*HEADER    CELL CYCLE                              18-JAN-20   6VK2              
*TITLE     NMR SOLUTION STRUCTURE OF GRB2-SH2 DOMAIN AT PH 7                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2;                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ADAPTER PROTEIN GRB2,PROTEIN ASH,SH2/SH3 ADAPTER GRB2;      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: GRB2, ASH;                                                     
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)                                  
*KEYWDS    GRB2, SH2 DOMAIN, DYNAMICS, CELL CYCLE                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.SANCHES,I.P.CARUSO,F.A.MELO,F.C.L.ALMEIDA                           
*REVDAT   1   29-JUL-20 6VK2    0                                                
# Restraints file 1: fa_all_3.cst
AmbiguousNMRDistance HE 54 HD2 43 BOUNDED 1.796 4.148 0.3 NOE; rawdata from unambig ! spec=AroNoesy, no=16, id=1278,   
AmbiguousNMRDistance HE1 25 HB 28 BOUNDED 1.766 3.998 0.3 NOE; rawdata from unambig ! spec=AroNoesy, no=26, id=1284,
AmbiguousNMRDistance HE1 25 HB1 95 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=AroNoesy, no=27, id=1285,
AmbiguousNMRDistance HD2 4 HB2 3 BOUNDED 1.801 6.177 0.3 NOE; rawdata from unambig ! spec=AroNoesy, no=30, id=1288, viol = 0.499A + 2A
AmbiguousNMRDistance HD 54 HB 43 BOUNDED 1.778 4.052 0.3 NOE; rawdata from unambig ! spec=AroNoesy, no=52, id=1299,
AmbiguousNMRDistance HG2 45 HD 47 BOUNDED 1.687 3.649 0.3 NOE; rawdata from unambig ! spec=AroNoesy, no=53, id=1300,
AmbiguousNMRDistance HD 8 H 9 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=AroNoesy, no=64, id=1306,
AmbiguousNMRDistance HZ 29 HD1 31 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=AroNoesy, no=68, id=1307,
AmbiguousNMRDistance HZ 29 HB1 94 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=AroNoesy, no=69, id=1308,
AmbiguousNMRDistance HD 80 HB1 77 BOUNDED 1.797 4.151 0.3 NOE; rawdata from unambig ! spec=AroNoesy, no=86, id=1315,
AmbiguousNMRDistance HE1 53 HB2 55 BOUNDED 1.752 4.432 0.3 NOE; rawdata from unambig ! spec=AroNoesy, no=93, id=1320, +0.5
AmbiguousNMRDistance HE1 53 HD1 66 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=AroNoesy, no=94, id=1321, 
AmbiguousNMRDistance HE2 54 HG1 45 BOUNDED 1.757 3.955 0.3 NOE; rawdata from unambig ! spec=AroNoesy, no=103, id=1328,    
AmbiguousNMRDistance HD 8 HB2 7 BOUNDED 1.835 4.369 0.3 NOE; rawdata from unambig ! spec=AroNoesy, no=116, id=1337,
AmbiguousNMRDistance HD1 6 HE1 4 BOUNDED 1.67 3.578 0.3 NOE; rawdata from unambig ! spec=AroNoesy, no=138, id=1346,
AmbiguousNMRDistance HD 80 HE1 81 BOUNDED 1.733 3.845 0.3 NOE; rawdata from unambig ! spec=AroNoesy, no=143, id=1347,
AmbiguousNMRDistance HD2 25 HA 28 BOUNDED 1.672 4.19 0.3 NOE; rawdata from unambig ! spec=AroNoesy, no=154, id=1353,  viol = 0.42A  +0.6A
AmbiguousNMRDistance HD1 8 HE 7 BOUNDED 1.754 4.44 0.3 NOE; rawdata from unambig ! spec=AroNoesy, no=159, id=1354, viol = 0.296A  +0.5
AmbiguousNMRDistance H 28 HD1 20 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=AroNoesy, no=165, id=1355,
AmbiguousNMRDistance HA 14 HB2 18 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=5, id=372,
AmbiguousNMRDistance HE3 19 HD2 30 BOUNDED 1.612 3.862 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=7, id=373, +0.5   
AmbiguousNMRDistance HD2 94 HB2 29 BOUNDED 1.68 3.622 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=17, id=378,
AmbiguousNMRDistance HG2 45 HB1 29 BOUNDED 1.746 3.906 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=18, id=379,
AmbiguousNMRDistance HD22 20 HG 23 BOUNDED 1.8 4.168 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=19, id=380,   
AmbiguousNMRDistance HG13 51 HD1 20 BOUNDED 1.476 2.928 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=21, id=381,
AmbiguousNMRDistance HB1 3 HG1 35 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=23, id=383,
AmbiguousNMRDistance H 43 HA 42 BOUNDED 1.603 3.333 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=25, id=385,
AmbiguousNMRDistance HB2 77 HE1 70 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=30, id=387,
AmbiguousNMRDistance HB1 20 HE2 46 BOUNDED 1.795 4.145 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=31, id=388,
AmbiguousNMRDistance HB2 20 HE2 46 BOUNDED 1.675 3.601 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=33, id=390,
AmbiguousNMRDistance HB1 74 HE2 70 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=34, id=391,
AmbiguousNMRDistance HD11 20 HG2 51 BOUNDED 1.656 3.528 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=76, id=420,   
AmbiguousNMRDistance HA 31 HD2 43 BOUNDED 1.709 4.737 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=104, id=440, viol=0.6A  +1
AmbiguousNMRDistance HA 73 HA 74 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=127, id=455,
AmbiguousNMRDistance HG23 92 HG1 86 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=145, id=470,
AmbiguousNMRDistance HD11 11 HD2 30 BOUNDED 1.658 4.132 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=152, id=477, +0.6
AmbiguousNMRDistance HD1 11 HB2 15 BOUNDED 1.734 3.848 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=155, id=480,
AmbiguousNMRDistance HD1 11 HB1 8 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=158, id=483,   
AmbiguousNMRDistance HD11 11 HD 7 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=162, id=487, 
AmbiguousNMRDistance HG2 11 HD2 12 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=173, id=496,   
AmbiguousNMRDistance HG2 11 HB2 32 BOUNDED 1.858 4.506 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=176, id=499, 
AmbiguousNMRDistance HG23 11 HD2 30 BOUNDED 1.806 4.204 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=182, id=504,
AmbiguousNMRDistance HA 12 HD1 11 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=187, id=509,    
AmbiguousNMRDistance H 13 HA 12 BOUNDED 1.663 3.553 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=198, id=513,
AmbiguousNMRDistance HB1 12 H 13 BOUNDED 1.836 4.372 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=201, id=514,
AmbiguousNMRDistance HB1 12 HB 14 BOUNDED 1.651 3.507 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=206, id=518,
AmbiguousNMRDistance HD1 12 HA 11 BOUNDED 1.729 3.827 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=208, id=520,
AmbiguousNMRDistance HA 13 HB 16 BOUNDED 1.665 3.561 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=219, id=528,    
AmbiguousNMRDistance HA 14 H 13 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=232, id=538,
AmbiguousNMRDistance H 15 HB 14 BOUNDED 1.733 3.843 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=242, id=547,
AmbiguousNMRDistance HB 14 H 13 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=243, id=548,
AmbiguousNMRDistance HA 15 HB2 18 BOUNDED 1.615 3.377 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=248, id=552,
AmbiguousNMRDistance HA 15 HE 19 BOUNDED 1.78 4.066 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=250, id=554,
AmbiguousNMRDistance HA 16 HD1 11 BOUNDED 1.694 3.676 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=269, id=571,
AmbiguousNMRDistance HA 16 HD2 30 BOUNDED 1.61 3.356 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=272, id=574,
AmbiguousNMRDistance HA 16 H 18 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=276, id=578,
AmbiguousNMRDistance HA 92 HB1 93 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=281, id=583,
AmbiguousNMRDistance HA 17 HB1 20 BOUNDED 1.761 3.971 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=286, id=587,
AmbiguousNMRDistance HA 17 HG2 51 BOUNDED 1.685 3.639 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=288, id=589,   
AmbiguousNMRDistance HB2 17 HB 51 BOUNDED 1.752 3.932 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=290, id=591,
AmbiguousNMRDistance H 19 HA 18 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=295, id=596,
AmbiguousNMRDistance HA 20 H 23 BOUNDED 1.787 4.101 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=313, id=614,
AmbiguousNMRDistance HA 20 HG1 23 BOUNDED 1.747 3.909 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=316, id=617,
AmbiguousNMRDistance HD22 20 HB 28 BOUNDED 1.593 3.299 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=323, id=623, 
AmbiguousNMRDistance HD2 20 HA 29 BOUNDED 1.793 4.137 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=326, id=626,
AmbiguousNMRDistance HB2 21 HG1 51 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=336, id=636,   
AmbiguousNMRDistance HA 22 HG1 24 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=340, id=639,
AmbiguousNMRDistance HA 24 HE1 46 BOUNDED 1.671 4.085 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=341, id=640, +0.5
AmbiguousNMRDistance H 23 HA 22 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=344, id=643,
AmbiguousNMRDistance H 47 HA 26 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=353, id=650,
AmbiguousNMRDistance HB1 26 HA 47 BOUNDED 1.798 4.158 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=355, id=651,
AmbiguousNMRDistance HB1 26 HD 47 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=356, id=652,
AmbiguousNMRDistance HA2 27 H 46 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=357, id=653,
AmbiguousNMRDistance HA2 27 HA 92 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=358, id=654,
AmbiguousNMRDistance HA1 27 HD 93 BOUNDED 1.714 4.264 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=367, id=661, +0.5
AmbiguousNMRDistance HA 28 HD 29 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=369, id=663,
AmbiguousNMRDistance HA 28 HD2 20 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=373, id=666,
AmbiguousNMRDistance HB 28 HA 47 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=375, id=667, 
AmbiguousNMRDistance HB 28 H 46 BOUNDED 1.762 3.976 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=376, id=668, 
AmbiguousNMRDistance HA 29 H 46 BOUNDED 1.784 4.086 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=377, id=669,
AmbiguousNMRDistance H 30 HA 29 BOUNDED 1.628 3.424 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=378, id=670,
AmbiguousNMRDistance HA 29 HD2 43 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=379, id=671,
AmbiguousNMRDistance HA 29 HD1 20 BOUNDED 1.676 3.602 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=380, id=672,   
AmbiguousNMRDistance HA 29 HA 45 BOUNDED 1.673 3.591 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=382, id=674,
AmbiguousNMRDistance HA 30 HB1 44 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=387, id=677,
AmbiguousNMRDistance H 31 HA 30 BOUNDED 1.617 3.383 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=389, id=679,
AmbiguousNMRDistance HD2 30 HG12 11 BOUNDED 1.691 4.663 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=392, id=682, +1
AmbiguousNMRDistance HD1 31 HA 43 BOUNDED 1.843 4.413 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=402, id=692,
AmbiguousNMRDistance HD11 31 HD2 74 BOUNDED 1.676 3.604 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=408, id=698,    
AmbiguousNMRDistance HD11 31 HG1 78 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=409, id=699,
AmbiguousNMRDistance HD11 31 HD1 74 BOUNDED 1.656 3.528 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=410, id=700,  
AmbiguousNMRDistance H 33 HA 32 BOUNDED 1.667 3.569 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=416, id=706,
AmbiguousNMRDistance HA 32 HB 11 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=418, id=708,
AmbiguousNMRDistance HA 33 HB 56 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=425, id=713,
AmbiguousNMRDistance HA 35 HA 37 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=432, id=719,
AmbiguousNMRDistance HB2 36 HA 37 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=442, id=725,
AmbiguousNMRDistance HB1 36 HD2 38 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=446, id=727,
AmbiguousNMRDistance H 39 HA 38 BOUNDED 1.629 3.425 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=458, id=735,
AmbiguousNMRDistance HB2 38 HA 37 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=461, id=737,
AmbiguousNMRDistance HB2 38 HB 37 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=462, id=738,   
AmbiguousNMRDistance HD2 38 HA 36 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=471, id=747,
AmbiguousNMRDistance HA 40 HD1 58 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=490, id=760,
AmbiguousNMRDistance HA 40 HA2 39 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=491, id=761,
AmbiguousNMRDistance HA 41 HA 33 BOUNDED 1.697 3.689 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=492, id=762,
AmbiguousNMRDistance H 42 HA 41 BOUNDED 1.602 3.328 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=495, id=764,
AmbiguousNMRDistance HA 41 H 32 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=496, id=765,
AmbiguousNMRDistance HA 43 HG2 56 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=502, id=770,   
AmbiguousNMRDistance H 44 HA 43 BOUNDED 1.636 3.45 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=503, id=771,
AmbiguousNMRDistance HD13 43 HD1 74 BOUNDED 1.591 3.291 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=509, id=776,
AmbiguousNMRDistance HD11 74 HD2 43 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=511, id=778,
AmbiguousNMRDistance HD2 43 HB2 54 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=514, id=780,      
AmbiguousNMRDistance HG 43 HD 54 BOUNDED 1.831 4.839 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=519, id=785, viol ~ 0.38A +0.5
AmbiguousNMRDistance HA 44 HG1 45 BOUNDED 1.79 4.118 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=521, id=786,
AmbiguousNMRDistance H 45 HA 44 BOUNDED 1.581 3.257 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=525, id=789,
AmbiguousNMRDistance H 46 HA 45 BOUNDED 1.588 3.282 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=526, id=790,
AmbiguousNMRDistance HA 45 HD1 20 BOUNDED 1.729 3.825 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=533, id=794,
AmbiguousNMRDistance HB 45 HD1 92 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=535, id=796,
AmbiguousNMRDistance H 96 HA 28 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=557, id=805,
AmbiguousNMRDistance HA 30 HA 43 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=566, id=810,
AmbiguousNMRDistance HA 50 HG2 51 BOUNDED 1.709 3.739 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=569, id=812, 
AmbiguousNMRDistance H 52 HA 51 BOUNDED 1.595 3.305 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=581, id=820,
AmbiguousNMRDistance HA 51 HG2 92 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=582, id=821,
AmbiguousNMRDistance H 54 HA 53 BOUNDED 1.599 3.321 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=587, id=824,
AmbiguousNMRDistance HA 54 H 56 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=588, id=825,
AmbiguousNMRDistance HA 54 HE22 52 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=590, id=827,
AmbiguousNMRDistance H 56 HA 55 BOUNDED 1.578 3.246 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=595, id=830,
AmbiguousNMRDistance HA 55 HG 57 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=597, id=832,
AmbiguousNMRDistance H 58 HA 57 BOUNDED 1.591 3.291 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=608, id=843,
AmbiguousNMRDistance H 59 HA 58 BOUNDED 1.64 3.468 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=616, id=847,
AmbiguousNMRDistance HB2 58 HA 57 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=619, id=850,
AmbiguousNMRDistance HB 61 HA 63 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=629, id=857,
AmbiguousNMRDistance HB2 65 HA 64 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=642, id=867,
AmbiguousNMRDistance HG1 70 HA 72 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=647, id=872,
AmbiguousNMRDistance HA 72 H 71 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=650, id=875,
AmbiguousNMRDistance HA 74 HB2 77 BOUNDED 1.802 4.184 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=652, id=877,
AmbiguousNMRDistance HA 74 HG2 56 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=655, id=880,
AmbiguousNMRDistance HA 75 HG1 78 BOUNDED 1.799 4.165 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=661, id=886,
AmbiguousNMRDistance HA 75 HB 78 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=663, id=888,
AmbiguousNMRDistance HA 76 H 80 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=673, id=896,
AmbiguousNMRDistance HA 78 HD1 43 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=682, id=903,
AmbiguousNMRDistance HA 78 H 80 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=685, id=905,
AmbiguousNMRDistance HG1 78 H 80 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=688, id=908,
AmbiguousNMRDistance HG23 78 HD1 43 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=694, id=914,
AmbiguousNMRDistance HG2 78 H 80 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=697, id=917,
AmbiguousNMRDistance HB 84 HA 82 BOUNDED 1.8 6.7 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=711, id=929, +0.2
AmbiguousNMRDistance H 93 HA 92 BOUNDED 1.613 3.367 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=718, id=933,
AmbiguousNMRDistance HA 92 HG1 86 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=720, id=935, 
AmbiguousNMRDistance HD1 92 HZ 54 BOUNDED 1.843 4.417 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=727, id=940,
AmbiguousNMRDistance HD11 92 HE 54 BOUNDED 1.788 4.108 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=728, id=941,  
AmbiguousNMRDistance HD1 92 HE22 52 BOUNDED 1.822 4.288 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=729, id=942,   
AmbiguousNMRDistance HD1 92 HB2 52 BOUNDED 1.75 3.922 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=731, id=944,   
AmbiguousNMRDistance HB2 29 HG2 45 BOUNDED 1.832 4.352 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=743, id=949,  
AmbiguousNMRDistance HA 21 HA 50 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=758, id=959,
AmbiguousNMRDistance H 20 HA 21 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=761, id=961,
AmbiguousNMRDistance HE 19 HB1 18 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=764, id=964,
AmbiguousNMRDistance HE 19 HA 16 BOUNDED 1.748 3.914 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=767, id=967,
AmbiguousNMRDistance HE3 19 HD 7 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=768, id=968,
AmbiguousNMRDistance HB2 1 HA 3 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=770, id=970,
AmbiguousNMRDistance HD1 77 HG11 78 BOUNDED 1.756 3.948 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=786, id=975,
AmbiguousNMRDistance HD2 66 HG 77 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=792, id=979,
AmbiguousNMRDistance HD2 66 HA 56 BOUNDED 1.83 4.332 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=793, id=980,
AmbiguousNMRDistance HD2 66 HB2 54 BOUNDED 1.854 4.488 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=794, id=981,
AmbiguousNMRDistance HB2 64 HA 65 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=796, id=982,
AmbiguousNMRDistance HG2 90 H 89 BOUNDED 1.759 3.967 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=798, id=983,
AmbiguousNMRDistance HG21 45 HD 54 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=799, id=984,
AmbiguousNMRDistance HG21 45 HE 54 BOUNDED 1.776 4.044 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=800, id=985,
AmbiguousNMRDistance H 95 HG2 45 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=801, id=986,
AmbiguousNMRDistance HG2 69 HA 70 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=802, id=987,
AmbiguousNMRDistance HG2 45 HA 51 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=803, id=988,
AmbiguousNMRDistance HG1 69 H 70 BOUNDED 1.805 4.197 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=804, id=989,
AmbiguousNMRDistance HG1 69 HD1 67 BOUNDED 1.791 4.125 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=805, id=990,
AmbiguousNMRDistance HD2 94 HE2 54 BOUNDED 1.802 4.18 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=806, id=991,
AmbiguousNMRDistance HA 41 HB2 40 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=813, id=997,
AmbiguousNMRDistance H 70 HA 69 BOUNDED 1.555 3.169 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=816, id=1000,
AmbiguousNMRDistance HG1 3 HD2 5 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=829, id=1010,
AmbiguousNMRDistance HD2 12 HA 11 BOUNDED 1.288 2.44 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=857, id=1026,
AmbiguousNMRDistance HB 11 HD2 12 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=861, id=1027,
AmbiguousNMRDistance HB 11 HD1 12 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=862, id=1028,
AmbiguousNMRDistance HA 11 HD1 30 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=865, id=1031,
AmbiguousNMRDistance HG2 12 HA 11 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=881, id=1043,
AmbiguousNMRDistance HA 13 HG1 17 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=882, id=1044,
AmbiguousNMRDistance H 16 HA 13 BOUNDED 1.845 4.429 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=884, id=1046,
AmbiguousNMRDistance HA 13 H 15 BOUNDED 1.857 4.505 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=885, id=1047,
AmbiguousNMRDistance HD2 13 HB 16 BOUNDED 1.773 6.035 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=895, id=1056, +2
AmbiguousNMRDistance HG1 13 HB2 53 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=921, id=1074,
AmbiguousNMRDistance HG2 17 HG1 13 BOUNDED 1.667 3.571 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=922, id=1075,
AmbiguousNMRDistance HG1 13 HB2 30 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=923, id=1076,
AmbiguousNMRDistance HG1 13 HB 16 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=926, id=1079,
AmbiguousNMRDistance HG1 13 HD1 30 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=928, id=1081,
AmbiguousNMRDistance HB1 16 HD2 30 BOUNDED 1.715 3.765 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=934, id=1083,
AmbiguousNMRDistance H 92 HA 91 BOUNDED 1.655 3.523 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=982, id=1112,
AmbiguousNMRDistance HB1 54 HB1 43 BOUNDED 1.677 3.609 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1015, id=1132,
AmbiguousNMRDistance HG2 23 HB 28 BOUNDED 1.769 4.009 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1022, id=1136, 
AmbiguousNMRDistance HB 51 HD1 20 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1024, id=1138,
AmbiguousNMRDistance HG1 23 HD2 20 BOUNDED 1.816 4.258 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1031, id=1142,
AmbiguousNMRDistance H 53 HA 52 BOUNDED 1.534 3.106 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1035, id=1144,
AmbiguousNMRDistance HA 31 HA 43 BOUNDED 1.724 3.804 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1044, id=1149,
AmbiguousNMRDistance HG12 31 HG 30 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1045, id=1150,
AmbiguousNMRDistance HA 35 HA 36 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1059, id=1159,
AmbiguousNMRDistance HD2 43 HA 54 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1074, id=1169,
AmbiguousNMRDistance HG11 45 HD1 20 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1087, id=1177,
AmbiguousNMRDistance HG23 92 HG1 45 BOUNDED 1.542 3.128 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1088, id=1178,
AmbiguousNMRDistance HD11 74 HG2 56 BOUNDED 1.75 3.922 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1089, id=1179,
AmbiguousNMRDistance H 51 HA 50 BOUNDED 1.514 3.042 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1106, id=1188,
AmbiguousNMRDistance HA 17 HG1 51 BOUNDED 1.667 3.567 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1112, id=1194,
AmbiguousNMRDistance HG21 56 HD1 43 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1131, id=1207,  
AmbiguousNMRDistance HB1 55 HD2 57 BOUNDED 1.734 3.852 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1148, id=1214,
AmbiguousNMRDistance HD2 57 HB2 55 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1150, id=1216,
AmbiguousNMRDistance HG1 51 HB2 46 BOUNDED 1.563 5.197 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1153, id=1219, viol 1.66A +2A
AmbiguousNMRDistance HG1 70 HD1 77 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1158, id=1222,  
AmbiguousNMRDistance H 63 HB 61 BOUNDED 1.815 4.255 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1164, id=1226,
AmbiguousNMRDistance HD1 55 HA 54 BOUNDED 1.864 6.054 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1175, id=1233, +1.5
AmbiguousNMRDistance HD2 94 HG 43 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1208, id=1247,   
AmbiguousNMRDistance HA 79 HA 83 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1212, id=1250,
AmbiguousNMRDistance HD22 94 HD1 77 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1221, id=1256,   
AmbiguousNMRDistance HA 26 HA 25 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Cnoesy, no=1239, id=1269,
AmbiguousNMRDistance H 10 HA1 9 BOUNDED 1.872 4.606 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=1, id=0,
AmbiguousNMRDistance H 10 HA2 9 BOUNDED 1.904 4.84 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=2, id=1,
AmbiguousNMRDistance H 11 HG2 32 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=5, id=4,
AmbiguousNMRDistance H 11 HB2 32 BOUNDED 1.871 4.597 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=7, id=6,
AmbiguousNMRDistance H 14 HB2 12 BOUNDED 1.868 4.574 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=10, id=9,
AmbiguousNMRDistance H 14 HG1 12 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=11, id=10,
AmbiguousNMRDistance H 14 HB1 13 BOUNDED 1.75 3.924 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=12, id=11,
AmbiguousNMRDistance H 15 HB2 12 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=15, id=14,
AmbiguousNMRDistance H 15 HG2 12 BOUNDED 1.822 4.29 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=16, id=15,
AmbiguousNMRDistance HE 64 HB1 33 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=18, id=17,
AmbiguousNMRDistance H 16 HB1 13 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=28, id=23,
AmbiguousNMRDistance H 16 HB 14 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=29, id=24,
AmbiguousNMRDistance H 16 HA 15 BOUNDED 1.821 4.281 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=33, id=25,
AmbiguousNMRDistance H 17 HB 16 BOUNDED 1.719 3.783 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=35, id=27,
AmbiguousNMRDistance H 17 HA 14 BOUNDED 1.857 4.505 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=38, id=30,
AmbiguousNMRDistance H 18 HA 15 BOUNDED 1.757 3.953 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=40, id=32,
AmbiguousNMRDistance H 19 HB2 18 BOUNDED 1.614 3.374 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=47, id=37,
AmbiguousNMRDistance H 27 HA 26 BOUNDED 1.648 3.498 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=58, id=43,
AmbiguousNMRDistance H 27 HG2 45 BOUNDED 1.855 4.487 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=60, id=45,
AmbiguousNMRDistance H 27 H 28 BOUNDED 1.813 4.241 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=62, id=46,
AmbiguousNMRDistance H 29 HB 28 BOUNDED 1.799 4.163 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=65, id=48,
AmbiguousNMRDistance H 30 HB1 29 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=66, id=49,
AmbiguousNMRDistance H 32 HG2 31 BOUNDED 1.771 4.019 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=73, id=54,
AmbiguousNMRDistance H 32 HA 31 BOUNDED 1.701 3.707 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=75, id=56,
AmbiguousNMRDistance H 34 HG1 33 BOUNDED 1.871 4.597 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=76, id=57,
AmbiguousNMRDistance H 34 HA 35 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=77, id=58,
AmbiguousNMRDistance H 40 HA 38 BOUNDED 1.867 4.575 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=84, id=63,
AmbiguousNMRDistance H 40 HA2 39 BOUNDED 1.877 4.639 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=87, id=66,
AmbiguousNMRDistance H 43 HG2 56 BOUNDED 1.845 4.429 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=102, id=72,
AmbiguousNMRDistance H 44 HA 31 BOUNDED 1.858 4.516 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=103, id=73,
AmbiguousNMRDistance H 44 HD2 43 BOUNDED 1.768 4.008 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=105, id=75,
AmbiguousNMRDistance H 45 HG1 51 BOUNDED 1.721 3.791 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=106, id=76,
AmbiguousNMRDistance H 45 HB1 44 BOUNDED 1.877 4.641 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=109, id=79,
AmbiguousNMRDistance H 46 HB2 20 BOUNDED 1.844 4.422 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=117, id=85,
AmbiguousNMRDistance H 46 HG1 51 BOUNDED 1.728 3.822 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=118, id=86,
AmbiguousNMRDistance H 46 HD1 20 BOUNDED 1.837 4.379 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=119, id=87, 
AmbiguousNMRDistance H 51 HB2 50 BOUNDED 1.607 3.347 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=130, id=98,
AmbiguousNMRDistance H 52 HG1 45 BOUNDED 1.789 4.115 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=132, id=100,
AmbiguousNMRDistance H 53 HB2 52 BOUNDED 1.85 4.462 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=134, id=102,
AmbiguousNMRDistance H 53 HB1 52 BOUNDED 1.789 4.113 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=136, id=104,
AmbiguousNMRDistance H 56 HB1 55 BOUNDED 1.828 4.322 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=143, id=110,
AmbiguousNMRDistance H 56 HA 42 BOUNDED 1.784 4.088 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=146, id=113,
AmbiguousNMRDistance H 57 HA 56 BOUNDED 1.656 3.524 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=147, id=114,
AmbiguousNMRDistance H 57 HG1 56 BOUNDED 1.833 4.359 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=149, id=116,
AmbiguousNMRDistance H 58 HD1 57 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=153, id=120,
AmbiguousNMRDistance H 62 HA 61 BOUNDED 1.829 4.331 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=162, id=126,
AmbiguousNMRDistance H 62 HB 61 BOUNDED 1.783 4.081 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=165, id=129,
AmbiguousNMRDistance H 64 HA 63 BOUNDED 1.742 3.886 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=168, id=132,
AmbiguousNMRDistance H 65 HG1 56 BOUNDED 1.846 4.436 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=171, id=135,
AmbiguousNMRDistance H 33 HB1 32 BOUNDED 1.865 4.557 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=174, id=137,
AmbiguousNMRDistance H 33 HB2 32 BOUNDED 1.801 4.175 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=176, id=139,
AmbiguousNMRDistance H 73 HB1 76 BOUNDED 1.842 4.41 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=184, id=144,
AmbiguousNMRDistance H 73 HA 77 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=185, id=145,
AmbiguousNMRDistance H 76 HA 77 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=187, id=147,
AmbiguousNMRDistance H 80 HB2 79 BOUNDED 1.71 3.744 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=188, id=148,
AmbiguousNMRDistance H 8 HD 7 BOUNDED 1.859 4.515 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=195, id=152,
AmbiguousNMRDistance H 8 HA 7 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=197, id=153,
AmbiguousNMRDistance H 9 HG2 11 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=201, id=155,
AmbiguousNMRDistance H 11 HA 32 BOUNDED 1.877 4.643 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=202, id=156,
AmbiguousNMRDistance H 30 HA 45 BOUNDED 1.863 4.547 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=222, id=170,
AmbiguousNMRDistance H 30 HD2 43 BOUNDED 1.78 4.064 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=226, id=174,
AmbiguousNMRDistance H 30 HD1 20 BOUNDED 1.782 4.076 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=227, id=175,
AmbiguousNMRDistance H 35 HG2 38 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=234, id=180,
AmbiguousNMRDistance H 37 HA 35 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=235, id=181,
AmbiguousNMRDistance H 37 HB2 36 BOUNDED 1.884 4.688 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=236, id=182,
AmbiguousNMRDistance H 40 HB 37 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=242, id=187,
AmbiguousNMRDistance H 41 HA 40 BOUNDED 1.68 3.622 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=246, id=190,
AmbiguousNMRDistance H 42 HA 33 BOUNDED 1.838 4.386 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=248, id=192,
AmbiguousNMRDistance H 42 HB2 41 BOUNDED 1.865 4.553 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=251, id=195,
AmbiguousNMRDistance H 42 HG1 32 BOUNDED 1.902 4.826 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=252, id=196,
AmbiguousNMRDistance H 42 HG2 31 BOUNDED 1.933 5.103 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=253, id=197, 
AmbiguousNMRDistance H 44 HG 43 BOUNDED 1.89 4.734 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=254, id=198,
AmbiguousNMRDistance H 45 HB2 52 BOUNDED 1.895 4.773 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=257, id=201,
AmbiguousNMRDistance H 45 H 52 BOUNDED 1.838 4.386 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=258, id=202,
AmbiguousNMRDistance H 46 HA 51 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=259, id=203,
AmbiguousNMRDistance H 47 HA 46 BOUNDED 1.562 3.194 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=260, id=204,
AmbiguousNMRDistance H 50 HA2 48 BOUNDED 1.905 4.855 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=262, id=206,
AmbiguousNMRDistance H 53 HD1 92 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=275, id=219,
AmbiguousNMRDistance H 57 HA 66 BOUNDED 1.886 4.702 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=284, id=226,
AmbiguousNMRDistance H 58 HB2 57 BOUNDED 1.867 4.571 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=288, id=230,
AmbiguousNMRDistance H 59 HE 65 BOUNDED 1.91 4.896 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=289, id=231,
AmbiguousNMRDistance H 59 HB2 58 BOUNDED 1.924 5.022 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=293, id=233,
AmbiguousNMRDistance H 59 HB1 58 BOUNDED 1.869 4.589 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=295, id=235,
AmbiguousNMRDistance H 61 HA1 60 BOUNDED 1.876 4.63 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=296, id=236,
AmbiguousNMRDistance H 62 HA2 60 BOUNDED 1.927 5.041 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=298, id=237,
AmbiguousNMRDistance H 63 HA1 62 BOUNDED 1.915 4.931 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=300, id=239,
AmbiguousNMRDistance H 63 H 62 BOUNDED 1.761 3.977 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=302, id=240,
AmbiguousNMRDistance HE1 67 HA 66 BOUNDED 1.8 6.7 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=308, id=245, +0.2A
AmbiguousNMRDistance H 33 H 11 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=311, id=248,
AmbiguousNMRDistance H 71 HB2 70 BOUNDED 1.936 5.128 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=312, id=249,
AmbiguousNMRDistance H 73 HB1 71 BOUNDED 1.907 4.867 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=320, id=254,
AmbiguousNMRDistance H 73 HB2 71 BOUNDED 1.822 4.292 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=321, id=255,
AmbiguousNMRDistance H 76 HB2 75 BOUNDED 1.877 4.635 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=325, id=258,
AmbiguousNMRDistance H 77 HA 78 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=329, id=262,
AmbiguousNMRDistance H 77 HB2 79 BOUNDED 1.934 5.108 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=330, id=263,
AmbiguousNMRDistance H 80 H 76 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=333, id=266,
AmbiguousNMRDistance H 84 HA 82 BOUNDED 1.849 4.451 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=341, id=272,
AmbiguousNMRDistance H 87 HB 86 BOUNDED 1.909 4.889 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=346, id=277,
AmbiguousNMRDistance H 87 HG1 86 BOUNDED 1.823 4.299 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=347, id=278,
AmbiguousNMRDistance H 87 HA 91 BOUNDED 1.897 4.791 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=349, id=279,
AmbiguousNMRDistance H 96 HB1 95 BOUNDED 1.753 3.937 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=360, id=287,
AmbiguousNMRDistance H 93 HG2 92 BOUNDED 1.843 4.417 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=361, id=288,
AmbiguousNMRDistance H 14 HG1 13 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=366, id=293,
AmbiguousNMRDistance H 15 HG11 11 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=368, id=295,
AmbiguousNMRDistance H 16 HG11 11 BOUNDED 1.887 4.709 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=369, id=296,
AmbiguousNMRDistance H 16 HD1 11 BOUNDED 1.836 4.376 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=370, id=297,
AmbiguousNMRDistance H 17 HG1 51 BOUNDED 1.921 4.995 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=375, id=302,
AmbiguousNMRDistance H 19 H 18 BOUNDED 1.726 3.812 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=378, id=304,
AmbiguousNMRDistance H 20 HG2 51 BOUNDED 1.93 5.074 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=380, id=306,
AmbiguousNMRDistance H 23 H 22 BOUNDED 1.883 4.685 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=382, id=308,
AmbiguousNMRDistance H 27 HB 28 BOUNDED 1.917 4.953 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=383, id=309, 
AmbiguousNMRDistance H 34 HA 40 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=385, id=311,
AmbiguousNMRDistance H 6 H 4 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=392, id=313,
AmbiguousNMRDistance H 94 HB1 93 BOUNDED 1.901 4.819 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=401, id=319,
AmbiguousNMRDistance H 16 H 15 BOUNDED 1.642 3.472 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=404, id=321,
AmbiguousNMRDistance H 15 H 14 BOUNDED 1.83 4.334 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=405, id=322,
AmbiguousNMRDistance H 17 H 16 BOUNDED 1.715 3.763 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=406, id=323,
AmbiguousNMRDistance H 25 HB 28 BOUNDED 1.875 4.629 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=409, id=326,    
AmbiguousNMRDistance H 26 HG1 46 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=411, id=328,
AmbiguousNMRDistance H 26 HB2 25 BOUNDED 1.8 4.666 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=413, id=330, +0.5
AmbiguousNMRDistance H 34 HB1 33 BOUNDED 1.863 4.545 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=415, id=331,
AmbiguousNMRDistance H 39 H 40 BOUNDED 1.807 4.207 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=416, id=332,
AmbiguousNMRDistance H 61 H 63 BOUNDED 1.894 4.768 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=419, id=335,
AmbiguousNMRDistance H 94 HB 45 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=429, id=342,
AmbiguousNMRDistance H 94 HA1 27 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=430, id=343,
AmbiguousNMRDistance H 95 HD2 94 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=435, id=348,    
AmbiguousNMRDistance H 95 HA2 27 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=438, id=349,
AmbiguousNMRDistance H 95 HA 94 BOUNDED 1.649 3.499 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=439, id=350,
AmbiguousNMRDistance H 96 HA 95 BOUNDED 1.582 3.262 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=441, id=352,
AmbiguousNMRDistance H 2 HA 1 BOUNDED 1.89 4.734 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=445, id=354,
AmbiguousNMRDistance H 4 HA 3 BOUNDED 1.869 4.581 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=449, id=357,
AmbiguousNMRDistance H 31 HA 32 BOUNDED 1.8 6.5 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=455, id=362,
AmbiguousNMRDistance H 43 H 54 BOUNDED 1.899 4.803 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=458, id=363,
AmbiguousNMRDistance H 51 H 50 BOUNDED 1.901 4.821 0.3 NOE; rawdata from unambig ! spec=Nnoesy, no=461, id=366,
AmbiguousNMRDistance HD1 29 HB2 30 BOUNDED 1.8 6 0.3 NOE; rawdata from ambig ! spec=AroNoesy, no=7, id=1276, viol ok
AmbiguousNMRDistance HD1 29 HB1 30 BOUNDED 1.8 6 0.3 NOE; rawdata from ambig    ok
AmbiguousNMRDistance HD2 54 HG21 56 BOUNDED 1.8 6 0.3 NOE; rawdata from ambig ! spec=AroNoesy, no=14, id=1277, viol
AmbiguousNMRDistance HD2 54 HG22 56 BOUNDED 1.8 6 0.3 NOE; rawdata from ambig 0.2