   6.426  -5.105  -2.757
   38   2HO*    G   6          2HO*        G   6   9.077  -4.577  -3.152
   39    H1*    G   6           H1*        G   6   7.186  -2.544  -3.636
   40    H8     G   6           H8         G   6   4.136  -3.262  -5.529
   41    H1     G   6           H1         G   6   3.124  -0.399   0.112
   42   1H2     G   6          2H2         G   6   4.960  -0.722   1.416
   43   2H2     G   6          1H2         G   6   6.366  -1.613   0.877
   44   1H5*    G   7          1H5*        G   7   5.976  -8.715  -2.029
   45   2H5*    G   7          2H5*        G   7   5.886  -7.401  -3.240
   46    H4*    G   7           H4*        G   7   7.405  -6.399  -1.082
   47    H3*    G   7           H3*        G   7   5.131  -8.133  -0.122
   48    H2*    G   7           H2*        G   7   4.418  -6.478   1.365
   49   2HO*    G   7          2HO*        G   7   7.126  -5.846   1.361
   50    H1*    G   7           H1*        G   7   5.369  -4.298  -0.105
   51    H8     G   7           H8         G   7   3.161  -5.749  -2.525
   52    H1     G   7           H1         G   7  -0.072  -2.230   1.748
   53   1H2     G   7          2H2         G   7   1.227  -1.992   3.619
   54   2H2     G   7          1H2         G   7   2.825  -2.688   3.772
   55   1H5*   CH   8          1H5*       CH   8   4.694 -10.820   3.529
   56   2H5*   CH   8          2H5*       CH   8   6.321 -10.361   4.089
   57    H4*   CH   8           H4*       CH   8   5.552  -8.713   5.440
   58    H3*   CH   8           H3*       CH   8   3.160 -10.498   5.029
   59    H2*   CH   8           H2*       CH   8   1.768  -9.003   6.207
   60   2HO*   CH   8          2HO*       CH   8   4.199  -8.253   7.357
   61    H1*   CH   8           H1*       CH   8   2.993  -6.720   5.450
   62    HN3   CH   8           H3        CH   8  -1.069  -5.872   3.890
   63   1H4    CH   8          1H4        CH   8  -1.106  -6.672   0.431
   64   2H4    CH   8          2H4        CH   8  -1.913  -5.876   1.733
   65    H5    CH   8           H5        CH   8   1.023  -7.841   0.743
   66    H6    CH   8           H6        CH   8   2.696  -8.534   2.403
   67   1H5*    G   9          1H5*        G   9   0.388 -12.578   6.023
   68   2H5*    G   9          2H5*        G   9   1.348 -13.519   7.189
   69    H4*    G   9           H4*        G   9   2.731 -12.734   4.676
   70    H3*    G   9           H3*        G   9   0.128 -14.164   4.619
   71    H2*    G   9           H2*        G   9   0.849 -16.094   3.673
   72   2HO*    G   9          2HO*        G   9   2.161 -16.095   2.003
   73    H1*    G   9           H1*        G   9   3.569 -16.086   4.363
   74    H8     G   9           H8         G   9  -0.003 -16.377   5.721
   75    H1     G   9           H1         G   9   3.988 -20.775   8.035
   76   1H2     G   9          1H2         G   9   6.057 -20.352   7.367
   77   2H2     G   9          2H2         G   9   6.457 -18.986   6.350
   78   1H5*    C  10          2H5*        C  10  -0.996 -14.502  -0.315
   79   2H5*    C  10          1H5*        C  10  -1.419 -12.868  -0.897
   80    H4*    C  10           H4*        C  10  -3.237 -14.669  -0.018
   81    H3*    C  10           H3*        C  10  -3.214 -11.669   0.071
   82    H2*    C  10           H2*        C  10  -5.105 -11.566   1.455
   83   2HO*    C  10          2HO*        C  10  -5.649 -14.045   0.274
   84    H1*    C  10           H1*        C  10  -4.685 -13.877   2.857
   85   1H4     C  10          2H4         C  10  -3.203  -9.893   7.432
   86   2H4     C  10          1H4         C  10  -1.508 -10.181   7.041
   87    H5     C  10           H5         C  10  -0.777 -11.343   5.020
   88    H6     C  10           H6         C  10  -1.510 -12.541   3.046
   89   1H5*    C  11          2H5*        C  11  -6.338 -10.670  -2.956
   90   2H5*    C  11          1H5*        C  11  -5.577  -9.070  -3.180
   91    H4*    C  11           H4*        C  11  -7.600  -9.713  -1.375
   92    H3*    C  11           H3*        C  11  -5.635  -7.414  -1.477
   93    H2*    C  11           H2*        C  11  -6.346  -6.685   0.617
   94   2HO*    C  11          2HO*        C  11  -8.754  -7.775  -0.235
   95    H1*    C  11           H1*        C  11  -7.182  -9.236   1.511
   96   1H4     C  11          2H4         C  11  -2.669  -8.005   5.711
   97   2H4     C  11          1H4         C  11  -1.656  -9.114   4.789
   98    H5     C  11           H5         C  11  -2.253  -9.967   2.622
   99    H6     C  11           H6         C  11  -3.946  -9.956   0.858
  100   1H5*    G  12          1H5*        G  12  -7.239  -2.806  -1.954
  101   2H5*    G  12          2H5*        G  12  -6.055  -4.046  -1.439
  102    H4*    G  12           H4*        G  12  -8.446  -3.504   0.289
  103    H3*    G  12           H3*        G  12  -6.133  -1.583  -0.053
  104    H2*    G  12           H2*        G  12  -6.018  -1.285   2.272
  105   2HO*    G  12          2HO*        G  12  -7.801  -1.833   3.628
  106    H1*    G  12           H1*        G  12  -7.100  -3.800   2.913
  107    H8     G  12           H8         G  12  -4.116  -4.744   1.093
  108    H1     G  12           H1         G  12  -3.086  -3.798   7.325
  109   1H2     G  12          2H2         G  12  -4.755  -2.580   8.191
  110   2H2     G  12          1H2         G  12  -6.106  -2.005   7.216
  111   1H5*    A  13          2H5*        A  13  -6.755   1.456   2.219
  112   2H5*    A  13          1H5*        A  13  -8.020   0.559   3.082
  113    H4*    A  13           H4*        A  13  -7.782   3.553   2.675
  114    H3*    A  13           H3*        A  13  -7.117   1.757   4.768
  115    H2*    A  13           H2*        A  13  -9.020   1.578   5.936
  116   2HO*    A  13          2HO*        A  13  -8.768   4.413   6.080
  117    H1*    A  13           H1*        A  13 -10.614   3.731   4.826
  118    H8     A  13           H8         A  13 -10.520   0.246   3.275
  119   1H6     A  13          2H6         A  13 -15.481  -1.035   6.692
  120   2H6     A  13          1H6         A  13 -14.425  -1.614   5.423
  121    H2     A  13           H2         A  13 -13.935   2.997   7.936
  122   1H5*    C  14          1H5*        C  14  -3.871   2.988   4.813
  123   2H5*    C  14          2H5*        C  14  -5.136   2.033   5.641
  124    H4*    C  14           H4*        C  14  -3.542   2.364   7.733
  125    H3*    C  14           H3*        C  14  -1.818   3.100   5.440
  126    H2*    C  14           H2*        C  14  -0.204   1.420   5.715
  127   2HO*    C  14          2HO*        C  14   0.115   0.343   7.631
  128    H1*    C  14           H1*        C  14  -1.697  -0.612   6.494
  129   1H4     C  14          2H4         C  14  -1.913  -1.970   0.395
  130   2H4     C  14          1H4         C  14  -3.490  -1.242   0.346
  131    H5     C  14           H5         C  14  -4.441   0.049   2.137
  132    H6     C  14           H6         C  14  -4.049   0.884   4.393
  133   1H5*    C  15          1H5*        C  15   0.649   2.641   7.947
  134   2H5*    C  15          2H5*        C  15   1.825   3.793   8.583
  135    H4*    C  15           H4*        C  15   3.067   1.907   7.869
  136    H3*    C  15           H3*        C  15   3.197   4.024   5.706
  137    H2*    C  15           H2*        C  15   4.764   2.594   4.584
  138   2HO*    C  15          2HO*        C  15   5.615   0.738   5.648
  139    H1*    C  15           H1*        C  15   3.457   0.286   5.250
  140   1H4     C  15          2H4         C  15   0.978   0.374  -0.462
  141   2H4     C  15          1H4         C  15  -0.371   1.280   0.180
  142    H5     C  15           H5         C  15  -0.415   2.243   2.385
  143    H6     C  15           H6         C  15   0.843   2.517   4.456
  144   1H5*    A  16          1H5*        A  16   7.359   3.232   6.404
  145   2H5*    A  16          2H5*        A  16   8.237   4.749   6.201
  146    H4*    A  16           H4*        A  16   9.028   2.920   4.700
  147    H3*    A  16           H3*        A  16   7.839   5.384   3.403
  148    H2*    A  16           H2*        A  16   8.510   4.460   1.277
  149   2HO*    A  16          2HO*        A  16   9.820   2.536   1.215
  150    H1*    A  16           H1*        A  16   7.734   1.947   1.850
  151    H8     A  16           H8         A  16   5.009   4.081   3.291
  152   1H6     A  16          2H6         A  16   1.956   2.465  -1.842
  153   2H6     A  16          1H6         A  16   1.809   3.146  -0.210
  154    H2     A  16           H2         A  16   6.332   1.580  -2.433
  155   1H5*    C  17          2H5*        C  17  11.958   6.103   1.247
  156   2H5*    C  17          1H5*        C  17  11.323   7.556   0.426
  157    H4*    C  17           H4*        C  17  11.592   4.952  -0.615
  158    H3*    C  17           H3*        C  17  10.041   7.353  -1.615
  159    H2*    C  17           H2*        C  17   9.380   6.006  -3.465
  160   2HO*    C  17          2HO*        C  17  10.407   3.999  -3.915
  161    H1*    C  17           H1*        C  17   9.108   3.708  -1.927
  162   1H4     C  17          2H4         C  17   3.010   5.057  -2.522
  163   2H4     C  17          1H4         C  17   3.082   5.708  -0.886
  164    H5     C  17           H5         C  17   5.144   6.085   0.308
  165    H6     C  17           H6         C  17   7.589   5.894   0.203
  166   1H5*    U  18          2H5*        U  18  12.299   8.445  -6.578
  167   2H5*    U  18          1H5*        U  18  11.099   9.299  -5.574
  168    H4*    U  18           H4*        U  18  10.708   6.683  -7.096
  169    H3*    U  18           H3*        U  18  10.055   9.380  -7.822
  170    H2*    U  18           H2*        U  18   7.798   9.294  -6.963
  171   2HO*    U  18          2HO*        U  18   6.601   7.448  -8.132
  172    H1*    U  18           H1*        U  18   7.841   6.422  -6.964
  173    H3     U  18           H3         U  18   3.762   7.086  -5.165
  174    H5     U  18           H5         U  18   6.596   7.732  -2.129
  175    H6     U  18           H6         U  18   8.277   7.964  -3.876
  176   1H5*    U  19          1H5*        U  19  11.667   5.935  -9.745
  177   2H5*    U  19          2H5*        U  19  12.710   6.269 -11.143
  178    H4*    U  19           H4*        U  19  11.816   3.938 -11.356
  179    H3*    U  19           H3*        U  19  11.389   5.967 -13.340
  180    H2*    U  19           H2*        U  19   9.085   6.040 -13.213
  181   2HO*    U  19          2HO*        U  19   9.538   4.947 -15.202
  182    H1*    U  19           H1*        U  19   8.978   3.163 -12.396
  183    H3     U  19           H3         U  19   4.557   3.215 -12.038
  184    H5     U  19           H5         U  19   5.629   6.891 -10.286
  185    H6     U  19           H6         U  19   7.916   6.430 -10.853
  186   1H5*    A  20          1H5*        A  20  14.876   1.932 -12.335
  187   2H5*    A  20          2H5*        A  20  13.941   0.464 -12.682
  188    H4*    A  20           H4*        A  20  14.921   1.087 -10.231
  189    H3*    A  20           H3*        A  20  12.812  -0.645 -11.296
  190    H2*    A  20           H2*        A  20  11.282  -0.472  -9.676
  191   2HO*    A  20          2HO*        A  20  12.298  -0.244  -7.380
  192    H1*    A  20           H1*        A  20  12.380   1.585  -8.024
  193    H8     A  20           H8         A  20  10.169   0.737 -11.059
  194   1H6     A  20          2H6         A  20   6.095   4.705  -8.723
  195   2H6     A  20          1H6         A  20   6.386   3.518  -9.973
  196    H2     A  20           H2         A  20   9.811   4.932  -6.230
  197   1H5*    A  21          1H5*        A  21  14.655  -5.339  -8.175
  198   2H5*    A  21          2H5*        A  21  13.205  -4.793  -9.043
  199    H4*    A  21           H4*        A  21  14.361  -3.600  -6.475
  200    H3*    A  21           H3*        A  21  11.867  -5.128  -7.159
  201    H2*    A  21           H2*        A  21  10.640  -3.667  -5.957
  202   2HO*    A  21          2HO*        A  21  11.046  -3.970  -3.912
  203    H1*    A  21           H1*        A  21  12.957  -1.834  -5.537
  204    H8     A  21           H8         A  21   9.879  -2.158  -7.902
  205   1H6     A  21          2H6         A  21   7.960   3.119  -5.315
  206   2H6     A  21          1H6         A  21   7.537   1.866  -6.469
  207    H2     A  21           H2         A  21  11.856   2.081  -3.522
  208   1H5*    A  22          2H5*        A  22  14.876  -4.926  -4.226
  209   2H5*    A  22          1H5*        A  22  15.060  -5.669  -2.625
  210    H4*    A  22           H4*        A  22  16.073  -3.354  -2.907
  211    H3*    A  22           H3*        A  22  14.371  -4.383  -0.761
  212    H2*    A  22           H2*        A  22  13.283  -2.507  -0.241
  213   2HO*    A  22          2HO*        A  22  15.008  -1.867   1.021
  214    H1*    A  22           H1*        A  22  14.629  -0.672  -2.105
  215    H8     A  22           H8         A  22  11.560  -2.444  -3.326
  216   1H6     A  22          2H6         A  22   8.277   2.290  -1.139
  217   2H6     A  22          1H6         A  22   8.223   0.854  -2.136
  218    H2     A  22           H2         A  22  12.485   2.680   0.381
  219   1H5*    A  23          2H5*        A  23  16.300  -6.140   2.532
  220   2H5*    A  23          1H5*        A  23  15.275  -5.842   1.114
  221    H4*    A  23           H4*        A  23  16.642  -3.480   2.327
  222    H3*    A  23           H3*        A  23  14.966  -5.255   3.886
  223    H2*    A  23           H2*        A  23  12.980  -4.257   3.708
  224   2HO*    A  23          2HO*        A  23  12.819  -2.591   4.976
  225    H1*    A  23           H1*        A  23  13.717  -1.855   2.218
  226    H8     A  23           H8         A  23  12.677  -5.327   0.653
  227   1H6     A  23          2H6         A  23   7.218  -2.735  -0.333
  228   2H6     A  23          1H6         A  23   8.201  -4.164  -0.543
  229    H2     A  23           H2         A  23   9.781   0.297   1.768
  230   1H5*    A  24          2H5*        A  24  14.092  -2.210   6.234
  231   2H5*    A  24          1H5*        A  24  14.773  -2.401   7.864
  232    H4*    A  24           H4*        A  24  12.677  -2.726   8.710
  233    H3*    A  24           H3*        A  24  13.082  -5.113   7.163
  234    H2*    A  24           H2*        A  24  11.055  -5.170   6.156
  235   2HO*    A  24          2HO*        A  24  10.557  -5.556   8.762
  236    H1*    A  24           H1*        A  24   9.865  -2.861   7.613
  237    H8     A  24           H8         A  24  10.599  -4.177   3.952
  238   1H6     A  24          1H6         A  24   5.821  -0.752   2.547
  239   2H6     A  24          2H6         A  24   7.010  -1.884   1.951
  240    H2     A  24           H2         A  24   6.677  -0.200   6.934
  241   1H5*    C  25          2H5*        C  25  11.156  -7.017  12.835
  242   2H5*    C  25          1H5*        C  25  12.703  -6.205  12.520
  243    H4*    C  25           H4*        C  25  13.244  -8.274  11.046
  244    H3*    C  25           H3*        C  25  10.654  -9.009  12.183
  245    H2*    C  25           H2*        C  25  11.261 -10.619  13.609
  246   2HO*    C  25          2HO*        C  25  12.294 -11.522  11.307
  247    H1*    C  25           H1*        C  25  14.129 -10.487  13.498
  248   1H4     C  25          2H4         C  25  12.804 -10.176  19.685
  249   2H4     C  25          1H4         C  25  11.541  -8.994  19.420
  250    H5     C  25           H5         C  25  10.933  -8.180  17.234
  251    H6     C  25           H6         C  25  11.446  -8.279  14.838
  252   1H5*    A  26          1H5*        A  26   7.747  -8.673  10.597
  253   2H5*    A  26          2H5*        A  26   7.985  -8.150   8.916
  254    H4*    A  26           H4*        A  26   8.641  -6.357  11.268
  255    H3*    A  26           H3*        A  26   6.020  -7.108  10.154
  256    H2*    A  26           H2*        A  26   5.408  -5.111   9.308
  257   2HO*    A  26          2HO*        A  26   5.916  -4.405  11.759
  258    H1*    A  26           H1*        A  26   7.903  -3.689   9.359
  259    H8     A  26           H8         A  26   8.512  -5.960   6.706
  260   1H6     A  26          2H6         A  26   4.718  -2.825   3.038
  261   2H6     A  26          1H6         A  26   6.056  -3.947   3.100
  262    H2     A  26           H2         A  26   3.624  -1.854   7.264
  263   1H5*    A  27          2H5*        A  27   2.784  -6.754  14.006
  264   2H5*    A  27          1H5*        A  27   3.413  -6.854  12.348
  265    H4*    A  27           H4*        A  27   4.443  -4.680  14.142
  266    H3*    A  27           H3*        A  27   1.657  -4.903  13.063
  267    H2*    A  27           H2*        A  27   1.660  -2.830  12.115
  268   2HO*    A  27          2HO*        A  27   2.243  -1.696  13.982
  269    H1*    A  27           H1*        A  27   4.362  -2.552  11.516
  270    H8     A  27           H8         A  27   3.421  -5.695   9.827
  271   1H6     A  27          2H6         A  27   0.336  -2.503   5.618
  272   2H6     A  27          1H6         A  27   0.932  -4.085   6.075
  273    H2     A  27           H2         A  27   1.440   0.328   8.884
  274   1H5*    C  28          2H5*        C  28  -2.035  -3.637  15.513
  275   2H5*    C  28          1H5*        C  28  -1.748  -4.051  13.812
  276    H4*    C  28           H4*        C  28  -2.449  -1.353  15.003
  277    H3*    C  28           H3*        C  28  -3.743  -3.401  13.307
  278    H2*    C  28           H2*        C  28  -4.325  -2.073  11.533
  279   2HO*    C  28          2HO*        C  28  -4.443   0.241  11.753
  280    H1*    C  28           H1*        C  28  -2.254  -0.301  11.421
  281   1H4     C  28          2H4         C  28  -1.037  -5.099   7.356
  282   2H4     C  28          1H4         C  28   0.380  -5.403   8.367
  283    H5     C  28           H5         C  28   0.724  -4.364  10.536
  284    H6     C  28           H6         C  28  -0.179  -2.706  12.131
  285   1H5*    G  29          1H5*        G  29  -6.030  -1.072  13.319
  286   2H5*    G  29          2H5*        G  29  -7.737  -0.667  13.604
  287    H4*    G  29           H4*        G  29  -7.631  -0.863  11.295
  288    H3*    G  29           H3*        G  29  -8.166  -3.670  12.298
  289    H2*    G  29           H2*        G  29  -8.144  -4.438  10.098
  290   2HO*    G  29          2HO*        G  29  -9.249  -1.965   9.633
  291    H1*    G  29           H1*        G  29  -6.488  -2.311   9.170
  292    H8     G  29           H8         G  29  -4.174  -4.031  11.281
  293    H1     G  29           H1         G  29  -4.819  -6.828   5.565
  294   1H2     G  29          2H2         G  29  -6.764  -6.197   4.658
  295   2H2     G  29          1H2         G  29  -7.876  -5.105   5.456
  296   1H5*    G  30          1H5*        G  30 -11.839  -5.704  12.772
  297   2H5*    G  30          2H5*        G  30 -10.299  -6.590  12.723
  298    H4*    G  30           H4*        G  30 -12.423  -6.230  10.596
  299    H3*    G  30           H3*        G  30 -11.203  -8.513  12.095
  300    H2*    G  30           H2*        G  30 -11.142  -9.925  10.191
  301   2HO*    G  30          2HO*        G  30 -12.205  -9.140   8.210
  302    H1*    G  30           H1*        G  30 -10.536  -8.069   8.325
  303    H8     G  30           H8         G  30  -8.431  -7.377  11.399
  304    H1     G  30           H1         G  30  -5.461 -10.336   6.554
  305   1H2     G  30          2H2         G  30  -6.998 -11.124   5.136
  306   2H2     G  30          1H2         G  30  -8.719 -10.924   5.389
  307    H3T    G  30           H3T        G  30 -13.434  -9.266  11.387