NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
627535 | 5vto | 30295 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 1: noeA_38.tbl !GLY14 assign ( resid 14 and name hn ) ( resid 15 and name hn ) 2.70 0.90 0.00 ! assign ( resid 14 and name hn ) ( resid 55 and name hd2# ) 5.00 3.20 0.50 ! assign ((resid 14 and name ha1 ) or ( resid 14 and name ha2 )) ( resid 15 and name hg2# ) 3.50 1.70 0.80 !15ccnoe11/26 !VAL15 assign ( resid 15 and name ha ) ( resid 16 and name hn ) 2.70 0.90 0.00 ! assign ( resid 15 and name hn ) ( resid 15 and name hb ) 2.70 0.90 0.00 ! assign ( resid 15 and name ha ) ( resid 17 and name hn ) 3.50 1.70 0.00 !can be relaxed assign ( resid 15 and name hn ) ( resid 55 and name hd2# ) 5.00 3.20 0.50 ! assign ( resid 15 and name ha ) ((resid 88 and name hb1 ) or ( resid 88 and name hb2 )) 5.00 3.20 0.30 !15ccnoe12/26 assign ( resid 15 and name hb ) ( resid 55 and name hd2# ) 3.50 1.70 0.50 !55ccnoe2/2 assign ( resid 15 and name hg1# ) ( resid 17 and name hn ) 2.70 0.90 0.50 ! assign ( resid 15 and name hg1# ) ( resid 17 and name ha ) 5.00 3.20 0.50 !ccnoe12/26 assign ( resid 15 and name hg1# ) ((resid 50 and name hd1 ) or ( resid 50 and name hd2 )) 5.00 3.20 0.80 !hhcnoe12/26 assign ( resid 15 and name hg1# ) ((resid 50 and name he1 ) or ( resid 50 and name he2 )) 5.00 3.20 0.80 !hhcnoe12/26 assign ( resid 15 and name hg1# ) ( resid 50 and name hz ) 5.00 3.20 0.50 !hhcnoe12/26 assign ( resid 15 and name hg2# ) ((resid 50 and name hd1 ) or ( resid 50 and name hd2 )) 5.00 3.20 0.80 !hhcnoe12/26 assign ( resid 15 and name hg2# ) ((resid 50 and name he1 ) or ( resid 50 and name he2 )) 5.00 3.20 0.80 !hhcnoe12/26 assign ( resid 15 and name hg2# ) ( resid 50 and name hz ) 5.00 3.20 0.50 !hhcnoe11/26 assign ( resid 15 and name hg1# ) ( resid 55 and name hd2# ) 3.50 1.70 1.00 !hhcnoe12/26 assign ( resid 15 and name hg2# ) ( resid 55 and name hd2# ) 3.50 1.70 1.00 !55ccnoe2/2 assign ( resid 15 and name hg1# ) ((resid 88 and name hb1 ) or ( resid 88 and name hb2 )) 3.50 1.70 0.80 !ccnoe12/26 assign ( resid 15 and name hg1# ) ( resid 89 and name hg2# ) 2.70 0.90 1.00 !89ccnoe2/2 assign ( resid 15 and name hg1# ) ( resid 160 and name hg2# ) 3.50 1.70 1.00 !ccnoe12/26 assign ( resid 15 and name hg1# ) ( resid 160 and name hd1# ) 5.00 3.20 1.00 !ccnoe12/26 assign ( resid 15 and name hg2# ) ( resid 161 and name ha ) 3.50 1.70 0.50 !ccnoe11/26 assign ( resid 15 and name hg2# ) ((resid 161 and name hd1 ) or ( resid 161 and name hd2 )) 3.50 1.70 0.80 !ccnoe11/26 assign ( resid 15 and name hg1# ) ( resid 164 and name hg2# ) 3.50 1.70 1.00 !15ccnoe12/26 !ARG16 assign ( resid 16 and name hn ) ( resid 17 and name hn ) 2.70 0.90 0.00 ! assign ( resid 16 and name ha ) ( resid 17 and name hn ) 3.50 1.70 0.00 ! assign ( resid 16 and name hn ) ((resid 88 and name hb1 ) or ( resid 88 and name hb2 )) 5.00 3.20 0.30 ! assign ( resid 16 and name ha ) ( resid 55 and name hd2# ) 5.00 3.20 0.50 !hhcnoe12/26 assign ( resid 16 and name ha ) ( resid 56 and name hn ) 5.00 3.20 0.00 ! assign ((resid 16 and name hd1 ) or ( resid 16 and name hd2 )) ( resid 55 and name hd2# ) 3.50 1.70 0.80 !hh/ccnoe2/2 !SER17 assign ( resid 17 and name ha ) ( resid 18 and name hn ) 2.70 0.90 0.00 ! assign ( resid 17 and name hn ) ( resid 89 and name hn ) 5.00 3.20 0.00 ! assign ( resid 17 and name hn ) ( resid 55 and name hd2# ) 5.00 3.20 0.50 !relaxed12/26 assign ( resid 17 and name hn ) ((resid 88 and name hb1 ) or ( resid 88 and name hb2 )) 3.50 1.70 0.30 ! assign ( resid 17 and name ha ) ( resid 55 and name hd2# ) 5.00 3.20 0.50 !ccnoe2/2 16/16ca ov assign ( resid 17 and name ha ) ( resid 55 and name hd1# ) 5.00 3.20 0.50 !ccnoe2/2 assign ( resid 17 and name ha ) ( resid 56 and name hn ) 3.50 1.70 0.00 ! assign ( resid 17 and name ha ) ((resid 56 and name hb1 ) or ( resid 56 and name hb2 )) 3.50 1.70 0.30 !hhcnoe,12/26 assign ( resid 17 and name ha ) ( resid 57 and name hg2# ) 5.00 3.20 0.50 !ccne12/26 assign ((resid 17 and name hb1 ) or ( resid 17 and name hb2 )) ( resid 57 and name hg1# ) 5.00 3.20 0.80 !ccnoe12/26,can be relaxed assign ((resid 17 and name hb1 ) or ( resid 17 and name hb2 )) ( resid 57 and name hg2# ) 5.00 3.20 0.80 !ccnoe12/26,can be relaxed assign ( resid 17 and name ha ) ((resid 58 and name hd1 ) or ( resid 58 and name hd2 ) or ( resid 58 and name he1 ) or ( resid 58 and name he2 ) or ( resid 58 and name hz )) 5.00 3.20 1.50 !hhcnoe12/26 assign ((resid 17 and name hb1 ) or ( resid 17 and name hb2 )) ( resid 87 and name ha ) 5.00 3.20 0.30 !87hhcnoe12/26 assign ((resid 17 and name hb1 ) or ( resid 17 and name hb2 )) ( resid 87 and name hb# ) 5.00 3.20 0.80 !87hhcnoe12/26 !VAL18 assign ( resid 18 and name hn ) ( resid 55 and name hd2# ) 5.00 3.20 0.50 !12/26 assign ( resid 18 and name hn ) ( resid 55 and name ha ) 3.50 1.70 0.00 !12/26,can be relaxed assign ( resid 18 and name hn ) ( resid 56 and name hn ) 3.50 1.70 0.00 ! assign ( resid 18 and name hn ) ( resid 57 and name ha ) 5.00 3.20 0.00 ! assign ( resid 18 and name hn ) ( resid 57 and name hg2# ) 5.00 3.20 0.50 ! assign ( resid 18 and name hn ) ((resid 58 and name hd1 ) or ( resid 58 and name hd2 ) or ( resid 58 and name he1 ) or ( resid 58 and name he2 ) or ( resid 58 and name hz )) 3.50 1.70 1.50 ! assign ( resid 18 and name hn ) ( resid 87 and name hb# ) 5.00 3.20 0.50 !hhnnoe3/2 assign ( resid 18 and name ha ) ( resid 19 and name hn ) 2.70 0.90 0.00 ! assign ( resid 18 and name ha ) ( resid 57 and name ha ) 5.00 3.20 0.00 !57hhcnoe assign ( resid 18 and name ha ) ( resid 87 and name hb# ) 3.50 1.70 0.50 !2/17 assign ( resid 18 and name ha ) ( resid 88 and name hn ) 5.00 3.20 0.00 !hhnoe12/26 assign ( resid 18 and name ha ) ( resid 89 and name hn ) 3.50 1.70 0.00 ! assign ( resid 18 and name ha ) ( resid 89 and name hg1# ) 3.50 1.70 0.50 !ccnoe assign ( resid 18 and name hb ) ( resid 50 and name ha ) 5.00 3.20 0.00 !ccnoe assign ( resid 18 and name hb ) ( resid 57 and name ha ) 5.00 3.20 0.00 !18hhcnoe2/2 assign ( resid 18 and name hb ) ( resid 57 and name hg1# ) 5.00 3.20 0.50 !57ccnoe2/2 assign ( resid 18 and name hb ) ( resid 57 and name hg2# ) 5.00 3.20 0.50 ! assign ( resid 18 and name hb ) ( resid 89 and name hg1# ) 3.50 1.70 0.50 !ccnoe assign ( resid 18 and name hg1# ) ((resid 50 and name hb1 ) or ( resid 50 and name hb2 )) 5.00 3.20 0.80 !ccnoe12/26 assign ( resid 18 and name hg2# ) ((resid 50 and name hb1 ) or ( resid 50 and name hb2 )) 5.00 3.20 0.80 !ccnoe12/26 assign ( resid 18 and name hg1# ) ((resid 50 and name he1 ) or ( resid 50 and name he2 )) 3.50 1.70 0.80 ! assign ( resid 18 and name hg1# ) ((resid 50 and name hd1 ) or ( resid 50 and name hd2 )) 3.50 1.70 0.80 ! assign ( resid 18 and name hg1# ) ( resid 50 and name hz ) 5.00 3.20 0.50 ! assign ( resid 18 and name hg2# ) ((resid 50 and name he1 ) or ( resid 50 and name he2 )) 3.50 1.70 0.80 ! assign ( resid 18 and name hg2# ) ((resid 50 and name hd1 ) or ( resid 50 and name hd2 )) 3.50 1.70 0.80 ! assign ( resid 18 and name hg2# ) ( resid 50 and name hz ) 5.00 3.20 0.50 ! assign ( resid 18 and name hg1# ) ( resid 57 and name ha ) 3.50 1.70 0.50 !ccnoe12/26 assign ( resid 18 and name hg2# ) ( resid 89 and name hn ) 5.00 3.20 0.50 ! assign ( resid 18 and name hg1# ) ( resid 91 and name hn ) 5.00 3.20 0.50 ! assign ( resid 18 and name hg1# ) ((resid 20 and name hb1 ) or ( resid 20 and name hb2 )) 3.50 1.70 0.80 !ccnoe12/26 assign ( resid 18 and name hg1# ) ( resid 20 and name hd2# ) 3.50 1.70 1.00 !ccnoe12/26 assign ( resid 18 and name hg2# ) ( resid 20 and name hd2# ) 5.00 3.20 1.00 !ccnoe12/26 assign ( resid 18 and name hg2# ) ( resid 55 and name ha ) 5.00 3.20 0.50 !55hhcnoe12/26 assign ( resid 18 and name hg2# ) ((resid 55 and name hb1 ) or ( resid 55 and name hb2 )) 3.50 1.70 0.80 !ccnoe12/26 assign ( resid 18 and name hg2# ) ( resid 55 and name hd1# ) 3.50 1.70 1.00 !ccnoe12/26 assign ( resid 18 and name hg2# ) ( resid 55 and name hd2# ) 3.50 1.70 1.00 !ccnoe12/26 assign ( resid 18 and name hg1# ) ( resid 55 and name hd1# ) 5.00 3.20 1.00 !12/26 assign ( resid 18 and name hg1# ) ( resid 55 and name hd2# ) 5.00 3.20 1.00 !12/26 assign ( resid 18 and name hg1# ) ( resid 57 and name hg1# ) 3.50 1.70 1.00 !12/26 assign ( resid 18 and name hg1# ) ( resid 57 and name hg2# ) 3.50 1.70 1.00 !12/26 assign ( resid 18 and name hg2# ) ( resid 57 and name hg2# ) 3.50 1.70 1.00 !12/26 assign ( resid 18 and name hg2# ) ( resid 89 and name hg1# ) 2.70 0.90 1.00 !ccnoe,hhnoe12/26 assign ( resid 18 and name hg2# ) ( resid 89 and name hg2# ) 3.50 1.70 1.00 !ccnoe12/26 assign ( resid 18 and name hg1# ) ( resid 89 and name hg1# ) 3.50 1.70 1.00 !12/26,hhcnoe assign ( resid 18 and name hg1# ) ( resid 91 and name hn ) 5.00 3.20 0.50 !12/26,hhnnoe assign ( resid 18 and name hg1# ) ( resid 91 and name hg2# ) 3.50 1.70 1.00 !12/26,91hhcnoe assign ( resid 18 and name hg2# ) ( resid 91 and name hg2# ) 5.00 3.20 1.00 !12/26,91hhcnoe assign ( resid 18 and name hg1# ) ( resid 160 and name hd1# ) 6.00 4.20 1.00 !hhcnoe assign ( resid 18 and name hg1# ) ( resid 160 and name hg2# ) 6.00 4.20 1.00 !ccnoe assign ( resid 18 and name hg2# ) ( resid 160 and name hg2# ) 5.00 3.20 1.00 !ccnoe assign ( resid 18 and name hg2# ) ( resid 160 and name hd1# ) 5.00 3.20 1.00 !hhcnoe !PHE19 assign ( resid 19 and name hn ) ( resid 89 and name hn ) 3.50 1.70 0.00 !vw system assign ( resid 19 and name hn ) ((resid 89 and name hg1# ) or ( resid 89 and name hg2# )) 5.00 3.20 0.50 ! assign ( resid 19 and name hn ) ( resid 87 and name hb# ) 5.00 3.20 0.50 !19hhnnoe12/26 assign ((resid 19 and name hd1 ) or ( resid 19 and name hd2 ) or ( resid 19 and name he1 ) or ( resid 19 and name he2 ) or ( resid 19 and name hz )) ( resid 21 and name hb# ) 2.70 0.90 2.00 !3/15 assign ((resid 19 and name hd1 ) or ( resid 19 and name hd2 )) ( resid 80 and name ha ) 5.00 3.20 0.30 !2/12 assign ((resid 19 and name hd1 ) or ( resid 19 and name hd2 )) ( resid 84 and name ha ) 5.00 3.20 0.30 !2/13 assign ((resid 19 and name hd1 ) or ( resid 19 and name hd2 )) ( resid 84 and name hd1# ) 3.50 1.70 0.80 !2/13,ov with 108 assign ((resid 19 and name hd1 ) or ( resid 19 and name hd2 ) or ( resid 19 and name he1 ) or ( resid 19 and name he2 ) or ( resid 19 and name hz )) ( resid 92 and name hb# ) 5.00 3.20 2.00 !8/13 assign ((resid 19 and name hd1 ) or ( resid 19 and name hd2 ) or ( resid 19 and name he1 ) or ( resid 19 and name he2 ) or ( resid 19 and name hz )) ( resid 102 and name hg2# ) 5.00 3.20 2.00 !8/13 !LEU20 assign ( resid 20 and name ha ) ( resid 21 and name hn ) 2.70 0.90 0.00 ! assign ( resid 20 and name ha ) ( resid 91 and name hn ) 5.00 3.20 0.00 !hhcnoe12/26 assign ((resid 20 and name hb1 ) or ( resid 20 and name hb2 )) ( resid 57 and name hg1# ) 5.00 3.20 0.80 !57ccnoe2/2 assign ( resid 20 and name hd1# ) ( resid 43 and name ha ) 5.00 3.20 0.50 !hhcnoe43 assign ( resid 20 and name hd2# ) ( resid 43 and name ha ) 5.00 3.20 0.50 !hhcnoe1/11 assign ( resid 20 and name hd2# ) ((resid 43 and name hd1 ) or ( resid 43 and name hd2 )) 3.50 1.70 0.80 !hhcnoe12/26 assign ( resid 20 and name hd2# ) ((resid 43 and name he1 ) or ( resid 43 and name he2 )) 5.00 3.20 0.80 !hhcnoe12/26 assign ( resid 20 and name hd1# ) ((resid 43 and name hd1 ) or ( resid 43 and name hd2 )) 3.50 1.70 0.80 !ov with 27, which sees 43ring assign ( resid 20 and name hd2# ) ((resid 43 and name he1 ) or ( resid 43 and name he2 )) 5.00 3.20 0.80 ! assign ( resid 20 and name hd1# ) ( resid 46 and name hd2# ) 5.00 3.20 1.00 !ccnoe12/26 assign ( resid 20 and name hd2# ) ( resid 46 and name hd2# ) 5.00 3.20 1.00 !ccnoe12/26 assign ( resid 20 and name hd2# ) ( resid 47 and name hd1# ) 5.00 3.20 1.00 !ccnoe12/26 assign ( resid 20 and name hd2# ) ( resid 57 and name hg1# ) 5.00 3.20 1.00 !ccnoe12/26 assign ( resid 20 and name hd1# ) ( resid 60 and name hb# ) 5.00 3.20 1.00 !ccnoe assign ( resid 20 and name hd2# ) ( resid 60 and name hb# ) 5.00 3.20 1.00 !ccnoe assign ( resid 20 and name hd1# ) ((resid 91 and name hg1# ) or ( resid 91 and name hg2# )) 3.50 1.70 1.00 !91ccnoe12/26 assign ( resid 20 and name hd2# ) ((resid 91 and name hg1# ) or ( resid 91 and name hg2# )) 5.00 3.20 1.00 !91ccnoe12/26 assign ( resid 20 and name hd1# ) ( resid 92 and name ha ) 5.00 3.20 0.50 !92hc 8/15 assign ( resid 20 and name hd1# ) ( resid 93 and name hd1# ) 5.00 3.20 1.00 !ccnoe12/26 !ALA21 assign ( resid 21 and name hn ) ( resid 92 and name ha ) 3.50 1.70 0.00 ! assign ( resid 21 and name hn ) ((resid 91 and name hg1# ) or ( resid 91 and name hg2# )) 5.00 3.20 0.50 ! assign ( resid 21 and name hn ) ( resid 92 and name hb# ) 5.00 3.20 0.50 ! assign ( resid 21 and name ha ) ( resid 22 and name hn ) 2.70 0.90 0.00 ! assign ( resid 21 and name ha ) ( resid 102 and name hg2# ) 3.50 1.70 0.50 ! assign ( resid 21 and name hb# ) ((resid 24 and name he1 ) or ( resid 24 and name he2 )) 5.00 3.20 0.80 !hc9/8 assign ( resid 21 and name hb# ) ( resid 60 and name ha ) 5.00 3.20 0.50 !21hc/cc10/3 assign ( resid 21 and name hb# ) ( resid 61 and name he1 ) 3.50 1.70 0.50 !hhcnoe3/17 assign ( resid 21 and name hb# ) ( resid 92 and name ha ) 3.50 1.70 0.50 !21cc,92hc 8/15 assign ( resid 21 and name hb# ) ( resid 92 and name hb# ) 3.50 1.70 1.00 !hhcnoe12/26 assign ( resid 21 and name hb# ) ( resid 93 and name hn ) 3.50 1.70 0.50 ! assign ( resid 21 and name hb# ) ((resid 90 and name he1 ) or ( resid 90 and name he2 )) 3.50 1.70 0.80 ! assign ( resid 21 and name hb# ) ( resid 102 and name ha ) 5.00 3.20 0.50 ! assign ( resid 21 and name hb# ) ( resid 102 and name hg2# ) 3.50 1.70 1.00 ! assign ( resid 21 and name hb# ) ( resid 106 and name hd1# ) 5.00 3.20 1.00 !maybe sd !GLY22 assign ((resid 22 and name ha1 ) or ( resid 22 and name ha2 )) ( resid 93 and name hn ) 3.50 1.70 0.30 !hhnoe1/11 assign ((resid 22 and name ha1 ) or ( resid 22 and name ha2 )) ( resid 93 and name hg2# ) 5.00 3.20 0.80 !ccnoe1/11 assign ((resid 22 and name ha1 ) or ( resid 22 and name ha2 )) ( resid 93 and name hd1# ) 5.00 3.20 0.80 !ccnoe1/11 assign ((resid 22 and name ha1 ) or ( resid 22 and name ha2 )) ( resid 102 and name hg2# ) 5.00 3.20 0.80 !ccnoe !PRO23 assign ((resid 23 and name hd1 ) or ( resid 23 and name hd2 )) ( resid 27 and name hd2# ) 5.00 3.20 0.80 !ccnoe9/8 assign ((resid 23 and name hd1 ) or ( resid 23 and name hd2 )) ( resid 93 and name hd1# ) 5.00 3.20 0.80 !ccnoe1/11 assign ((resid 23 and name hd1 ) or ( resid 23 and name hd2 )) ( resid 93 and name hg2# ) 5.00 3.20 0.80 !ccnoe1/11 !PHE24 assign ( resid 24 and name ha ) ( resid 28 and name hg2# ) 5.00 3.20 0.50 !ccnoe11/26 assign ( resid 24 and name ha ) ( resid 28 and name hg1# ) 5.00 3.20 0.50 !ccnoe11/26 assign ( resid 24 and name ha ) ( resid 70 and name hg1# ) 5.00 3.20 0.50 !hc/cc9/8,can be relaxed assign ( resid 24 and name ha ) ( resid 70 and name hg2# ) 3.50 1.70 0.50 !hc/cc/9/8 assign ((resid 24 and name hd1 ) or ( resid 24 and name hd2 )) ( resid 25 and name ha ) 3.50 1.70 0.30 !25ccnoe1/11 assign ((resid 24 and name hd1 ) or ( resid 24 and name hd2 )) ( resid 25 and name he# ) 3.50 1.70 0.80 !25ccnoe1/11 assign ((resid 24 and name he1 ) or ( resid 24 and name he2 )) ( resid 25 and name he# ) 5.00 3.20 0.80 !25ccnoe1/11 assign ((resid 24 and name hd1 ) or ( resid 24 and name hd2 )) ( resid 27 and name hd1# ) 3.50 1.70 0.80 !hhcnoe10/3 ov with 44md1 assign ((resid 24 and name he1 ) or ( resid 24 and name he2 )) ( resid 27 and name hd1# ) 5.00 3.20 0.80 !hhcnoe10/3 assign ((resid 24 and name hd1 ) or ( resid 24 and name hd2 )) ( resid 27 and name hd2# ) 5.00 3.20 0.80 !hhcnoe10/3 assign ((resid 24 and name he1 ) or ( resid 24 and name he2 )) ( resid 27 and name hd2# ) 5.00 3.20 0.80 !hhcnoe10/3 assign ((resid 24 and name hd1 ) or ( resid 24 and name hd2 )) ( resid 28 and name hg1# ) 3.50 1.70 0.80 ! assign ((resid 24 and name he1 ) or ( resid 24 and name he2 )) ( resid 28 and name hg1# ) 5.00 3.20 0.80 ! assign ((resid 24 and name hd1 ) or ( resid 24 and name hd2 )) ( resid 28 and name hg2# ) 5.00 3.20 0.80 !hc9/8 assign ((resid 24 and name he1 ) or ( resid 24 and name he2 )) ( resid 28 and name hg2# ) 5.00 3.20 0.80 !hc9/8 !PHE43 assign ((resid 43 and name hd1 ) or ( resid 43 and name hd2 )) ( resid 35 and name he# ) 3.50 1.70 0.80 ! assign ((resid 43 and name he1 ) or ( resid 43 and name he2 )) ( resid 35 and name he# ) 5.00 3.20 0.80 ! assign ( resid 43 and name hz ) ( resid 35 and name he# ) 5.00 3.20 0.50 ! assign ((resid 24 and name he1 ) or ( resid 24 and name he2 )) ( resid 65 and name hb# ) 3.50 1.70 0.80 !65hc10/3 assign ( resid 24 and name hz ) ( resid 65 and name hb# ) 3.50 1.70 0.50 !65hc10/3,can be relaxed assign ( resid 24 and name hz ) ((resid 69 and name hg1 ) or ( resid 69 and name hg2 )) 5.00 3.20 0.30 !69hc11/26 assign ((resid 24 and name he1 ) or ( resid 24 and name he2 )) ( resid 70 and name hg1# ) 5.00 3.20 0.80 !hhcnoe2/9 assign ((resid 24 and name he1 ) or ( resid 24 and name he2 )) ( resid 70 and name hg2# ) 5.00 3.20 0.80 ! assign ( resid 24 and name hz ) ( resid 70 and name hg1# ) 5.00 3.20 0.50 ! assign ( resid 24 and name hz ) ( resid 70 and name hg2# ) 5.00 3.20 0.50 ! assign ((resid 24 and name he1 ) or ( resid 24 and name he2 )) ( resid 71 and name hd1# ) 5.00 3.20 0.80 !hc9/8 assign ( resid 24 and name hz ) ( resid 71 and name hd1# ) 5.00 3.20 0.50 !hc9/8 !MET25 assign ( resid 25 and name ha ) ( resid 28 and name hg2# ) 3.50 1.70 0.50 !ccnoe11/26 assign ( resid 25 and name ha ) ( resid 28 and name hg1# ) 5.00 3.20 0.50 !ccnoe11/26 assign ( resid 25 and name he# ) ( resid 28 and name hg2# ) 5.00 3.20 1.00 !25ccnoe1/11 assign ( resid 25 and name he# ) ((resid 30 and name hg1 ) or ( resid 30 and name hg2 )) 5.00 3.20 0.80 !25cc9/8 assign ( resid 25 and name he# ) ( resid 70 and name hg1# ) 5.00 3.20 1.00 !25cc9/8 assign ( resid 25 and name he# ) ( resid 70 and name hg2# ) 5.00 3.20 1.00 !25cc9/8 assign ( resid 25 and name he# ) ((resid 100 and name hd1 ) or ( resid 100 and name hd2 )) 5.00 3.20 0.80 !25hcnoe10/3 assign ( resid 25 and name he# ) ((resid 330 and name he1 ) or ( resid 330 and name he2 )) 3.50 1.70 0.80 !hhcnoe2/9,can be relaxed assign ( resid 25 and name he# ) ((resid 330 and name hd1 ) or ( resid 330 and name hd2 )) 5.00 3.20 0.80 !hhcnoe2/9 !GLY26 assign ((resid 26 and name ha1 ) or ( resid 26 and name ha2 )) ( resid 27 and name hn ) 3.50 1.70 0.30 !1/11 assign ((resid 26 and name ha1 ) or ( resid 26 and name ha2 )) ( resid 28 and name hg1# ) 5.00 3.20 0.80 !ccnoe11/26 assign ((resid 26 and name ha1 ) or ( resid 26 and name ha2 )) ( resid 30 and name ha ) 5.00 3.20 0.30 !30cc/hc/9/8however not match 26from28mg !LEU27 assign ( resid 27 and name ha ) ( resid 28 and name hn ) 3.50 1.70 0.00 !1/11 assign ((resid 27 and name hb1 ) or ( resid 27 and name hb2 )) ( resid 35 and name he# ) 5.00 3.20 0.80 !ccnoe,1/11 assign ( resid 27 and name hd2# ) ( resid 28 and name hg2# ) 3.50 1.70 1.00 !28ccneo11/26 assign ( resid 27 and name hd1# ) ( resid 28 and name hg2# ) 5.00 3.20 1.00 !28ccnoe11/26 assign ( resid 27 and name hd1# ) ( resid 35 and name ha ) 5.00 3.20 0.50 !ccnoe10/3 assign ( resid 27 and name hd2# ) ( resid 35 and name ha ) 5.00 3.20 0.50 !ccnoe10/3stronger assign ( resid 27 and name hd1# ) ( resid 35 and name he# ) 3.50 1.70 1.00 !ccnoe,1/11 assign ( resid 27 and name hd1# ) ((resid 36 and name hb1 ) or ( resid 36 and name hb2 )) 3.50 1.70 0.80 !1/11,ccnoe assign ( resid 27 and name hd1# ) ((resid 36 and name hd1 ) or ( resid 36 and name hd2 )) 5.00 3.20 0.80 !1/11 assign ( resid 27 and name hd1# ) ((resid 39 and name hb1 ) or ( resid 39 and name hb2 )) 3.50 1.70 0.80 !ccnoe1/11 assign ( resid 27 and name hd1# ) ((resid 39 and name hg1 ) or ( resid 39 and name hg2 )) 5.00 3.20 0.80 !ccnoe1/11 assign ( resid 27 and name hd1# ) ((resid 69 and name hg1 ) or ( resid 69 and name hg2 )) 3.50 1.70 0.80 !ccnoe11/26,canberelaxed assign ( resid 27 and name hd2# ) ((resid 95 and name ha1 ) or ( resid 95 and name ha2 )) 5.00 3.20 0.80 !27ccnoe10/3 assign ( resid 27 and name hd2# ) ((resid 330 and name hd1 ) or ( resid 330 and name hd2 )) 5.00 3.20 0.80 !xf10/3 assign ( resid 27 and name hd2# ) ((resid 330 and name he1 ) or ( resid 330 and name he2 )) 3.50 1.70 0.80 !xf10/3 assign ( resid 27 and name hd2# ) ( resid 330 and name hz ) 5.00 3.20 0.50 !xf10/3 !VAL28 assign ( resid 28 and name ha ) ( resid 29 and name hn ) 2.70 0.90 0.00 ! assign ( resid 28 and name ha ) ( resid 35 and name ha ) 5.00 3.20 0.00 !ccnoe1/11 assign ( resid 28 and name hg1# ) ( resid 35 and name ha ) 5.00 3.20 0.50 !ccnoe10/3 assign ( resid 28 and name hg1# ) ( resid 29 and name hn ) 3.50 1.70 0.50 ! assign ( resid 28 and name hg1# ) ( resid 29 and name ha ) 5.00 3.20 0.50 !ccnoe1/11 assign ( resid 28 and name hg1# ) ( resid 30 and name ha ) 5.00 3.20 0.50 !30ccnoe11/26 assign ( resid 28 and name hg1# ) ( resid 31 and name ha ) 3.50 1.70 0.50 !ccnoe11/26 assign ( resid 28 and name hg1# ) ( resid 33 and name ha ) 5.00 3.20 0.50 !cc/hc9/8 assign ( resid 28 and name hg1# ) ((resid 33 and name hb1 ) or ( resid 33 and name hb2 )) 5.00 3.20 0.80 !hhcnoe072816 assign ( resid 28 and name hg1# ) ( resid 330 and name hz ) 3.50 1.70 0.50 !xf11/26 assign ( resid 28 and name hg1# ) ((resid 330 and name he1 ) or ( resid 330 and name he2 )) 5.00 3.20 0.80 !xf11/26 assign ( resid 28 and name hg2# ) ( resid 330 and name hz ) 5.00 3.20 0.50 !xf11/26 assign ( resid 28 and name hg2# ) ((resid 330 and name he1 ) or ( resid 330 and name he2 )) 5.00 3.20 0.80 !xf11/26 !ASN29 assign ( resid 29 and name hn ) ((resid 30 and name hd1 ) or ( resid 30 and name hd2 )) 5.00 3.20 0.30 ! assign ( resid 29 and name hn ) ( resid 33 and name hn ) 5.00 3.20 0.00 ! assign ( resid 29 and name ha ) ((resid 30 and name hd1 ) or ( resid 30 and name hd2 )) 2.70 0.90 0.30 !1/11,ccnoe assign ( resid 29 and name ha ) ((resid 30 and name hg1 ) or ( resid 30 and name hg2 )) 3.50 1.70 0.30 !1/11,ccnoe assign ( resid 29 and name ha ) ( resid 31 and name hn ) 5.00 3.20 0.00 ! assign ((resid 29 and name hb1 ) or ( resid 29 and name hb2 )) ( resid 31 and name hn ) 5.00 3.20 0.30 !1/11,hhnnoe assign ((resid 29 and name hb1 ) or ( resid 29 and name hb2 )) ( resid 34 and name hn ) 5.00 3.20 0.30 !1/11,hhnnoe !PRO30 assign ( resid 30 and name ha ) ( resid 31 and name hn ) 2.70 0.90 0.00 ! assign ((resid 30 and name hd1 ) or ( resid 30 and name hd2 )) ( resid 70 and name hg2# ) 5.00 3.20 0.80 !ccnoe9/8 assign ((resid 30 and name hd1 ) or ( resid 30 and name hd2 )) ( resid 70 and name hg1# ) 5.00 3.20 0.80 !ccnoe9/8 assign ( resid 30 and name ha ) ((resid 70 and name hg1# ) or ( resid 70 and name hg2# )) 5.00 3.20 0.50 !hcnoe10/3 !GLU31 assign ( resid 31 and name hn ) ( resid 32 and name hn ) 3.50 1.70 0.00 ! assign ( resid 31 and name ha ) ( resid 32 and name hn ) 2.70 0.90 0.00 ! assign ((resid 31 and name hg1 ) or ( resid 31 and name hg2 )) ( resid 32 and name hg2# ) 5.00 3.20 0.80 !1/11ccnoe assign ( resid 31 and name ha ) ( resid 70 and name hg1# ) 5.00 3.20 0.50 !31ccnoe10/3,may be relaxed assign ( resid 31 and name ha ) ((resid 330 and name hd1 ) or ( resid 330 and name hd2 )) 5.00 3.20 0.30 !hc9/8 assign ( resid 31 and name ha ) ((resid 330 and name he1 ) or ( resid 330 and name he2 )) 5.00 3.20 0.30 !hc9/8 !THR32 assign ( resid 32 and name ha ) ( resid 33 and name hn ) 2.70 0.90 0.00 !1/11hhnoe, can be relaxed assign ( resid 32 and name hg2# ) ((resid 34 and name hb1 ) or ( resid 34 and name hb2 )) 5.00 3.20 0.80 !ccnoe1/11 assign ( resid 32 and name ha ) ( resid 70 and name hg2# ) 5.00 3.20 0.50 !32hcnoe10/3 !ASN33 assign ((resid 33 and name hb1 ) or ( resid 33 and name hb2 )) ((resid 35 and name hb1 ) or ( resid 35 and name hb2 )) 5.00 3.20 0.60 !hc9/8 assign ((resid 33 and name hb1 ) or ( resid 33 and name hb2 )) ( resid 70 and name hg1# ) 3.50 1.70 0.80 !hc9/8 !SER34 assign ( resid 34 and name ha ) ( resid 35 and name hn ) 2.70 0.90 0.00 ! assign ((resid 34 and name hb1 ) or ( resid 34 and name hb2 )) ( resid 35 and name hn ) 3.50 1.70 0.30 ! !MET35 assign ( resid 35 and name ha ) ((resid 36 and name hd1 ) or ( resid 36 and name hd2 )) 2.70 0.90 0.30 !1/11ccnoe assign ( resid 35 and name ha ) ((resid 36 and name hg1 ) or ( resid 36 and name hg2 )) 5.00 3.20 0.30 !ccnoe relaxed11/1 assign ( resid 35 and name ha ) ((resid 39 and name hg1 ) or ( resid 39 and name hg2 )) 5.00 3.20 0.30 !ccnoe1/11 assign ( resid 35 and name ha ) ((resid 39 and name hb1 ) or ( resid 39 and name hb2 )) 5.00 3.20 0.30 !ccnoe1/11 !PRO36 assign ( resid 36 and name ha ) ( resid 37 and name hn ) 2.70 0.90 0.00 ! assign ((resid 36 and name hb1 ) or ( resid 36 and name hb2 )) ( resid 37 and name hn ) 3.50 1.70 0.30 ! assign ((resid 36 and name hb1 ) or ( resid 36 and name hb2 )) ((resid 39 and name hb1 ) or ( resid 39 and name hb2 )) 3.50 1.70 0.60 !ccnoe11/26 assign ((resid 36 and name hd1 ) or ( resid 36 and name hd2 )) ((resid 39 and name hb1 ) or ( resid 39 and name hb2 )) 5.00 3.20 0.60 !ccnoe11/26 assign ((resid 36 and name hb1 ) or ( resid 36 and name hb2 )) ((resid 39 and name hg1 ) or ( resid 39 and name hg2 )) 3.50 1.70 0.60 !ccnoe11/26 assign ((resid 36 and name hd1 ) or ( resid 36 and name hd2 )) ((resid 39 and name hg1 ) or ( resid 39 and name hg2 )) 3.50 1.70 0.60 !39ccnoe11/26 !SER37 assign ( resid 37 and name ha ) ( resid 38 and name hn ) 3.50 1.70 0.00 ! assign ( resid 37 and name hn ) ( resid 40 and name hn ) 5.00 3.20 0.00 ! assign ( resid 37 and name ha ) ((resid 40 and name hg1 ) or ( resid 40 and name hg2 )) 5.00 3.20 0.30 !ccnoe11/26 assign ((resid 37 and name hb1 ) or ( resid 37 and name hb2 )) ( resid 39 and name hn ) 5.00 3.20 0.30 ! !ALA38 assign ( resid 38 and name ha ) ((resid 41 and name hb1 ) or ( resid 41 and name hb2 )) 3.50 1.70 0.30 !ccnoe11/26, can be relaxed assign ( resid 38 and name ha ) ( resid 41 and name hg ) 5.00 3.20 0.00 !38ccnoe1/11 assign ( resid 38 and name ha ) ( resid 41 and name hd1# ) 3.50 1.70 0.50 ! assign ( resid 38 and name ha ) ( resid 41 and name hd2# ) 5.00 3.20 0.50 !41hhcnoe !GLU39 assign ( resid 39 and name hn ) ( resid 40 and name hn ) 3.50 1.70 0.00 ! assign ( resid 39 and name ha ) ((resid 42 and name hd1 ) or ( resid 42 and name hd2 )) 5.00 3.20 0.30 !39ccnoe1/11 assign ((resid 39 and name hg1 ) or ( resid 39 and name hg2 )) ((resid 43 and name hd1 ) or ( resid 43 and name hd2 )) 5.00 3.20 0.60 !39hhcnoe1/11 assign ((resid 39 and name hg1 ) or ( resid 39 and name hg2 )) ((resid 43 and name he1 ) or ( resid 43 and name he2 )) 5.00 3.20 0.60 !39hhcnoe1/11 !GLN40 assign ( resid 40 and name hn ) ( resid 41 and name hn ) 2.70 0.90 0.00 !shoulder9/8 assign ( resid 40 and name ha ) ( resid 43 and name hn ) 3.50 1.70 0.00 ! assign ( resid 40 and name ha ) ((resid 43 and name hd1 ) or ( resid 43 and name hd2 )) 3.50 1.70 0.30 !hhcnoe1/11 assign ( resid 40 and name ha ) ( resid 44 and name hd1# ) 5.00 3.20 0.50 !cc/hhcnoe1/11 assign ((resid 40 and name hg1 ) or ( resid 40 and name hg2 )) ( resid 66 and name hd1 ) 5.00 3.20 0.30 !hhcnoe,mk !LEU41 assign ( resid 41 and name hn ) ((resid 42 and name hd1 ) or ( resid 42 and name hd2 )) 3.50 1.70 0.30 ! assign ( resid 41 and name ha ) ( resid 44 and name hn ) 3.50 1.70 0.00 !hhnnoe1/11 assign ( resid 41 and name hd2# ) ((resid 42 and name hd1 ) or ( resid 42 and name hd2 )) 3.50 1.70 0.80 !ccnoe1/11 assign ( resid 41 and name hd1# ) ( resid 66 and name hd1 ) 5.00 3.20 0.50 !hhcnoe1/11 assign ( resid 41 and name hd1# ) ( resid 66 and name hz2 ) 5.00 3.20 0.50 !hhcnoe1/11 !PRO42 assign ( resid 42 and name ha ) ( resid 45 and name hb ) 5.00 3.20 0.00 !ccnoe assign ( resid 42 and name ha ) ( resid 45 and name hg2# ) 3.50 1.70 0.50 !ccnoe assign ( resid 42 and name ha ) ( resid 149 and name hg2# ) 5.00 3.20 0.50 !ccnoe/hhc assign ( resid 42 and name ha ) ( resid 149 and name hd1# ) 5.00 3.20 0.50 !ccnoe8/15 assign ((resid 42 and name hb1 ) or ( resid 42 and name hb2 )) ( resid 149 and name hg2# ) 3.50 1.70 0.80 !ccnoe/hhc assign ((resid 42 and name hb1 ) or ( resid 42 and name hb2 )) ( resid 149 and name hd1# ) 3.50 1.70 0.80 !ccnoe8/15 !PHE43 assign ( resid 43 and name hn ) ( resid 44 and name hn ) 2.70 0.90 0.00 !hhnnoe1/11 assign ( resid 43 and name ha ) ( resid 46 and name hn ) 3.50 1.70 0.00 !hhnnoe1/11 assign ( resid 43 and name ha ) ( resid 46 and name hd1# ) 3.50 1.70 0.50 !hhcnoe1/11 assign ( resid 43 and name ha ) ( resid 47 and name hg2# ) 5.00 3.20 0.50 !47cc8/15 assign ( resid 43 and name ha ) ( resid 93 and name hd1# ) 5.00 3.20 0.50 !hh/ccnoe1/11 assign ( resid 43 and name ha ) ( resid 119 and name hd1# ) 5.00 3.20 0.50 !119hc8/15 assign ( resid 43 and name ha ) ( resid 149 and name hd1# ) 5.00 3.20 0.50 !149cc8/15 assign ((resid 43 and name hd1 ) or ( resid 43 and name hd2 )) ( resid 46 and name hn ) 5.00 3.20 0.30 !hhnnoe1/11 assign ((resid 43 and name hd1 ) or ( resid 43 and name hd2 )) ( resid 60 and name hb# ) 5.00 3.20 0.80 !hhcnoe1/28 assign ((resid 43 and name he1 ) or ( resid 43 and name he2 )) ( resid 60 and name hb# ) 5.00 3.20 0.80 !hhcnoe1/28 assign ((resid 43 and name hd1 ) or ( resid 43 and name hd2 )) ( resid 93 and name hd1# ) 3.50 1.70 0.80 ! assign ((resid 43 and name hd1 ) or ( resid 43 and name hd2 )) ( resid 93 and name hg2# ) 5.00 3.20 0.80 ! assign ((resid 43 and name he1 ) or ( resid 43 and name he2 )) ( resid 93 and name hd1# ) 3.50 1.70 0.80 ! assign ( resid 43 and name hz ) ( resid 93 and name hd1# ) 3.50 1.70 0.50 ! assign ((resid 43 and name hd1 ) or ( resid 43 and name hd2 )) ( resid 149 and name hd1# ) 5.00 3.20 0.80 !hhcnoe assign ((resid 43 and name he1 ) or ( resid 43 and name he2 )) ( resid 149 and name hd1# ) 5.00 3.20 0.80 !hhcnoe !LEU44 assign ( resid 44 and name hn ) ( resid 45 and name hn ) 2.70 0.90 0.00 !hhnnoe1/11 assign ( resid 44 and name ha ) ( resid 47 and name hd1# ) 3.50 1.70 0.50 !cnoe1/11 assign ( resid 44 and name ha ) ( resid 47 and name hg2# ) 5.00 3.20 0.50 !ccnoe1/11 assign ( resid 44 and name hd2# ) ( resid 47 and name hd1# ) 3.50 1.70 1.00 !ccnoe1/11 assign ( resid 44 and name hd1# ) ( resid 66 and name hd1 ) 5.00 3.20 0.50 !hhcnoe1/11 assign ( resid 44 and name hd1# ) ( resid 66 and name hz2 ) 3.50 1.70 0.50 !hhcnoe1/11, can be relaxed assign ( resid 44 and name hd2# ) ( resid 66 and name hz2 ) 3.50 1.70 0.50 !hhcnoe1/11 assign ( resid 44 and name hd2# ) ( resid 66 and name hd1 ) 5.00 3.20 0.50 !hhcnoe1/11 assign ( resid 44 and name hd2# ) ( resid 66 and name he1 ) 2.70 0.90 0.50 !hhnnoe10/3 !THR45 assign ( resid 45 and name hn ) ( resid 46 and name hn ) 3.50 1.70 0.00 ! assign ( resid 45 and name ha ) ((resid 48 and name hb1 ) or ( resid 48 and name hb2 )) 3.50 1.70 0.30 !ccnoe assign ( resid 45 and name ha ) ((resid 48 and name hg1 ) or ( resid 48 and name hg2 )) 5.00 3.20 0.30 !ccnoe1/11 assign ( resid 45 and name hb ) ( resid 149 and name hg2# ) 5.00 3.20 0.50 !ccnoe assign ( resid 45 and name hg2# ) ( resid 46 and name hn ) 2.70 0.90 0.50 ! assign ( resid 45 and name hg2# ) ((resid 48 and name hb1 ) or ( resid 48 and name hb2 )) 5.00 3.20 0.80 !ccnoe assign ( resid 45 and name hg2# ) ((resid 48 and name hg1 ) or ( resid 48 and name hg2 )) 5.00 3.20 0.80 !ccnoe assign ( resid 45 and name hg2# ) ((resid 49 and name hb1 ) or ( resid 49 and name hb2 )) 3.50 1.70 0.80 !ccnoe1/11 assign ( resid 45 and name hg2# ) ( resid 149 and name hg2# ) 3.50 1.70 1.00 !ccnoe assign ( resid 45 and name hg2# ) ( resid 149 and name hd1# ) 5.00 3.20 1.00 !ccnoe8/15 assign ( resid 45 and name hg2# ) ( resid 150 and name ha ) 5.00 3.20 0.50 !ccnoe assign ( resid 45 and name hg2# ) ( resid 150 and name hb# ) 3.50 1.70 1.00 !hhcnoe, can be relaxed assign ( resid 45 and name hg2# ) ( resid 153 and name ha ) 5.00 3.20 0.50 !ccnoe assign ( resid 45 and name hg2# ) ((resid 153 and name he1 ) or ( resid 153 and name he2 )) 3.50 1.70 0.80 !ccnoe !LEU46 assign ( resid 46 and name hn ) ( resid 47 and name hn ) 3.50 1.70 0.00 ! assign ( resid 46 and name ha ) ( resid 49 and name hn ) 3.50 1.70 0.00 ! assign ( resid 46 and name ha ) ((resid 49 and name hb1 ) or ( resid 49 and name hb2 )) 5.00 3.20 0.30 !ccnoe1/11 assign ( resid 46 and name ha ) ( resid 149 and name hd1# ) 5.00 3.20 0.50 !ccnoe8/15 assign ( resid 46 and name hd1# ) ( resid 49 and name hn ) 5.00 3.20 0.50 !sp difussion assign ( resid 46 and name hd2# ) ( resid 49 and name hn ) 5.00 3.20 0.50 !sp difussion assign ( resid 46 and name hd1# ) ( resid 49 and name hd2 ) 5.00 3.20 0.50 !hhcnoe1/11 assign ( resid 46 and name hd2# ) ( resid 49 and name hd2 ) 5.00 3.20 0.50 !hhcnoe1/11 assign ( resid 46 and name hd2# ) ((resid 50 and name he1 ) or ( resid 50 and name he2 )) 3.50 1.70 0.80 !46md1 ov 55md1 assign ( resid 46 and name hd2# ) ( resid 50 and name hz ) 3.50 1.70 0.50 ! assign ( resid 46 and name hd2# ) ((resid 50 and name hd1 ) or ( resid 50 and name hd2 )) 5.00 3.20 0.80 ! assign ( resid 46 and name hd2# ) ((resid 91 and name hg1# ) or ( resid 91 and name hg2# )) 5.00 3.20 1.00 !ccnoe1/1 assign ( resid 46 and name hd2# ) ( resid 93 and name hd1# ) 5.00 3.20 1.00 !93ccnoe1/11 assign ( resid 46 and name hd2# ) ( resid 119 and name hd1# ) 3.50 1.70 1.00 !ccnoe1/11 assign ( resid 46 and name hd2# ) ( resid 119 and name hd2# ) 5.00 3.20 1.00 !ccnoe1/11 assign ( resid 46 and name hd2# ) ((resid 146 and name hd1 ) or ( resid 146 and name hd2 )) 6.00 4.20 0.80 !hhcnoe assign ( resid 46 and name hd1# ) ( resid 149 and name hd1# ) 3.50 1.70 1.00 !ccnoe assign ( resid 46 and name hd1# ) ( resid 149 and name hg2# ) 5.00 3.20 1.00 !ccnoe assign ( resid 46 and name hd2# ) ( resid 149 and name hd1# ) 3.50 1.70 1.00 ! assign ( resid 46 and name hd2# ) ( resid 149 and name hg2# ) 3.50 1.70 1.00 ! assign ( resid 46 and name hd2# ) ( resid 152 and name hb# ) 5.00 3.20 1.00 !cc/hhcnoe1/11 assign ( resid 46 and name hd2# ) ( resid 153 and name ha ) 5.00 3.20 0.50 !ccnoe1/11 assign ( resid 46 and name hd2# ) ((resid 153 and name he1 ) or ( resid 153 and name he2 )) 5.00 3.20 0.80 !hhcnoe assign ((resid 46 and name hb1 ) or ( resid 46 and name hb2 )) ( resid 156 and name hd1# ) 5.00 3.20 0.80 ! assign ( resid 46 and name hd2# ) ( resid 156 and name hd1# ) 3.50 1.70 1.00 ! assign ( resid 46 and name hd2# ) ( resid 156 and name hg2# ) 3.50 1.70 1.00 !hhnoe8/15 assign ( resid 46 and name hd1# ) ( resid 156 and name hd1# ) 3.50 1.70 1.00 !ccnoe !ILE47 assign ( resid 47 and name hn ) ( resid 48 and name hn ) 2.70 0.90 0.00 ! assign ( resid 47 and name ha ) ( resid 50 and name hn ) 5.00 3.20 0.00 !hhnnoe1/11 assign ( resid 47 and name ha ) ((resid 50 and name hb1 ) or ( resid 50 and name hb2 )) 5.00 3.20 0.30 !hhcnoe1/11 assign ( resid 47 and name ha ) ((resid 50 and name hd1 ) or ( resid 50 and name hd2 )) 3.50 1.70 0.30 ! assign ( resid 47 and name hg2# ) ( resid 48 and name ha ) 3.50 1.70 0.50 !47ccnoe8/15 assign ( resid 47 and name hg2# ) ((resid 50 and name hd1 ) or ( resid 50 and name hd2 )) 5.00 3.20 0.80 !ov with 160mg2 assign ( resid 47 and name hg2# ) ((resid 50 and name he1 ) or ( resid 50 and name he2 )) 5.00 3.20 0.80 ! assign ( resid 47 and name hd1# ) ((resid 50 and name hd1 ) or ( resid 50 and name hd2 )) 5.00 3.20 0.80 ! assign ( resid 47 and name hd1# ) ((resid 50 and name he1 ) or ( resid 50 and name he2 )) 5.00 3.20 0.80 ! assign ( resid 47 and name hd1# ) ( resid 50 and name hz ) 5.00 3.20 0.50 ! assign ( resid 47 and name hg2# ) ((resid 51 and name hb1 ) or ( resid 51 and name hb2 )) 5.00 3.20 0.80 !ccnoe assign ( resid 47 and name hd1# ) ( resid 57 and name hg1# ) 5.00 3.20 1.00 !ccnoe assign ( resid 47 and name hg2# ) ( resid 57 and name hg1# ) 3.50 1.70 1.00 !57ccnoe2/2 assign ( resid 47 and name hg2# ) ( resid 57 and name hg2# ) 5.00 3.20 1.00 !ccnoe assign ( resid 47 and name hg2# ) ( resid 60 and name hb# ) 3.50 1.70 1.00 !ccnoe,can be relaxed assign ( resid 47 and name hd1# ) ( resid 60 and name hb# ) 5.00 3.20 1.00 !ccnoe assign ( resid 47 and name hg2# ) ((resid 62 and name hd1 ) or ( resid 62 and name hd2 )) 3.50 1.70 0.80 !ccnoe9/8 assign ( resid 47 and name hd1# ) ((resid 62 and name hd1 ) or ( resid 62 and name hd2 )) 5.00 3.20 0.80 !ccnoe assign ( resid 47 and name hd1# ) ( resid 66 and name hz2 ) 5.00 3.20 0.50 !hhcnoe1/11 !GLU48 assign ( resid 48 and name hn ) ( resid 49 and name hn ) 2.70 0.90 0.00 ! assign ( resid 48 and name ha ) ( resid 51 and name hn ) 3.50 1.70 0.00 ! assign ( resid 48 and name ha ) ((resid 51 and name hb1 ) or ( resid 51 and name hb2 )) 3.50 1.70 0.30 !ccnoe1/28 assign ( resid 48 and name ha ) ((resid 51 and name hg1 ) or ( resid 51 and name hg2 )) 5.00 3.20 0.30 !ccnoe1/28 assign ( resid 48 and name ha ) ((resid 52 and name hg1 ) or ( resid 52 and name hg2 )) 5.00 3.20 0.30 ! assign ( resid 48 and name ha ) ((resid 52 and name he1 ) or ( resid 52 and name he2 )) 5.00 3.20 0.30 !ccnoe1/28 assign ((resid 48 and name hg1 ) or ( resid 48 and name hg2 )) ((resid 52 and name hg1 ) or ( resid 52 and name hg2 )) 5.00 3.20 0.60 !ccnoe1/28 assign ((resid 48 and name hg1 ) or ( resid 48 and name hg2 )) ((resid 52 and name he1 ) or ( resid 52 and name he2 )) 3.50 1.70 0.60 !ccnoe1/28 !HIS49 assign ( resid 49 and name hn ) ( resid 50 and name hn ) 2.70 0.90 0.00 ! assign ( resid 49 and name ha ) ( resid 52 and name hn ) 3.50 1.70 0.00 !hhnnoe1/11 assign ( resid 49 and name ha ) ( resid 53 and name hn ) 3.50 1.70 0.00 ! assign ( resid 49 and name ha ) ((resid 52 and name hg1 ) or ( resid 52 and name hg2 )) 5.00 3.20 0.30 !ccnoe assign ( resid 49 and name ha ) ((resid 52 and name he1 ) or ( resid 52 and name he2 )) 3.50 1.70 0.30 !ccnoe assign ( resid 49 and name ha ) ((resid 153 and name he1 ) or ( resid 153 and name he2 )) 5.00 3.20 0.30 !ccnoe1/28 assign ( resid 49 and name hd2 ) ( resid 50 and name ha ) 5.00 3.20 0.00 ! assign ( resid 49 and name hd2 ) ( resid 153 and name ha ) 5.00 3.20 0.00 !hhcnoe1/11 assign ( resid 49 and name hd2 ) ( resid 156 and name hg2# ) 5.00 3.20 0.50 !hhcnoe1/11 !PHE50 assign ( resid 50 and name hn ) ( resid 51 and name hn ) 2.70 0.90 0.00 ! assign ( resid 50 and name ha ) ( resid 55 and name hd1# ) 2.70 0.90 0.50 !ccnoe,hhcnoe12/26 assign ( resid 50 and name ha ) ((resid 53 and name hb1 ) or ( resid 53 and name hb2 )) 5.00 3.20 0.30 !ccnoe assign ( resid 50 and name ha ) ((resid 53 and name hg1 ) or ( resid 53 and name hg2 )) 3.50 1.70 0.30 !ccnoe assign ( resid 50 and name ha ) ( resid 57 and name hg2# ) 5.00 3.20 0.50 !hh/ccnoe1/28 assign ((resid 50 and name hb1 ) or ( resid 50 and name hb2 )) ( resid 55 and name hd2# ) 5.00 3.20 0.80 !55ccnoe2/2 assign ((resid 50 and name hb1 ) or ( resid 50 and name hb2 )) ( resid 55 and name hd1# ) 3.50 1.70 0.80 !55ccnoe2/2 assign ((resid 50 and name hb1 ) or ( resid 50 and name hb2 )) ( resid 57 and name hg2# ) 3.50 1.70 0.80 !hhcnoe1/28 assign ((resid 50 and name hd1 ) or ( resid 50 and name hd2 )) ( resid 53 and name hn ) 5.00 3.20 0.30 ! assign ((resid 50 and name hd1 ) or ( resid 50 and name hd2 )) ( resid 55 and name hd1# ) 3.50 1.70 0.80 ! assign ((resid 50 and name he1 ) or ( resid 50 and name he2 )) ( resid 55 and name hd1# ) 3.50 1.70 0.80 ! assign ( resid 50 and name hz ) ( resid 55 and name hd1# ) 3.50 1.70 0.50 ! assign ((resid 50 and name hd1 ) or ( resid 50 and name hd2 )) ( resid 55 and name hd2# ) 5.00 3.20 0.80 ! assign ((resid 50 and name hd1 ) or ( resid 50 and name hd2 )) ( resid 57 and name hg1# ) 3.50 1.70 0.80 ! assign ((resid 50 and name he1 ) or ( resid 50 and name he2 )) ( resid 57 and name hg1# ) 5.00 3.20 0.80 ! assign ((resid 50 and name hd1 ) or ( resid 50 and name hd2 )) ( resid 57 and name hg2# ) 3.50 1.70 0.80 ! assign ((resid 50 and name he1 ) or ( resid 50 and name he2 )) ( resid 57 and name hg2# ) 5.00 3.20 0.80 ! assign ((resid 50 and name hd1 ) or ( resid 50 and name hd2 )) ((resid 91 and name hg1# ) or ( resid 91 and name hg2# )) 5.00 3.20 0.80 !91mg1/2 ov assign ((resid 50 and name he1 ) or ( resid 50 and name he2 )) ((resid 91 and name hg1# ) or ( resid 91 and name hg2# )) 3.50 1.70 0.80 ! assign ( resid 50 and name hz ) ((resid 91 and name hg1# ) or ( resid 91 and name hg2# )) 3.50 1.70 0.50 ! assign ((resid 50 and name he1 ) or ( resid 50 and name he2 )) ( resid 156 and name hg2# ) 3.50 1.70 0.80 ! assign ( resid 50 and name hz ) ( resid 156 and name hg2# ) 3.50 1.70 0.50 ! assign ( resid 50 and name hz ) ( resid 156 and name hd1# ) 5.00 3.20 0.50 ! assign ((resid 50 and name hd1 ) or ( resid 50 and name hd2 )) ( resid 160 and name hd1# ) 5.00 3.20 0.80 ! assign ((resid 50 and name he1 ) or ( resid 50 and name he2 )) ( resid 160 and name hd1# ) 2.70 0.90 0.80 ! assign ( resid 50 and name hz ) ( resid 160 and name hd1# ) 2.70 0.90 0.50 ! assign ((resid 50 and name hd1 ) or ( resid 50 and name hd2 )) ( resid 160 and name hg2# ) 5.00 3.20 0.80 !ov with 47mg2 assign ((resid 50 and name he1 ) or ( resid 50 and name he2 )) ( resid 160 and name hg2# ) 5.00 3.20 0.80 ! assign ( resid 50 and name hz ) ( resid 160 and name hg2# ) 5.00 3.20 0.50 ! !GLU51 assign ( resid 51 and name hn ) ( resid 52 and name hn ) 2.70 0.90 0.00 ! assign ( resid 51 and name hn ) ( resid 57 and name hg2# ) 3.50 1.70 0.50 !hhcnoe2/2 assign ( resid 51 and name ha ) ( resid 57 and name hg2# ) 5.00 3.20 0.50 !51ccnoe2/02 assign ( resid 51 and name ha ) ( resid 56 and name ha ) 5.00 3.20 0.00 !ccnoe assign ((resid 51 and name hg1 ) or ( resid 51 and name hg2 )) ( resid 57 and name hg2# ) 3.50 1.70 0.80 !51ccnoe assign ((resid 51 and name hg1 ) or ( resid 51 and name hg2 )) ( resid 57 and name hg1# ) 5.00 3.20 0.80 !57ccnoe !LYS52 assign ( resid 52 and name hn ) ( resid 53 and name hn ) 2.70 0.90 0.00 ! assign ( resid 52 and name hn ) ( resid 54 and name hn ) 5.00 3.20 0.00 ! !GLN53 assign ( resid 53 and name hn ) ( resid 54 and name hn ) 2.70 0.90 0.00 ! assign ( resid 53 and name hn ) ( resid 55 and name hn ) 3.50 1.70 0.00 ! assign ( resid 53 and name hn ) ( resid 55 and name hd1# ) 3.50 1.70 0.50 ! assign ( resid 53 and name hn ) ((resid 55 and name hb1 ) or ( resid 55 and name hb2 )) 5.00 3.20 0.30 ! assign ( resid 53 and name ha ) ( resid 55 and name hn ) 5.00 3.20 0.00 !hhnnoe, can be deleted assign ((resid 53 and name hb1 ) or ( resid 53 and name hb2 )) ( resid 55 and name hd1# ) 3.50 1.70 0.80 !ccnoe2/2 assign ((resid 53 and name hg1 ) or ( resid 53 and name hg2 )) ( resid 55 and name hd1# ) 3.50 1.70 0.80 !ccnoe2/2 assign ((resid 53 and name hb1 ) or ( resid 53 and name hb2 )) ( resid 55 and name hd2# ) 5.00 3.20 0.80 ! assign ((resid 53 and name hg1 ) or ( resid 53 and name hg2 )) ( resid 55 and name hd2# ) 5.00 3.20 0.80 ! !GLY54 assign ( resid 54 and name hn ) ( resid 55 and name hn ) 2.70 0.90 0.00 ! assign ( resid 54 and name hn ) ((resid 55 and name hb1 ) or ( resid 55 and name hb2 )) 5.00 3.20 0.30 ! assign ( resid 54 and name hn ) ( resid 55 and name hd1# ) 3.50 1.70 0.50 ! !LEU55 assign ( resid 55 and name ha ) ( resid 56 and name hn ) 2.70 0.90 0.00 ! assign ( resid 55 and name hd2# ) ( resid 56 and name hn ) 3.50 1.70 0.50 ! assign ( resid 55 and name hd2# ) ( resid 160 and name hg2# ) 5.00 3.20 1.00 !ccnoe2/2 !GLU56 assign ( resid 56 and name ha ) ( resid 57 and name hn ) 2.70 0.90 0.00 !hhnnoe2/02 can be relaxed assign ( resid 56 and name hn ) ((resid 58 and name hd1 ) or ( resid 58 and name hd2 )) 5.00 3.20 0.30 ! assign ((resid 56 and name hb1 ) or ( resid 56 and name hb2 )) ((resid 58 and name hd1 ) or ( resid 58 and name hd2 )) 3.50 1.70 0.60 !hhcnoe,12/26 !VAL57 assign ( resid 57 and name hg1# ) ( resid 60 and name hb# ) 3.50 1.70 1.00 !cc/hc9/8 !PHE58 assign ((resid 58 and name hd1 ) or ( resid 58 and name hd2 ) or ( resid 58 and name he1 ) or ( resid 58 and name he2 ) or ( resid 58 and name hz )) ( resid 83 and name ha ) 5.00 3.20 1.50 !hhcnoe2/2,v weak sys assign ((resid 58 and name hd1 ) or ( resid 58 and name hd2 ) or ( resid 58 and name he1 ) or ( resid 58 and name he2 ) or ( resid 58 and name hz )) ( resid 87 and name hn ) 3.50 1.70 1.50 ! assign ((resid 58 and name hd1 ) or ( resid 58 and name hd2 ) or ( resid 58 and name he1 ) or ( resid 58 and name he2 ) or ( resid 58 and name hz )) ( resid 87 and name hb# ) 2.70 0.90 2.00 ! assign ((resid 58 and name hd1 ) or ( resid 58 and name hd2 ) or ( resid 58 and name he1 ) or ( resid 58 and name he2 ) or ( resid 58 and name hz )) ( resid 87 and name ha ) 3.50 1.70 1.50 ! assign ((resid 58 and name hd1 ) or ( resid 58 and name hd2 ) or ( resid 58 and name he1 ) or ( resid 58 and name he2 ) or ( resid 58 and name hz )) ((resid 86 and name hb1 ) or ( resid 86 and name hb2 )) 3.50 1.70 1.80 !hhcnoe2/2 assign ((resid 58 and name hd1 ) or ( resid 58 and name hd2 )) ((resid 86 and name hd1 ) or ( resid 86 and name hd2 )) 3.50 1.70 0.60 ! assign ((resid 58 and name he1 ) or ( resid 58 and name he2 )) ((resid 86 and name hd1 ) or ( resid 86 and name hd2 )) 3.50 1.70 0.60 ! assign ((resid 58 and name hd1 ) or ( resid 58 and name hd2 )) ((resid 86 and name he1 ) or ( resid 86 and name he2 )) 2.70 0.90 0.60 ! assign ((resid 58 and name he1 ) or ( resid 58 and name he2 )) ((resid 86 and name he1 ) or ( resid 86 and name he2 )) 2.70 0.90 0.60 !hhcnoe2/2 !ALA60 assign ( resid 60 and name hb# ) ( resid 66 and name hz2 ) 5.00 3.20 0.50 !hhcnoe assign ( resid 60 and name hb# ) ( resid 62 and name ha ) 3.50 1.70 0.50 !ccnoe assign ( resid 60 and name hb# ) ((resid 62 and name hd1 ) or ( resid 62 and name hd2 )) 5.00 3.20 0.80 !ccnoe !HIS61 assign ( resid 61 and name hn ) ( resid 66 and name he1 ) 5.00 3.20 0.00 !hhnnoe10/3 !ARG62 assign ( resid 62 and name ha ) ( resid 66 and name hd1 ) 3.50 1.70 0.00 !hhcnoe2/2 assign ( resid 62 and name ha ) ( resid 66 and name he1 ) 3.50 1.70 0.00 !hhnnoe12/08 assign ( resid 62 and name ha ) ( resid 66 and name hz2 ) 5.00 3.20 0.00 !hhcnoe !GLU64 assign ( resid 64 and name ha ) ( resid 69 and name hn ) 5.00 3.20 0.00 !hhnnoe2/9 assign ( resid 64 and name ha ) ( resid 71 and name hd2# ) 3.50 1.70 0.50 !ccnoe2/2 assign ( resid 64 and name ha ) ( resid 71 and name hd1# ) 5.00 3.20 0.50 !ccnoe2/2 assign ((resid 64 and name hg1 ) or ( resid 64 and name hg2 )) ( resid 71 and name hd2# ) 3.50 1.70 0.80 ! assign ((resid 64 and name hg1 ) or ( resid 64 and name hg2 )) ( resid 71 and name hd1# ) 5.00 3.20 0.80 ! !ALA65 assign ( resid 65 and name hn ) ( resid 66 and name hn ) 2.70 0.90 0.00 !hhnnoe2/8 assign ( resid 65 and name hn ) ( resid 66 and name he1 ) 5.00 3.20 0.00 !hhnnoe10/3 assign ( resid 65 and name ha ) ( resid 66 and name he1 ) 5.00 3.20 0.00 ! assign ( resid 65 and name ha ) ( resid 66 and name hd1 ) 3.50 1.70 0.00 !hhcnoe2/8 assign ( resid 65 and name hb# ) ( resid 66 and name hd1 ) 3.50 1.70 0.50 !hhcnoe2/8 assign ( resid 65 and name hb# ) ( resid 66 and name he1 ) 3.50 1.70 0.50 !can be relaxed assign ( resid 65 and name ha ) ( resid 67 and name hn ) 5.00 3.20 0.00 !hhnnoe9/8 assign ( resid 65 and name ha ) ( resid 68 and name hn ) 5.00 3.20 0.00 !hhnnoe9/8 assign ( resid 65 and name ha ) ((resid 69 and name hb1 ) or ( resid 69 and name hb2 )) 5.00 3.20 0.30 !ccnoe9/8 assign ( resid 65 and name ha ) ( resid 71 and name hd2# ) 5.00 3.20 0.50 !ccnoe9/8 assign ( resid 65 and name hb# ) ((resid 69 and name hb1 ) or ( resid 69 and name hb2 )) 5.00 3.20 0.80 !ccnoe2/8 relaxed11/1 assign ( resid 65 and name hb# ) ((resid 69 and name hg1 ) or ( resid 69 and name hg2 )) 5.00 3.20 0.80 !ccnoe2/8 assign ( resid 65 and name hb# ) ((resid 70 and name hg1# ) or ( resid 70 and name hg2# )) 5.00 3.20 1.00 !hhcnoe10/3 assign ( resid 65 and name hb# ) ( resid 71 and name hd1# ) 5.00 3.20 1.00 !hhcnoe2/8 assign ( resid 65 and name hb# ) ( resid 71 and name hd2# ) 5.00 3.20 1.00 !hhcnoe2/8 !TRP66 assign ( resid 66 and name hn ) ( resid 67 and name hn ) 2.70 0.90 0.00 !hhnnoe9/8 !GLY67 assign ( resid 67 and name hn ) ( resid 68 and name hn ) 2.70 0.90 0.00 !hhnnoe9/8 assign ((resid 67 and name ha1 ) or ( resid 67 and name ha2 )) ( resid 68 and name hn ) 3.50 1.70 0.30 ! !ALA68 assign ( resid 68 and name hb# ) ( resid 69 and name hn ) 3.50 1.70 0.50 !hhnnoe relaxed10/3 !GLN69 assign ( resid 69 and name ha ) ( resid 70 and name hn ) 2.70 0.90 0.00 ! assign ((resid 69 and name hb1 ) or ( resid 69 and name hb2 )) ( resid 71 and name hd1# ) 5.00 3.20 0.80 !ccnoe2/9 assign ((resid 69 and name hg1 ) or ( resid 69 and name hg2 )) ( resid 71 and name hd2# ) 3.50 1.70 0.80 !71ccnoe2/9 !VAL70 assign ( resid 70 and name ha ) ( resid 71 and name hn ) 2.70 0.90 0.00 ! assign ( resid 70 and name hb ) ( resid 71 and name hn ) 5.00 3.20 0.00 ! assign ( resid 70 and name hg2# ) ( resid 72 and name hg2# ) 5.00 3.20 1.00 !hhcnoe10/3 del 65mb to 70 assign ( resid 70 and name hg1# ) ( resid 72 and name hg2# ) 5.00 3.20 1.00 !hhcnoe10/3 assign ( resid 70 and name ha ) ((resid 330 and name hd1 ) or ( resid 330 and name hd2 )) 5.00 3.20 0.30 !xf130hd10/31 assign ( resid 70 and name hg1# ) ((resid 330 and name hd1 ) or ( resid 330 and name hd2 )) 3.50 1.70 0.80 !xf10/31 assign ( resid 70 and name hg1# ) ((resid 330 and name he1 ) or ( resid 330 and name he2 )) 3.50 1.70 0.80 !hhcnoe2/9 assign ( resid 70 and name hg2# ) ((resid 330 and name he1 ) or ( resid 330 and name he2 )) 5.00 3.20 0.80 ! !LEU71 assign ( resid 71 and name ha ) ( resid 72 and name hn ) 2.70 0.90 0.00 ! assign ( resid 71 and name ha ) ( resid 72 and name hg2# ) 5.00 3.20 0.50 !ccnoe10/3 assign ((resid 71 and name hb1 ) or ( resid 71 and name hb2 )) ( resid 72 and name hg2# ) 5.00 3.20 0.80 !ccnoe10/3 assign ( resid 71 and name hd2# ) ( resid 72 and name hg2# ) 3.50 1.70 1.00 !hhcnoe10/3 assign ( resid 71 and name hd2# ) ( resid 72 and name hn ) 3.50 1.70 0.50 ! assign ( resid 71 and name hd2# ) ((resid 75 and name hb1 ) or ( resid 75 and name hb2 )) 3.50 1.70 0.80 !ccnoe2/10 assign ( resid 71 and name hd2# ) ((resid 75 and name hg1 ) or ( resid 75 and name hg2 )) 5.00 3.20 0.80 !ov with 64cg assign ((resid 71 and name hd1# ) or ( resid 71 and name hd2# )) ( resid 76 and name hn ) 3.50 1.70 0.50 !hhnnoe2/9 assign ( resid 71 and name hd1# ) ( resid 76 and name ha ) 5.00 3.20 0.50 !ccnoe2/9 assign ( resid 71 and name hd1# ) ((resid 76 and name hb1 ) or ( resid 76 and name hb2 )) 3.50 1.70 0.80 !ccnoe assign ( resid 71 and name hd2# ) ((resid 76 and name hb1 ) or ( resid 76 and name hb2 )) 5.00 3.20 0.80 !ccnoe assign ( resid 71 and name hd1# ) ( resid 330 and name hz ) 5.00 3.20 0.50 !xf10/3 assign ( resid 71 and name hd1# ) ((resid 330 and name he1 ) or ( resid 330 and name he2 )) 5.00 3.20 0.80 !xf10/3 assign ( resid 71 and name hd2# ) ( resid 330 and name hz ) 5.00 3.20 0.50 !xf10/3 assign ( resid 71 and name hd2# ) ((resid 330 and name he1 ) or ( resid 330 and name he2 )) 5.00 3.20 0.80 !xf10/3 !THR72 assign ( resid 72 and name hn ) ( resid 74 and name hn ) 5.00 3.20 0.00 !hhnnoe2/11 assign ( resid 72 and name hn ) ( resid 75 and name hn ) 6.00 4.20 0.00 ! assign ( resid 72 and name hn ) ( resid 76 and name hn ) 6.00 4.20 0.00 ! assign ( resid 72 and name ha ) ((resid 73 and name hd1 ) or ( resid 73 and name hd2 )) 2.70 0.90 0.30 !hhcnoe assign ( resid 72 and name hg2# ) ((resid 73 and name hd1 ) or ( resid 73 and name hd2 )) 3.50 1.70 0.80 !hhcnoe assign ( resid 72 and name hg2# ) ( resid 75 and name hn ) 5.00 3.20 0.50 !changed from 74.hn 10/3 assign ( resid 72 and name hg2# ) ((resid 74 and name hb1 ) or ( resid 74 and name hb2 )) 5.00 3.20 0.80 !hc/cc10/3 assign ( resid 72 and name hg2# ) ((resid 75 and name hb1 ) or ( resid 75 and name hb2 )) 3.50 1.70 0.80 !hc/cc10/3 assign ( resid 72 and name hg2# ) ((resid 74 and name hg1 ) or ( resid 74 and name hg2 )) 5.00 3.20 0.80 !hc/cc10/3 assign ( resid 72 and name hg2# ) ((resid 75 and name hg1 ) or ( resid 75 and name hg2 )) 5.00 3.20 0.80 !hc/cc10/3 assign ( resid 72 and name hg2# ) ((resid 330 and name hd1 ) or ( resid 330 and name hd2 )) 5.00 3.20 0.80 !hhcnoe2/9 assign ( resid 72 and name hg2# ) ((resid 330 and name he1 ) or ( resid 330 and name he2 )) 3.50 1.70 0.80 !hhcnoe2/9 !PRO73 assign ( resid 73 and name ha ) ((resid 330 and name hd1 ) or ( resid 330 and name hd2 )) 3.50 1.70 0.30 !hhcnoe2/9 !GLU74 assign ( resid 74 and name hn ) ( resid 75 and name hn ) 2.70 0.90 0.00 ! assign ( resid 74 and name ha ) ( resid 77 and name hn ) 5.00 3.20 0.00 !hhnnoe9/8 assign ( resid 74 and name ha ) ((resid 78 and name hd1 ) or ( resid 78 and name hd2 )) 5.00 3.20 0.30 !ccnoe2/9 assign ( resid 74 and name ha ) ((resid 334 and name ha1 ) or ( resid 334 and name ha2 )) 5.00 3.20 0.30 !ccnoe2/8 assign ( resid 74 and name ha ) ( resid 337 and name hg2# ) 2.70 0.90 0.50 !ccnoe assign ((resid 74 and name hg1 ) or ( resid 74 and name hg2 )) ((resid 334 and name ha1 ) or ( resid 334 and name ha2 )) 5.00 3.20 0.60 !ccnoe8/15 assign ((resid 74 and name hg1 ) or ( resid 74 and name hg2 )) ( resid 337 and name hg2# ) 2.70 0.90 0.80 !ccnoe assign ((resid 74 and name hb1 ) or ( resid 74 and name hb2 )) ( resid 338 and name hg1# ) 5.00 3.20 0.80 !xf10/27 !GLU75 assign ( resid 75 and name hn ) ( resid 76 and name hn ) 2.70 0.90 0.00 ! assign ( resid 75 and name ha ) ((resid 78 and name hd1 ) or ( resid 78 and name hd2 )) 5.00 3.20 0.30 !ccnoe !CYS76 assign ( resid 76 and name hn ) ( resid 77 and name hn ) 3.50 1.70 0.00 ! assign ( resid 76 and name ha ) ( resid 79 and name hn ) 6.00 4.20 0.00 !sp diffussion assign ( resid 76 and name ha ) ((resid 79 and name hb1 ) or ( resid 79 and name hb2 )) 5.00 3.20 0.30 !ccnoe assign ( resid 76 and name ha ) ( resid 79 and name hd1# ) 3.50 1.70 0.50 !ccnoe assign ( resid 76 and name ha ) ( resid 79 and name hd2# ) 5.00 3.20 0.50 !ccnoe2/9 !THR77 assign ( resid 77 and name ha ) ( resid 80 and name hn ) 5.00 3.20 0.00 !hhnnoe2/11 assign ( resid 77 and name hg2# ) ((resid 78 and name hd1 ) or ( resid 78 and name hd2 )) 2.70 0.90 0.80 !trans pro78 assign ( resid 77 and name hg2# ) ((resid 81 and name hg1 ) or ( resid 81 and name hg2 )) 5.00 3.20 0.80 !ccnoe assign ( resid 77 and name hg2# ) ( resid 104 and name hg1# ) 5.00 3.20 1.00 !hhcnoe2/11 assign ( resid 77 and name hg2# ) ( resid 108 and name hz2 ) 3.50 1.70 0.50 !hhcnoe,can be relaxed assign ( resid 77 and name hg2# ) ( resid 108 and name hh2 ) 5.00 3.20 0.50 ! assign ( resid 77 and name ha ) ( resid 331 and name hd2# ) 3.50 1.70 0.50 ! 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assign ( resid 77 and name hg2# ) ( resid 338 and name hg2# ) 2.70 0.90 1.00 ! !PRO78 assign ( resid 78 and name ha ) ((resid 81 and name hb1 ) or ( resid 81 and name hb2 )) 5.00 3.20 0.30 !ccnoe2/11 assign ( resid 78 and name ha ) ( resid 81 and name hn ) 5.00 3.20 0.00 !hhnnoe2/11 assign ( resid 78 and name ha ) ( resid 337 and name hg2# ) 5.00 3.20 0.50 !xf10/28 assign ( resid 78 and name ha ) ( resid 338 and name hg1# ) 3.50 1.70 0.50 !ccnoe assign ( resid 78 and name ha ) ( resid 338 and name hg2# ) 5.00 3.20 0.50 ! assign ((resid 78 and name hd1 ) or ( resid 78 and name hd2 )) ( resid 331 and name hd2# ) 5.00 3.20 0.80 ! assign ((resid 78 and name hd1 ) or ( resid 78 and name hd2 )) ((resid 334 and name ha1 ) or ( resid 334 and name ha2 )) 5.00 3.20 0.60 !xf10/31 assign ((resid 78 and name hd1 ) or ( resid 78 and name hd2 )) ( resid 335 and name hd1# ) 5.00 3.20 0.80 !ccnoe8/15 assign ((resid 78 and name hd1 ) or ( resid 78 and name hd2 )) ( resid 337 and name hg2# ) 3.50 1.70 0.80 !ccnoe8/15 assign ((resid 78 and name hg1 ) or ( resid 78 and name hg2 )) ( resid 337 and name hg2# ) 5.00 3.20 0.80 !ccnoe8/15 assign ((resid 78 and name hb1 ) or ( resid 78 and name hb2 )) ( resid 337 and name hg2# ) 5.00 3.20 0.80 !ccnoe8/15 assign ((resid 78 and name hb1 ) or ( resid 78 and name hb2 )) ( resid 338 and name hg1# ) 3.50 1.70 0.80 !ccnoe8/15 assign ((resid 78 and name hg1 ) or ( resid 78 and name hg2 )) ( resid 338 and name hg1# ) 3.50 1.70 0.80 !ccnoe8/15 relaxed assign ((resid 78 and name hd1 ) or ( resid 78 and name hd2 )) ( resid 338 and name hg2# ) 5.00 3.20 0.80 ! 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!LEU82 assign ( resid 82 and name hn ) ( resid 83 and name hn ) 2.70 0.90 0.00 ! assign ( resid 82 and name ha ) ( resid 85 and name hn ) 3.50 1.70 0.00 !hhnnoe9/8 assign ( resid 82 and name ha ) ((resid 85 and name hb1 ) or ( resid 85 and name hb2 )) 5.00 3.20 0.30 !82ccnoe2/13 assign ( resid 82 and name ha ) ((resid 85 and name hg1 ) or ( resid 85 and name hg2 )) 3.50 1.70 0.30 !82ccnoe2/13 assign ( resid 82 and name ha ) ((resid 85 and name hd1 ) or ( resid 85 and name hd2 )) 2.70 0.90 0.30 !82ccnoe assign ( resid 82 and name hg ) ((resid 86 and name he1 ) or ( resid 86 and name he2 )) 5.00 3.20 0.30 !ccnoe2/2 assign ( resid 82 and name hd1# ) ((resid 85 and name hd1 ) or ( resid 85 and name hd2 )) 5.00 3.20 0.80 !ccnoe8/15 assign ( resid 82 and name hd1# ) ((resid 86 and name hb1 ) or ( resid 86 and name hb2 )) 5.00 3.20 0.80 !86hhcnoe2/2 assign ( resid 82 and name hd1# ) ((resid 86 and name he1 ) or ( resid 86 and name he2 )) 3.50 1.70 0.80 !ccnoe assign ((resid 82 and name hd1# ) or ( resid 82 and name hd2# )) ((resid 310 and name hb1 ) or ( resid 310 and name hb2 )) 5.00 3.20 0.80 !xf10/27 assign ((resid 82 and name hd1# ) or ( resid 82 and name hd2# )) ( resid 337 and name hg2# ) 5.00 3.20 1.00 !xf10/27 assign ((resid 82 and name hd1# ) or ( resid 82 and name hd2# )) ( resid 338 and name hg1# ) 3.50 1.70 1.00 !138xf10/27 !GLU83 assign ( resid 83 and name hn ) ( resid 84 and name hn ) 2.70 0.90 0.00 ! 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assign ( resid 85 and name hn ) ((resid 112 and name hd1 ) or ( resid 112 and name hd2 )) 3.50 1.70 0.30 !2/12 assign ( resid 85 and name ha ) ((resid 112 and name hd1 ) or ( resid 112 and name hd2 )) 3.50 1.70 0.30 !hhcnoe assign ((resid 85 and name hg1 ) or ( resid 85 and name hg2 )) ((resid 112 and name hd1 ) or ( resid 112 and name hd2 )) 3.50 1.70 0.60 !2/14 assign ((resid 85 and name hd1 ) or ( resid 85 and name hd2 )) ((resid 112 and name hd1 ) or ( resid 112 and name hd2 )) 2.70 0.90 0.60 ! assign ((resid 85 and name hd1 ) or ( resid 85 and name hd2 )) ((resid 112 and name he1 ) or ( resid 112 and name he2 )) 3.50 1.70 0.60 ! assign ( resid 85 and name ha ) ((resid 114 and name he1 ) or ( resid 114 and name he2 )) 2.70 0.90 0.30 !ccnoe2/12 !LYS86 assign ( resid 86 and name hn ) ( resid 87 and name hn ) 2.70 0.90 0.00 ! !ALA87 assign ( resid 87 and name ha ) ( resid 89 and name hn ) 5.00 3.20 0.00 !hhnnoe3/2 assign ( resid 87 and name hb# ) ( resid 89 and name hn ) 3.50 1.70 0.50 ! 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assign ( resid 93 and name hg2# ) ((resid 95 and name ha1 ) or ( resid 95 and name ha2 )) 3.50 1.70 0.80 !ccnoe3/15 assign ( resid 93 and name hg2# ) ( resid 96 and name hn ) 5.00 3.20 0.50 !relaxed10/3 assign ( resid 93 and name hg2# ) ( resid 119 and name hd1# ) 3.50 1.70 1.00 !hsqcCC assign ( resid 93 and name hd1# ) ( resid 119 and name hd1# ) 3.50 1.70 1.00 !hsqcCC assign ( resid 93 and name hg2# ) ( resid 120 and name hd2# ) 5.00 3.20 1.00 !hhcnoe3/15 can be deleted assign ( resid 93 and name hg2# ) ( resid 121 and name ha ) 5.00 3.20 0.50 !hhcnoe072816 assign ( resid 93 and name hd1# ) ( resid 121 and name ha ) 5.00 3.20 0.50 !hhcnoe072816 assign ( resid 93 and name hd1# ) ((resid 146 and name he1 ) or ( resid 146 and name he2 )) 5.00 3.20 0.80 ! assign ( resid 93 and name hg2# ) ((resid 146 and name he1 ) or ( resid 146 and name he2 )) 3.50 1.70 0.80 ! assign ( resid 93 and name hg2# ) ((resid 146 and name hd1 ) or ( resid 146 and name hd2 )) 5.00 3.20 0.80 ! assign ( resid 93 and name hg2# ) ( resid 149 and name hd1# ) 5.00 3.20 1.00 ! assign ( resid 93 and name hd1# ) ( resid 149 and name hd1# ) 3.50 1.70 1.00 ! !PRO94 assign ( resid 94 and name ha ) ( resid 95 and name hn ) 2.70 0.90 0.00 !added 02/27/17 assign ( resid 94 and name ha ) ( resid 98 and name ha ) 5.00 3.20 0.00 !hhcnoe12/8 assign ( resid 94 and name ha ) ( resid 99 and name hn ) 5.00 3.20 0.00 !hhnnoe10/3 assign ( resid 94 and name ha ) ( resid 102 and name hg2# ) 3.50 1.70 0.50 !hhnoe and ccnoe assign ((resid 94 and name hd1 ) or ( resid 94 and name hd2 )) ( resid 102 and name hg2# ) 5.00 3.20 0.80 !ccnoe 8/13 assign ( resid 94 and name ha ) ( resid 103 and name he1 ) 5.00 3.20 0.00 !hhcnoe3/17 assign ( resid 94 and name ha ) ( resid 106 and name hd1# ) 5.00 3.20 0.50 !hhcnoe and ccnoe assign ( resid 94 and name ha ) ((resid 128 and name he1 ) or ( resid 128 and name he2 )) 5.00 3.20 0.30 !hhcnoe072816 assign ((resid 94 and name hg1 ) or ( resid 94 and name hg2 )) ( resid 118 and name hd2# ) 3.50 1.70 0.80 !hc/cc8/15 assign ((resid 94 and name hd1 ) or ( resid 94 and name hd2 )) ( resid 118 and name hd2# ) 5.00 3.20 0.80 !ccnoe3/15 assign ((resid 94 and name hd1 ) or ( resid 94 and name hd2 )) ( resid 119 and name hn ) 5.00 3.20 0.30 !hnnoe11/26 assign ((resid 94 and name hg1 ) or ( resid 94 and name hg2 )) ( resid 120 and name hd2# ) 3.50 1.70 0.80 !hc/cc8/15 assign ((resid 94 and name hd1 ) or ( resid 94 and name hd2 )) ( resid 120 and name hd2# ) 3.50 1.70 0.80 !ccnoe !GLY95 assign ( resid 95 and name hn ) ( resid 96 and name hn ) 2.70 0.90 0.00 !hhnnoe10/3 assign ((resid 95 and name ha1 ) or ( resid 95 and name ha2 )) ( resid 96 and name hn ) 3.50 1.70 0.30 ! assign ((resid 95 and name ha1 ) or ( resid 95 and name ha2 )) ( resid 99 and name hn ) 5.00 3.20 0.30 !hhnnoe10/3 assign ( resid 95 and name hn ) ( resid 120 and name hd2# ) 5.00 3.20 0.50 !hhnnoe3/15 assign ( resid 95 and name hn ) ( resid 125 and name ha ) 5.00 3.20 0.00 !hhnnoe11/1,canbetightened assign ( resid 95 and name hn ) ((resid 128 and name he1 ) or ( resid 128 and name he2 )) 5.00 3.20 0.30 !hhnnoe !ILE96 assign ( resid 96 and name hn ) ( resid 125 and name ha ) 5.00 3.20 0.00 !hhnnoe11/1 assign ( resid 96 and name hn ) ((resid 128 and name he1 ) or ( resid 128 and name he2 )) 3.50 1.70 0.30 !hhnnoe10/3 assign ( resid 96 and name hn ) ((resid 128 and name hd1 ) or ( resid 128 and name hd2 )) 5.00 3.20 0.30 !added 0302/17 assign ( resid 96 and name ha ) ( resid 97 and name ha ) 2.70 0.90 0.00 !hhcnoe9/8 assign ( resid 96 and name ha ) ((resid 97 and name hb1 ) or ( resid 97 and name hb2 )) 5.00 3.20 0.30 !ccnoe,can be relaxed assign ( resid 96 and name hg2# ) ( resid 97 and name ha ) 2.70 0.90 0.50 !ccnoe assign ( resid 96 and name hg2# ) ((resid 97 and name hb1 ) or ( resid 97 and name hb2 )) 3.50 1.70 0.80 !ccnoe assign ( resid 96 and name hg2# ) ((resid 97 and name hg1 ) or ( resid 97 and name hg2 )) 5.00 3.20 0.80 !ccnoe3/15 assign ( resid 96 and name hg2# ) ((resid 98 and name hd1 ) or ( resid 98 and name hd2 )) 5.00 3.20 0.80 !ccnoe3/15,can be deleted assign ( resid 96 and name hd1# ) ((resid 98 and name hd1 ) or ( resid 98 and name hd2 )) 5.00 3.20 0.80 !96ccnoe10/6 assign ( resid 96 and name hd1# ) ( resid 120 and name hd2# ) 5.00 3.20 1.00 !120cc8/15 assign ( resid 96 and name hd1# ) ( resid 124 and name hn ) 5.00 3.20 0.50 !hhnnoe12/8 assign ( resid 96 and name hg2# ) ( resid 124 and name hn ) 5.00 3.20 0.50 !hhnnoe12/8 assign ( resid 96 and name hd1# ) ( resid 124 and name ha ) 3.50 1.70 0.50 !ccnoe8/15 assign ( resid 96 and name hd1# ) ((resid 124 and name hd1 ) or ( resid 124 and name hd2 )) 3.50 1.70 0.80 !ccnoe3/15 assign ( resid 96 and name hd1# ) ((resid 124 and name hg1 ) or ( resid 124 and name hg2 )) 5.00 3.20 0.80 !ccnoe3/15 assign ( resid 96 and name hd1# ) ( resid 125 and name hn ) 3.50 1.70 0.50 !hhnnoe11/1 assign ( resid 96 and name hd1# ) ( resid 127 and name hn ) 3.50 1.70 0.50 ! assign ( resid 96 and name hg2# ) ( resid 127 and name hn ) 5.00 3.20 0.50 ! assign ( resid 96 and name hd1# ) ((resid 127 and name hb1 ) or ( resid 127 and name hb2 )) 3.50 1.70 0.80 !hhcnoe,ccnoe assign ( resid 96 and name hd1# ) ((resid 127 and name hg1 ) or ( resid 127 and name hg2 )) 3.50 1.70 0.80 !hhcnoe,ccnoe assign ( resid 96 and name hg2# ) ((resid 127 and name hb1 ) or ( resid 127 and name hb2 )) 3.50 1.70 0.80 ! assign ( resid 96 and name hg2# ) ((resid 127 and name hg1 ) or ( resid 127 and name hg2 )) 3.50 1.70 0.80 ! assign ( resid 96 and name hd1# ) ( resid 128 and name hn ) 3.50 1.70 0.50 !can be relaxed assign ( resid 96 and name hd1# ) ( resid 128 and name ha ) 2.70 0.90 0.50 !128hhcnoe10/3 assign ( resid 96 and name hd1# ) ((resid 128 and name hd1 ) or ( resid 128 and name hd2 )) 5.00 3.20 0.80 !hhcnoe assign ( resid 96 and name hd1# ) ((resid 128 and name he1 ) or ( resid 128 and name he2 )) 3.50 1.70 0.80 ! assign ( resid 96 and name hg2# ) ((resid 128 and name he1 ) or ( resid 128 and name he2 )) 5.00 3.20 0.80 ! !PRO97 assign ( resid 97 and name ha ) ((resid 98 and name hd1 ) or ( resid 98 and name hd2 )) 2.70 0.90 0.30 !ccnoe10/3 !PRO98 assign ( resid 98 and name ha ) ( resid 103 and name he1 ) 2.70 0.90 0.00 !not 100%sure, can be deleted !SER99 assign ( resid 99 and name hn ) ( resid 103 and name he1 ) 5.00 3.20 0.00 !hnnoe8/15 assign ( resid 99 and name ha ) ((resid 100 and name hd1 ) or ( resid 100 and name hd2 )) 2.70 0.90 0.30 !ccnoe10/3 assign ((resid 99 and name hb1 ) or ( resid 99 and name hb2 )) ( resid 102 and name hg2# ) 5.00 3.20 0.80 !102cc,8/15 !GLY101 assign ( resid 101 and name hn ) ( resid 102 and name hn ) 2.70 0.90 0.00 ! assign ((resid 101 and name ha1 ) or ( resid 101 and name ha2 )) ( resid 104 and name hg2# ) 5.00 3.20 0.80 !ccnoe3/17 assign ((resid 101 and name ha1 ) or ( resid 101 and name ha2 )) ( resid 331 and name hd1# ) 3.50 1.70 0.80 ! assign ((resid 101 and name ha1 ) or ( resid 101 and name ha2 )) ( resid 331 and name hd2# ) 5.00 3.20 0.80 !8/15 !THR102 assign ( resid 102 and name hn ) ( resid 103 and name hn ) 3.50 1.70 0.00 !hhnnoe assign ( resid 102 and name hg2# ) ((resid 105 and name hg1 ) or ( resid 105 and name hg2 )) 5.00 3.20 0.80 !ccnoe3/15 assign ( resid 102 and name hg2# ) ( resid 106 and name hd1# ) 2.70 0.90 1.00 !hhcnoe assign ( resid 102 and name hb ) ( resid 106 and name hd1# ) 5.00 3.20 0.50 ! assign ( resid 102 and name hg2# ) ((resid 128 and name he1 ) or ( resid 128 and name he2 )) 5.00 3.20 0.80 !added 2/26/17 !HIS103 assign ( resid 103 and name hn ) ( resid 104 and name hn ) 3.50 1.70 0.00 ! assign ( resid 103 and name hn ) ((resid 128 and name he1 ) or ( resid 128 and name he2 )) 5.00 3.20 0.30 !added 2/26/17 assign ( resid 103 and name hn ) ((resid 128 and name hd1 ) or ( resid 128 and name hd2 )) 5.00 3.20 0.30 !added 0302/17 assign ( resid 103 and name ha ) ( resid 106 and name hn ) 3.50 1.70 0.00 ! assign ( resid 103 and name ha ) ( resid 107 and name hn ) 3.50 1.70 0.00 ! assign ( resid 103 and name ha ) ( resid 106 and name hd1# ) 3.50 1.70 0.50 !hhcnoe,ccnoe assign ( resid 103 and name ha ) ( resid 106 and name hg2# ) 5.00 3.20 0.50 ! assign ( resid 103 and name hd2 ) ( resid 104 and name hn ) 5.00 3.20 0.00 !mk3/17 assign ( resid 103 and name hd2 ) ( resid 106 and name hd1# ) 5.00 3.20 0.50 ! assign ( resid 103 and name he1 ) ( resid 106 and name hd1# ) 5.00 3.20 0.50 !hhcnoe3/17 assign ( resid 103 and name hd2 ) ( resid 132 and name hg1# ) 5.00 3.20 0.50 !hc8/15 assign ( resid 103 and name hd2 ) ( resid 132 and name hg2# ) 3.50 1.70 0.50 ! assign ( resid 103 and name he1 ) ( resid 132 and name hg2# ) 5.00 3.20 0.50 !hhcnoe3/17 assign ( resid 103 and name ha ) ( resid 304 and name hg2# ) 5.00 3.20 0.50 ! assign ( resid 103 and name hd2 ) ( resid 304 and name hg2# ) 3.50 1.70 0.50 ! !VAL104 assign ( resid 104 and name hn ) ( resid 105 and name hn ) 2.70 0.90 0.00 ! assign ( resid 104 and name ha ) ( resid 107 and name hn ) 3.50 1.70 0.00 ! assign ( resid 104 and name hg1# ) ( resid 108 and name hn ) 5.00 3.20 0.50 ! assign ( resid 104 and name hg1# ) ( resid 108 and name hz2 ) 5.00 3.20 0.50 ! assign ( resid 104 and name hg1# ) ( resid 108 and name he1 ) 5.00 3.20 0.50 !hhnoe assign ( resid 104 and name hg1# ) ( resid 108 and name he3 ) 5.00 3.20 0.50 !hhnoe9/8 assign ( resid 104 and name hg2# ) ( resid 304 and name ha ) 5.00 3.20 0.50 !xf10/27 assign ( resid 104 and name hg2# ) ( resid 304 and name hb ) 5.00 3.20 0.50 !xf10/27 assign ( resid 104 and name hg1# ) ( resid 306 and name hg2# ) 3.50 1.70 1.00 ! assign ( resid 104 and name hg2# ) ( resid 306 and name hg2# ) 3.50 1.70 1.00 !ccnoe3/17 assign ( resid 104 and name hg2# ) ( resid 306 and name hd1# ) 5.00 3.20 1.00 !xf10/31 can be deleted sp assign ( resid 104 and name hg1# ) ( resid 307 and name hn ) 2.70 0.90 0.50 ! assign ( resid 104 and name hg1# ) ((resid 307 and name ha1 ) or ( resid 307 and name ha2 )) 3.50 1.70 0.80 ! assign ( resid 104 and name hb ) ( resid 331 and name hd1# ) 2.70 0.90 0.50 !xf10/27 assign ( resid 104 and name hg1# ) ( resid 331 and name hd1# ) 3.50 1.70 1.00 ! assign ( resid 104 and name hg1# ) ( resid 331 and name hd2# ) 5.00 3.20 1.00 ! assign ( resid 104 and name hg1# ) ( resid 332 and name hg2# ) 5.00 3.20 1.00 ! assign ( resid 104 and name hg2# ) ( resid 332 and name hg2# ) 5.00 3.20 1.00 !3/17hhcnoe assign ( resid 104 and name hg1# ) ( resid 335 and name hd1# ) 3.50 1.70 1.00 ! assign ( resid 104 and name hg1# ) ( resid 335 and name hd2# ) 5.00 3.20 1.00 ! assign ( resid 104 and name hg1# ) ( resid 338 and name hg2# ) 5.00 3.20 1.00 !138hc8/15 !GLU105 assign ( resid 105 and name hn ) ( resid 106 and name hn ) 2.70 0.90 0.00 ! assign ( resid 105 and name ha ) ( resid 108 and name hn ) 3.50 1.70 0.00 !hhnnoe3/18 assign ( resid 105 and name ha ) ( resid 108 and name he3 ) 5.00 3.20 0.00 !hhcnoe3/18 !ILE106 assign ( resid 106 and name hn ) ( resid 107 and name hn ) 2.70 0.90 0.00 ! assign ( resid 106 and name ha ) ( resid 109 and name hb# ) 5.00 3.20 0.50 !ccnoe,106ha ov 109ha assign ( resid 106 and name hg2# ) ( resid 109 and name hb# ) 5.00 3.20 1.00 !ccnoe assign ( resid 106 and name hg2# ) ( resid 116 and name hd1# ) 5.00 3.20 1.00 !ccnoe3/18 assign ( resid 106 and name hd1# ) ( resid 118 and name hd2# ) 3.50 1.70 1.00 !ccnoe3/18 assign ( resid 106 and name hd1# ) ( resid 118 and name hd1# ) 3.50 1.70 1.00 !ccnoe3/18 assign ( resid 106 and name hg2# ) ( resid 118 and name hd2# ) 5.00 3.20 1.00 !ccnoe3/18 assign ( resid 106 and name hg2# ) ( resid 118 and name hd1# ) 5.00 3.20 1.00 !ccnoe3/18 assign ( resid 106 and name hd1# ) ((resid 128 and name he1 ) or ( resid 128 and name he2 )) 5.00 3.20 0.80 !hhcnoe3/18, sd from 132? assign ( resid 106 and name hd1# ) ( resid 132 and name hg2# ) 3.50 1.70 1.00 !ccnoe assign ( resid 106 and name hd1# ) ( resid 132 and name hg1# ) 5.00 3.20 1.00 !ccnoe assign ( resid 106 and name hg2# ) ( resid 132 and name hg2# ) 5.00 3.20 1.00 !ccnoe8/15 assign ( resid 106 and name hg2# ) ( resid 135 and name hd1# ) 3.50 1.70 1.00 !ccnoe assign ( resid 106 and name hg2# ) ( resid 135 and name hd2# ) 3.50 1.70 1.00 !ccnoe3/18 !GLY107 assign ( resid 107 and name hn ) ( resid 108 and name hn ) 2.70 0.90 0.00 ! assign ((resid 107 and name ha1 ) or ( resid 107 and name ha2 )) ( resid 110 and name hn ) 5.00 3.20 0.30 ! assign ((resid 107 and name ha1 ) or ( resid 107 and name ha2 )) ( resid 111 and name hn ) 5.00 3.20 0.30 !hhnnoe3/18 assign ((resid 107 and name ha1 ) or ( resid 107 and name ha2 )) ( resid 111 and name hb# ) 5.00 3.20 0.80 ! !TRP108 assign ( resid 108 and name hn ) ( resid 109 and name hn ) 2.70 0.90 0.00 ! assign ( resid 108 and name ha ) ( resid 111 and name hn ) 3.50 1.70 0.00 ! assign ( resid 108 and name ha ) ( resid 311 and name hb# ) 3.50 1.70 0.50 !xf10/27 assign ( resid 108 and name he1 ) ( resid 310 and name hg ) 5.00 3.20 0.00 !hhnnoe assign ( resid 108 and name hd1 ) ( resid 311 and name hb# ) 3.50 1.70 0.50 ! assign ( resid 108 and name he1 ) ( resid 311 and name hb# ) 3.50 1.70 0.50 ! assign ( resid 108 and name hd1 ) ( resid 311 and name hn ) 3.50 1.70 0.00 ! assign ( resid 108 and name he1 ) ( resid 311 and name hn ) 5.00 3.20 0.00 !hhnnoe assign ( resid 108 and name he1 ) ( resid 311 and name ha ) 5.00 3.20 0.00 !hhnnoe assign ( resid 108 and name hz2 ) ( resid 331 and name hd2# ) 5.00 3.20 0.50 ! assign ( resid 108 and name hz3 ) ( resid 331 and name hd2# ) 3.50 1.70 0.50 ! assign ( resid 108 and name he3 ) ( resid 331 and name hd2# ) 3.50 1.70 0.50 ! assign ( resid 108 and name hz3 ) ( resid 331 and name hd1# ) 5.00 3.20 0.50 ! assign ( resid 108 and name he3 ) ( resid 331 and name hd1# ) 5.00 3.20 0.50 ! assign ( resid 108 and name hz2 ) ( resid 335 and name hd1# ) 3.50 1.70 0.50 ! assign ( resid 108 and name hh2 ) ( resid 335 and name hd1# ) 5.00 3.20 0.50 ! assign ( resid 108 and name hz2 ) ( resid 338 and name hg2# ) 3.50 1.70 0.50 ! assign ( resid 108 and name hh2 ) ( resid 338 and name hg2# ) 5.00 3.20 0.50 ! !ALA109 assign ( resid 109 and name hn ) ( resid 110 and name hn ) 2.70 0.90 0.00 ! assign ( resid 109 and name ha ) ( resid 112 and name hn ) 3.50 1.70 0.00 !3/19 assign ( resid 109 and name ha ) ((resid 112 and name hb1 ) or ( resid 112 and name hb2 )) 5.00 3.20 0.30 !cccnoe3/19 assign ( resid 109 and name ha ) ((resid 112 and name hd1 ) or ( resid 112 and name hd2 )) 5.00 3.20 0.30 !hhcnoe assign ( resid 109 and name ha ) ( resid 114 and name hn ) 3.50 1.70 0.00 !3/19 assign ( resid 109 and name hb# ) ( resid 114 and name hn ) 5.00 3.20 0.50 ! assign ( resid 109 and name hb# ) ((resid 114 and name hb1 ) or ( resid 114 and name hb2 )) 5.00 3.20 0.80 !109ccnoe assign ( resid 109 and name hb# ) ( resid 115 and name ha ) 5.00 3.20 0.50 !ccnoe3/19 assign ( resid 109 and name hb# ) ( resid 116 and name hd1# ) 2.70 0.90 1.00 !ccnoe assign ( resid 109 and name hb# ) ((resid 116 and name hg11 ) or ( resid 116 and name hg12 )) 5.00 3.20 0.80 !ccnoe3/19 assign ( resid 109 and name hb# ) ( resid 135 and name hd1# ) 5.00 3.20 1.00 !135hhcnoe3/19 assign ( resid 109 and name hb# ) ( resid 141 and name hg2# ) 5.00 3.20 1.00 !109ccnoe3/19,stronger to mg2 assign ( resid 109 and name hn ) ( resid 311 and name hb# ) 5.00 3.20 0.50 !real peak, due to dimer??? !SER110 assign ( resid 110 and name hn ) ( resid 111 and name hn ) 2.70 0.90 0.00 ! assign ( resid 110 and name hn ) ( resid 116 and name hd1# ) 5.00 3.20 0.50 !hhn8/15 assign ( resid 110 and name ha ) ( resid 116 and name hd1# ) 3.50 1.70 0.50 !110ccnoe,hhcnoe assign ( resid 110 and name ha ) ( resid 135 and name hd1# ) 5.00 3.20 0.50 !110hhcnoe072816 assign ( resid 110 and name ha ) ( resid 139 and name hb# ) 5.00 3.20 0.50 !110ccnoe040516 assign ((resid 110 and name hb1 ) or ( resid 110 and name hb2 )) ( resid 116 and name hd1# ) 3.50 1.70 0.80 ! assign ((resid 110 and name hb1 ) or ( resid 110 and name hb2 )) ( resid 135 and name hd1# ) 3.50 1.70 0.80 !ccnoe assign ((resid 110 and name hb1 ) or ( resid 110 and name hb2 )) ( resid 139 and name hb# ) 3.50 1.70 0.80 !ccnoe0405 !ALA111 assign ( resid 111 and name hn ) ( resid 112 and name hn ) 2.70 0.90 0.00 ! assign ( resid 111 and name hn ) ((resid 312 and name hd1 ) or ( resid 312 and name hd2 )) 3.50 1.70 0.30 ! assign ( resid 111 and name hn ) ((resid 312 and name he1 ) or ( resid 312 and name he2 )) 5.00 3.20 0.30 ! assign ( resid 111 and name ha ) ((resid 312 and name he1 ) or ( resid 312 and name he2 )) 5.00 3.20 0.30 ! assign ( resid 111 and name hb# ) ( resid 311 and name ha ) 5.00 3.20 0.50 !xf10/27 assign ( resid 111 and name hb# ) ( resid 311 and name hb# ) 3.50 1.70 1.00 !xf10/27 assign ( resid 111 and name hb# ) ( resid 312 and name ha ) 5.00 3.20 0.50 !hhcnoe0405 assign ( resid 111 and name hb# ) ((resid 312 and name hd1 ) or ( resid 312 and name hd2 )) 2.70 0.90 0.80 ! assign ( resid 111 and name hb# ) ((resid 312 and name he1 ) or ( resid 312 and name he2 )) 3.50 1.70 0.80 ! !PHE112 assign ( resid 112 and name hn ) ( resid 113 and name hn ) 2.70 0.90 0.00 ! assign ( resid 112 and name hn ) ( resid 114 and name hn ) 5.00 3.20 0.00 ! assign ((resid 112 and name hb1 ) or ( resid 112 and name hb2 )) ( resid 114 and name hn ) 3.50 1.70 0.30 !0405 assign ((resid 112 and name hd1 ) or ( resid 112 and name hd2 )) ( resid 114 and name hn ) 3.50 1.70 0.30 ! assign ((resid 112 and name hd1 ) or ( resid 112 and name hd2 )) ((resid 114 and name he1 ) or ( resid 114 and name he2 )) 5.00 3.20 0.60 !2/12 assign ((resid 112 and name hd1 ) or ( resid 112 and name hd2 )) ((resid 312 and name hd1 ) or ( resid 312 and name hd2 )) 5.00 3.20 0.60 !xf10/31 !ASP113 assign ( resid 113 and name hn ) ( resid 114 and name hn ) 2.70 0.90 0.00 ! assign ( resid 113 and name ha ) ( resid 139 and name hb# ) 3.50 1.70 0.50 !ccnoe,hhcnoe0405 assign ((resid 113 and name hb1 ) or ( resid 113 and name hb2 )) ( resid 139 and name hb# ) 5.00 3.20 0.80 !113cb ov 168cb assign ((resid 113 and name hb1 ) or ( resid 113 and name hb2 )) ( resid 167 and name hg1# ) 5.00 3.20 0.80 !hhcnoe0803 !PRO115 assign ( resid 115 and name ha ) ( resid 116 and name hn ) 2.70 0.90 0.00 ! assign ( resid 115 and name ha ) ( resid 140 and name hb# ) 3.50 1.70 0.50 !ccnoe,hhcnoe12/26 assign ( resid 115 and name ha ) ( resid 141 and name hg2# ) 5.00 3.20 0.50 !ccnoe3/19 assign ( resid 115 and name ha ) ( resid 163 and name hg2# ) 5.00 3.20 0.50 !ccnoe assign ( resid 115 and name ha ) ( resid 167 and name hg1# ) 3.50 1.70 0.50 !ccnoe assign ( resid 115 and name ha ) ( resid 167 and name hg2# ) 5.00 3.20 0.50 ! !ILE116 assign ( resid 116 and name hn ) ( resid 140 and name hb# ) 5.00 3.20 0.50 !hhnnoe,hhcnoe12/26 assign ( resid 116 and name hn ) ( resid 141 and name ha ) 5.00 3.20 0.00 !hhnnoe,12/23 assign ( resid 116 and name hn ) ( resid 141 and name hg1# ) 5.00 3.20 0.50 ! assign ( resid 116 and name hn ) ( resid 141 and name hg2# ) 5.00 3.20 0.50 !hhcnoe,12/23 assign ( resid 116 and name hn ) ( resid 142 and name hn ) 5.00 3.20 0.00 !hhnnoe,12/23 assign ( resid 116 and name hn ) ((resid 163 and name hg1# ) or ( resid 163 and name hg2# )) 5.00 3.20 0.50 ! assign ( resid 116 and name ha ) ( resid 117 and name hn ) 2.70 0.90 0.00 ! assign ( resid 116 and name hb ) ( resid 141 and name hg1# ) 5.00 3.20 0.50 !141cc8/15 assign ( resid 116 and name hb ) ( resid 141 and name hg2# ) 5.00 3.20 0.50 !141cc8/15 assign ( resid 116 and name hg12 ) ( resid 117 and name hn ) 3.50 1.70 0.00 ! assign ( resid 116 and name hg2# ) ( resid 117 and name hn ) 3.50 1.70 0.50 ! assign ( resid 116 and name hg2# ) ( resid 117 and name ha ) 5.00 3.20 0.50 !hc8/15 assign ( resid 116 and name hg2# ) ( resid 118 and name hn ) 5.00 3.20 0.50 !116hc8/15 assign ( resid 116 and name hg2# ) ( resid 118 and name hd2# ) 3.50 1.70 1.00 !cc8/15 assign ( resid 116 and name hd1# ) ( resid 135 and name hd1# ) 5.00 3.20 1.00 ! assign ( resid 116 and name hd1# ) ( resid 135 and name hd2# ) 5.00 3.20 1.00 ! assign ( resid 116 and name hg2# ) ( resid 135 and name hd1# ) 5.00 3.20 1.00 ! assign ( resid 116 and name hg2# ) ( resid 135 and name hd2# ) 5.00 3.20 1.00 ! assign ( resid 116 and name hd1# ) ( resid 139 and name hb# ) 3.50 1.70 1.00 !139ccnoe3/18 assign ( resid 116 and name hd1# ) ( resid 139 and name ha ) 5.00 3.20 0.50 !116ccnoe3/19 assign ( resid 116 and name hg2# ) ( resid 141 and name ha ) 5.00 3.20 0.50 !141ccnoe assign ( resid 116 and name hd1# ) ( resid 141 and name hg2# ) 2.70 0.90 1.00 !141ccnoe assign ( resid 116 and name hd1# ) ( resid 141 and name hg1# ) 5.00 3.20 1.00 !141ccnoe assign ( resid 116 and name hg2# ) ( resid 141 and name hg2# ) 3.50 1.70 1.00 !141ccnoe assign ( resid 116 and name hg2# ) ( resid 141 and name hg1# ) 3.50 1.70 1.00 !141ccnoe assign ( resid 116 and name hg2# ) ( resid 142 and name hn ) 5.00 3.20 0.50 !116hc8/15 !VAL117 assign ( resid 117 and name ha ) ( resid 118 and name hn ) 2.70 0.90 0.00 ! 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assign ( resid 126 and name hn ) ((resid 128 and name hd1 ) or ( resid 128 and name hd2 )) 5.00 3.20 0.30 ! assign ( resid 126 and name ha ) ((resid 133 and name hd1 ) or ( resid 133 and name hd2 )) 5.00 3.20 0.30 !ccnoe11/20 assign ((resid 126 and name hg1 ) or ( resid 126 and name hg2 )) ((resid 133 and name hd1 ) or ( resid 133 and name hd2 )) 5.00 3.20 0.60 !ccnoe11/20 !GLU127 assign ( resid 127 and name hn ) ( resid 128 and name hn ) 3.50 1.70 0.00 ! assign ( resid 127 and name hn ) ((resid 128 and name hd1 ) or ( resid 128 and name hd2 )) 3.50 1.70 0.30 !hhnoe !TYR128 assign ( resid 128 and name ha ) ((resid 128 and name hd1 ) or ( resid 128 and name hd2 )) 3.50 1.70 0.30 !fix the ring conformation assign ( resid 128 and name ha ) ((resid 128 and name he1 ) or ( resid 128 and name he2 )) 3.50 1.70 0.30 !fix the ring conformation assign ((resid 128 and name hb1 ) or ( resid 128 and name hb2 )) ( resid 131 and name hn ) 3.50 1.70 0.30 !hhnnoe12/08 assign ((resid 128 and name hb1 ) or ( resid 128 and name hb2 )) ( resid 132 and name hg1# ) 3.50 1.70 0.80 !132ccnoe11/26 tightened assign ((resid 128 and name hb1 ) or ( resid 128 and name hb2 )) ( resid 132 and name hg2# ) 3.50 1.70 0.80 !132ccnoe10/3 2/26/17 tightened assign ((resid 128 and name he1 ) or ( resid 128 and name he2 )) ( resid 132 and name hg2# ) 5.00 3.20 0.80 ! assign ((resid 128 and name he1 ) or ( resid 128 and name he2 )) ( resid 132 and name hg1# ) 5.00 3.20 0.80 ! assign ((resid 128 and name hd1 ) or ( resid 128 and name hd2 )) ( resid 132 and name hg1# ) 3.50 1.70 0.80 !hhcnoe ov with 143hz 2/26/17 tightened assign ((resid 128 and name hd1 ) or ( resid 128 and name hd2 )) ( resid 132 and name hg2# ) 3.50 1.70 0.80 !2/26/17 tightened assign ( resid 128 and name ha ) ( resid 132 and name hn ) 5.00 3.20 0.00 !hhnNOE 01/31/17 assign ((resid 128 and name hb1 ) or ( resid 128 and name hb2 )) ( resid 132 and name hn ) 5.00 3.20 0.30 !hhnNOE 01/31/17 assign ( resid 128 and name hn ) ( resid 128 and name hb2 ) 2.70 0.90 0.00 !add 02/17/17 !GLY129 assign ((resid 129 and name ha1 ) or ( resid 129 and name ha2 )) ( resid 132 and name hg2# ) 5.00 3.20 0.80 !132ccnoe10/3 !PHE130 assign ( resid 130 and name ha ) ( resid 133 and name hn ) 5.00 3.20 0.00 !hhnoe !LEU131 assign ( resid 131 and name hn ) ( resid 132 and name hn ) 3.50 1.70 0.00 !hhnnoe8/15,can be deleted assign ( resid 131 and name ha ) ( resid 134 and name hn ) 5.00 3.20 0.00 !hhnoe9/8 assign ( resid 131 and name ha ) ( resid 135 and name hd1# ) 5.00 3.20 0.50 !hhcnoe9/8 assign ( resid 131 and name hd2# ) ( resid 138 and name hg2# ) 5.00 3.20 1.00 !cc8/15 assign ( resid 131 and name hd1# ) ( resid 138 and name hg2# ) 5.00 3.20 1.00 !cc8/15 !VAL132 assign ( resid 132 and name hn ) ( resid 133 and name hn ) 2.70 0.90 0.00 ! assign ( resid 132 and name ha ) ( resid 135 and name hn ) 3.50 1.70 0.00 !hhnnoe9/8 assign ( resid 132 and name ha ) ( resid 135 and name hd1# ) 3.50 1.70 0.50 !cc/hc9/8 assign ( resid 132 and name hg1# ) ((resid 143 and name he1 ) or ( resid 143 and name he2 )) 3.50 1.70 0.80 !hc8/15,can be relaxed assign ( resid 132 and name hg1# ) ( resid 143 and name hz ) 3.50 1.70 0.50 !hc8/15,can be relaxed !ARG133 assign ( resid 133 and name hn ) ( resid 134 and name hn ) 3.50 1.70 0.00 ! assign ( resid 133 and name ha ) ( resid 136 and name hn ) 5.00 3.20 0.00 !hhnnoe9/8 assign ( resid 133 and name ha ) ((resid 143 and name he1 ) or ( resid 143 and name he2 )) 3.50 1.70 0.30 !hhcnoe assign ( resid 133 and name ha ) ( resid 143 and name hz ) 3.50 1.70 0.00 !hhcone !GLY134 assign ( resid 134 and name hn ) ( resid 135 and name hn ) 3.50 1.70 0.00 ! assign ((resid 134 and name ha1 ) or ( resid 134 and name ha2 )) ( resid 137 and name hn ) 5.00 3.20 0.30 !hhnnoe9/8 assign ((resid 134 and name ha1 ) or ( resid 134 and name ha2 )) ( resid 137 and name hg2# ) 3.50 1.70 0.80 !ccnoe9/8 assign ((resid 134 and name ha1 ) or ( resid 134 and name ha2 )) ( resid 138 and name hg2# ) 5.00 3.20 0.80 !ccnoe2/9 !LEU135 assign ( resid 135 and name hn ) ( resid 136 and name hn ) 2.70 0.90 0.00 !hhnoe,12/26 assign ( resid 135 and name hn ) ( resid 143 and name hz ) 3.50 1.70 0.00 !hhnoe assign ( resid 135 and name ha ) ( resid 137 and name hg2# ) 5.00 3.20 0.50 !ccnoe8/15 assign ( resid 135 and name ha ) ( resid 138 and name hn ) 3.50 1.70 0.00 !hhnnoe8/15 assign ( resid 135 and name ha ) ( resid 139 and name hn ) 3.50 1.70 0.00 !hhnnoe8/15 assign ( resid 135 and name ha ) ( resid 138 and name hg1# ) 5.00 3.20 0.50 !ccnoe assign ( resid 135 and name ha ) ( resid 138 and name hg2# ) 3.50 1.70 0.50 !ccnoe assign ( resid 135 and name ha ) ( resid 139 and name hb# ) 5.00 3.20 0.50 !ccnoe8/15 assign ((resid 135 and name hb1 ) or ( resid 135 and name hb2 )) ( resid 141 and name hg2# ) 5.00 3.20 0.80 !141cc8/15 assign ( resid 135 and name hd1# ) ( resid 138 and name hn ) 5.00 3.20 0.50 !can be sd assign ( resid 135 and name hd1# ) ( resid 138 and name hg2# ) 3.50 1.70 1.00 ! assign ( resid 135 and name hd2# ) ( resid 138 and name hg2# ) 5.00 3.20 1.00 ! assign ( resid 135 and name hd1# ) ( resid 139 and name hb# ) 5.00 3.20 1.00 ! assign ( resid 135 and name hd2# ) ( resid 139 and name hb# ) 5.00 3.20 1.00 ! assign ( resid 135 and name hd1# ) ( resid 141 and name hg2# ) 3.50 1.70 1.00 !cc/hc8/15 assign ( resid 135 and name hd2# ) ( resid 141 and name hg2# ) 5.00 3.20 1.00 !cc/hc8/15 assign ( resid 135 and name hd2# ) ( resid 141 and name hg1# ) 5.00 3.20 1.00 !cc/hc8/15 assign ( resid 135 and name hd1# ) ( resid 141 and name hg1# ) 3.50 1.70 1.00 !cc/hc8/15 assign ( resid 135 and name hd2# ) ( resid 143 and name hz ) 5.00 3.20 0.50 ! assign ( resid 135 and name hd2# ) ((resid 143 and name he1 ) or ( resid 143 and name he2 )) 5.00 3.20 0.80 ! !GLY136 assign ( resid 136 and name hn ) ( resid 137 and name hn ) 2.70 0.90 0.00 ! assign ( resid 136 and name hn ) ( resid 139 and name hn ) 5.00 3.20 0.00 !relaxed,12/26 assign ( resid 136 and name hn ) ( resid 137 and name hg2# ) 3.50 1.70 0.50 ! assign ( resid 136 and name hn ) ( resid 141 and name hg2# ) 3.50 1.70 0.50 ! assign ( resid 136 and name hn ) ( resid 141 and name hg1# ) 3.50 1.70 0.50 !hhnoe,12/26 assign ( resid 136 and name hn ) ( resid 143 and name hz ) 3.50 1.70 0.00 !hhnoe assign ( resid 136 and name hn ) ((resid 143 and name he1 ) or ( resid 143 and name he2 )) 3.50 1.70 0.30 !hhnoe,12/26 assign ((resid 136 and name ha1 ) or ( resid 136 and name ha2 )) ( resid 137 and name hg2# ) 5.00 3.20 0.80 ! assign ((resid 136 and name ha1 ) or ( resid 136 and name ha2 )) ( resid 141 and name hg1# ) 5.00 3.20 0.80 !cnoe/12/23 assign ((resid 136 and name ha1 ) or ( resid 136 and name ha2 )) ( resid 141 and name hg2# ) 3.50 1.70 0.80 !cnoe/12/23 !THR137 assign ( resid 137 and name hn ) ( resid 138 and name hn ) 2.70 0.90 0.00 ! assign ( resid 137 and name hg2# ) ( resid 138 and name ha ) 5.00 3.20 0.50 !138ov74 assign ( resid 137 and name hg2# ) ( resid 138 and name hg1# ) 3.50 1.70 1.00 ! !VAL138 assign ( resid 138 and name hn ) ( resid 139 and name hn ) 2.70 0.90 0.00 ! assign ( resid 138 and name hn ) ( resid 141 and name hg2# ) 5.00 3.20 0.50 ! assign ( resid 138 and name hg2# ) ( resid 141 and name hg2# ) 5.00 3.20 1.00 !ccnoe,hhcnoe,12/26 !ALA139 assign ( resid 139 and name hn ) ( resid 141 and name hg2# ) 3.50 1.70 0.50 !hhnoe,12/26 assign ( resid 139 and name hn ) ( resid 141 and name hg1# ) 5.00 3.20 0.50 ! assign ( resid 139 and name ha ) ( resid 140 and name hn ) 2.70 0.90 0.00 !hhnoe,12/26 assign ( resid 139 and name ha ) ( resid 167 and name hg1# ) 5.00 3.20 0.50 !ccnoe,12/26 assign ( resid 139 and name ha ) ( resid 167 and name hg2# ) 5.00 3.20 0.50 !ccnoe/12/26 assign ( resid 139 and name hb# ) ( resid 141 and name hg1# ) 5.00 3.20 1.00 !hhcnoe,12/26 assign ( resid 139 and name hb# ) ( resid 141 and name hg2# ) 2.70 0.90 1.00 !hhcnoe,12/26 !ALA140 assign ( resid 140 and name ha ) ( resid 141 and name hn ) 2.70 0.90 0.00 ! assign ( resid 140 and name ha ) ( resid 141 and name hg2# ) 5.00 3.20 0.50 !141cc8/15 assign ( resid 140 and name ha ) ( resid 167 and name hg2# ) 5.00 3.20 0.50 ! assign ( resid 140 and name hb# ) ( resid 163 and name ha ) 5.00 3.20 0.50 !163cc8/15 assign ( resid 140 and name hb# ) ( resid 163 and name hg2# ) 3.50 1.70 1.00 !ccnoe assign ( resid 140 and name hb# ) ((resid 166 and name hg1 ) or ( resid 166 and name hg2 )) 3.50 1.70 0.80 !ccnoe,hhcnoe12/26 assign ( resid 140 and name hb# ) ((resid 166 and name hd1 ) or ( resid 166 and name hd2 )) 3.50 1.70 0.80 !ccnoe,hhcnoe12/26 assign ( resid 140 and name hb# ) ( resid 167 and name ha ) 5.00 3.20 0.50 ! assign ( resid 140 and name hb# ) ( resid 167 and name hg2# ) 2.70 0.90 1.00 ! assign ( resid 140 and name hb# ) ( resid 167 and name hg1# ) 3.50 1.70 1.00 ! !VAL141 assign ( resid 141 and name ha ) ( resid 142 and name hn ) 2.70 0.90 0.00 !mdf 12/23 assign ( resid 141 and name ha ) ( resid 163 and name hg2# ) 5.00 3.20 0.50 !163hc8/15 assign ( resid 141 and name hg1# ) ( resid 142 and name hn ) 2.70 0.90 0.50 ! assign ( resid 141 and name hg1# ) ((resid 143 and name hd1 ) or ( resid 143 and name hd2 )) 3.50 1.70 0.80 ! assign ( resid 141 and name hg1# ) ((resid 143 and name he1 ) or ( resid 143 and name he2 )) 3.50 1.70 0.80 ! assign ( resid 141 and name hg1# ) ( resid 143 and name hz ) 3.50 1.70 0.50 ! !GLU142 assign ( resid 142 and name ha ) ( resid 143 and name hn ) 2.70 0.90 0.00 ! assign ( resid 142 and name ha ) ( resid 159 and name hb# ) 5.00 3.20 0.50 !cc8/15,sp through bg(no h assig) assign ((resid 142 and name hb1 ) or ( resid 142 and name hb2 )) ( resid 163 and name hg2# ) 3.50 1.70 0.80 !163cc8/15 assign ((resid 142 and name hg1 ) or ( resid 142 and name hg2 )) ( resid 163 and name hg2# ) 5.00 3.20 0.80 !163cc8/15 assign ((resid 142 and name hb1 ) or ( resid 142 and name hb2 )) ( resid 163 and name hg1# ) 5.00 3.20 0.80 !163cc8/15 !PHE143 assign ( resid 143 and name ha ) ( resid 144 and name hn ) 2.70 0.90 0.00 !mdf 12/23 143hhcnoe assign ( resid 143 and name ha ) ( resid 144 and name hg2# ) 3.50 1.70 0.50 !cc8/15 assign ((resid 143 and name hd1 ) or ( resid 143 and name hd2 )) ( resid 144 and name hn ) 3.50 1.70 0.30 !modified 12/23 !VAL144 assign ( resid 144 and name ha ) ( resid 145 and name hn ) 2.70 0.90 0.00 ! assign ( resid 144 and name hg1# ) ( resid 145 and name hn ) 2.70 0.90 0.50 ! assign ( resid 144 and name hg1# ) ( resid 146 and name ha ) 5.00 3.20 0.50 !ccnoe assign ( resid 144 and name hg1# ) ((resid 146 and name hd1 ) or ( resid 146 and name hd2 )) 3.50 1.70 0.80 !hhcnoe assign ( resid 144 and name hg1# ) ((resid 146 and name he1 ) or ( resid 146 and name he2 )) 5.00 3.20 0.80 !hhcnoe assign ( resid 144 and name hg1# ) ( resid 152 and name ha ) 5.00 3.20 0.50 !ccnoe assign ( resid 144 and name hg1# ) ( resid 155 and name hn ) 5.00 3.20 0.50 !hhnnoe 12/23 assign ( resid 144 and name hg2# ) ( resid 155 and name hn ) 5.00 3.20 0.50 !hhnnoe 12/23 assign ( resid 144 and name hg1# ) ( resid 155 and name ha ) 5.00 3.20 0.50 !c13noe relaxed 12/23 assign ( resid 144 and name hg2# ) ( resid 155 and name ha ) 5.00 3.20 0.50 ! assign ( resid 144 and name hg1# ) ((resid 155 and name hg1 ) or ( resid 155 and name hg2 )) 2.70 0.90 0.80 !c13noe assign ( resid 144 and name hg2# ) ((resid 155 and name hg1 ) or ( resid 155 and name hg2 )) 2.70 0.90 0.80 !c13noe assign ( resid 144 and name hg2# ) ((resid 155 and name hb1 ) or ( resid 155 and name hb2 )) 3.50 1.70 0.80 ! assign ( resid 144 and name hg1# ) ( resid 156 and name hn ) 5.00 3.20 0.50 !hhnnoe 12/23 assign ( resid 144 and name hg1# ) ( resid 156 and name ha ) 5.00 3.20 0.50 !ccnoe assign ( resid 144 and name hg2# ) ( resid 156 and name ha ) 3.50 1.70 0.50 !ccnoe assign ( resid 144 and name hg2# ) ( resid 156 and name hd1# ) 3.50 1.70 1.00 !ccnoe 12/23 assign ( resid 144 and name hg2# ) ( resid 159 and name hb# ) 3.50 1.70 1.00 !144ccnoe !HIS145 assign ( resid 145 and name ha ) ( resid 146 and name hn ) 2.70 0.90 0.00 ! assign ( resid 145 and name ha ) ((resid 146 and name hd1 ) or ( resid 146 and name hd2 )) 5.00 3.20 0.30 !hhcnoe !TYR146 assign ( resid 146 and name ha ) ( resid 152 and name hb# ) 3.50 1.70 0.50 !hhcnoe assign ( resid 146 and name ha ) ( resid 149 and name hd1# ) 5.00 3.20 0.50 !ccnoe assign ((resid 146 and name hb1 ) or ( resid 146 and name hb2 )) ( resid 152 and name hb# ) 3.50 1.70 0.80 !ccnoe8/15 assign ((resid 146 and name hd1 ) or ( resid 146 and name hd2 )) ( resid 147 and name ha ) 5.00 3.20 0.30 ! assign ((resid 146 and name he1 ) or ( resid 146 and name he2 )) ( resid 147 and name ha ) 5.00 3.20 0.30 ! assign ((resid 146 and name hd1 ) or ( resid 146 and name hd2 )) ( resid 148 and name ha ) 5.00 3.20 0.30 !hhcnoe assign ((resid 146 and name hd1 ) or ( resid 146 and name hd2 )) ( resid 149 and name ha ) 5.00 3.20 0.30 !hhcnoe assign ((resid 146 and name hd1 ) or ( resid 146 and name hd2 )) ( resid 149 and name hd1# ) 3.50 1.70 0.80 ! assign ((resid 146 and name he1 ) or ( resid 146 and name he2 )) ( resid 149 and name hd1# ) 3.50 1.70 0.80 ! assign ((resid 146 and name hd1 ) or ( resid 146 and name hd2 )) ( resid 152 and name ha ) 5.00 3.20 0.30 !hhcnoe assign ((resid 146 and name hd1 ) or ( resid 146 and name hd2 )) ( resid 152 and name hb# ) 3.50 1.70 0.80 !hhcnoe assign ((resid 146 and name he1 ) or ( resid 146 and name he2 )) ( resid 152 and name hb# ) 5.00 3.20 0.80 !hhcnoe !LYS147 assign ((resid 147 and name hb1 ) or ( resid 147 and name hb2 )) ((resid 148 and name hb1 ) or ( resid 148 and name hb2 )) 5.00 3.20 0.60 !hc/cc8/15 assign ((resid 147 and name hb1 ) or ( resid 147 and name hb2 )) ( resid 151 and name hd1# ) 5.00 3.20 0.80 !hc/cc8/15 assign ((resid 147 and name hb1 ) or ( resid 147 and name hb2 )) ( resid 151 and name hd2# ) 5.00 3.20 0.80 !hc8/15 assign ((resid 147 and name he1 ) or ( resid 147 and name he2 )) ( resid 151 and name hd1# ) 5.00 3.20 0.80 !hc/cc8/15 !ASP148 assign ( resid 148 and name ha ) ( resid 149 and name hn ) 2.70 0.90 0.00 ! assign ((resid 148 and name hb1 ) or ( resid 148 and name hb2 )) ( resid 150 and name hn ) 3.50 1.70 0.30 ! assign ((resid 148 and name hb1 ) or ( resid 148 and name hb2 )) ( resid 150 and name hb# ) 5.00 3.20 0.80 !ccnoe8/15 assign ((resid 148 and name hb1 ) or ( resid 148 and name hb2 )) ( resid 151 and name hd1# ) 2.70 0.90 0.80 ! assign ((resid 148 and name hb1 ) or ( resid 148 and name hb2 )) ( resid 151 and name hd2# ) 3.50 1.70 0.80 ! !ILE149 assign ( resid 149 and name hn ) ( resid 150 and name hn ) 2.70 0.90 0.00 ! assign ( resid 149 and name hg2# ) ( resid 150 and name hn ) 2.70 0.90 0.50 ! assign ( resid 149 and name hg2# ) ( resid 150 and name ha ) 5.00 3.20 0.50 !ccnoe assign ( resid 149 and name hg2# ) ( resid 150 and name hb# ) 5.00 3.20 1.00 !hhcnoe assign ( resid 149 and name ha ) ( resid 152 and name hb# ) 3.50 1.70 0.50 !ccnoe assign ( resid 149 and name ha ) ( resid 152 and name hn ) 5.00 3.20 0.00 !hhnnoe8/15 assign ( resid 149 and name hd1# ) ( resid 152 and name hn ) 5.00 3.20 0.50 !hhnnoe8/15 assign ( resid 149 and name hd1# ) ( resid 152 and name hb# ) 3.50 1.70 1.00 ! assign ( resid 149 and name hg2# ) ( resid 152 and name hb# ) 3.50 1.70 1.00 !hhcnoe assign ( resid 149 and name hg2# ) ( resid 152 and name hn ) 3.50 1.70 0.50 !hhnnoe8/15 assign ( resid 149 and name hg2# ) ( resid 153 and name hn ) 3.50 1.70 0.50 !hhnnoe8/15 assign ( resid 149 and name hg2# ) ((resid 153 and name he1 ) or ( resid 153 and name he2 )) 5.00 3.20 0.80 !ccnoe assign ( resid 149 and name hd1# ) ((resid 153 and name he1 ) or ( resid 153 and name he2 )) 5.00 3.20 0.80 !ccnoe8/15 assign ( resid 149 and name hd1# ) ( resid 156 and name hd1# ) 5.00 3.20 1.00 !overlaps w 93.mg assign ( resid 149 and name hd1# ) ( resid 156 and name hg2# ) 5.00 3.20 1.00 !hc8/15 !ALA150 assign ( resid 150 and name hn ) ( resid 151 and name hn ) 2.70 0.90 0.00 ! assign ( resid 150 and name hn ) ( resid 152 and name hn ) 5.00 3.20 0.00 ! assign ( resid 150 and name ha ) ( resid 153 and name hn ) 5.00 3.20 0.00 ! assign ( resid 150 and name ha ) ((resid 153 and name he1 ) or ( resid 153 and name he2 )) 3.50 1.70 0.30 ! assign ( resid 150 and name ha ) ((resid 153 and name hd1 ) or ( resid 153 and name hd2 )) 3.50 1.70 0.30 ! assign ( resid 150 and name hb# ) ( resid 151 and name hd2# ) 5.00 3.20 1.00 ! assign ( resid 150 and name hb# ) ( resid 151 and name hd1# ) 5.00 3.20 1.00 ! !LEU151 assign ( resid 151 and name hn ) ( resid 152 and name hn ) 2.70 0.90 0.00 ! assign ( resid 151 and name hn ) ( resid 153 and name hn ) 5.00 3.20 0.00 ! assign ( resid 151 and name ha ) ( resid 152 and name hn ) 3.50 1.70 0.00 ! assign ( resid 151 and name hd2# ) ((resid 154 and name hd1 ) or ( resid 154 and name hd2 )) 5.00 3.20 0.80 !hc8/15 !ALA152 assign ( resid 152 and name hn ) ( resid 153 and name hn ) 2.70 0.90 0.00 ! assign ( resid 152 and name ha ) ( resid 155 and name hn ) 3.50 1.70 0.00 ! assign ( resid 152 and name ha ) ( resid 156 and name hn ) 5.00 3.20 0.00 ! assign ( resid 152 and name ha ) ((resid 155 and name hb1 ) or ( resid 155 and name hb2 )) 3.50 1.70 0.30 !ccnoe assign ( resid 152 and name ha ) ((resid 155 and name hg1 ) or ( resid 155 and name hg2 )) 3.50 1.70 0.30 !ccnoe assign ( resid 152 and name ha ) ( resid 156 and name hd1# ) 5.00 3.20 0.50 !hc/ccnoe8/15 assign ( resid 152 and name hb# ) ( resid 156 and name hd1# ) 5.00 3.20 1.00 ! !LYS153 assign ( resid 153 and name hn ) ( resid 155 and name hn ) 5.00 3.20 0.00 ! assign ( resid 153 and name hn ) ((resid 154 and name hd1 ) or ( resid 154 and name hd2 )) 3.50 1.70 0.30 ! assign ( resid 153 and name ha ) ( resid 156 and name hn ) 5.00 3.20 0.00 ! assign ( resid 153 and name ha ) ( resid 157 and name hn ) 5.00 3.20 0.00 !8/15 assign ( resid 153 and name ha ) ( resid 156 and name hd1# ) 3.50 1.70 0.50 !can be relaxed assign ( resid 153 and name ha ) ( resid 156 and name hg2# ) 5.00 3.20 0.50 ! !PRO154 assign ( resid 154 and name ha ) ( resid 155 and name hn ) 3.50 1.70 0.00 ! assign ( resid 154 and name ha ) ( resid 157 and name hn ) 3.50 1.70 0.00 !8/15 assign ( resid 154 and name ha ) ( resid 158 and name hn ) 5.00 3.20 0.00 !8/15 assign ( resid 154 and name ha ) ((resid 157 and name hb1 ) or ( resid 157 and name hb2 )) 3.50 1.70 0.30 !ccnoe !GLN155 assign ( resid 155 and name hn ) ( resid 156 and name hn ) 2.70 0.90 0.00 ! assign ( resid 155 and name hn ) ( resid 157 and name hn ) 5.00 3.20 0.00 ! assign ( resid 155 and name ha ) ( resid 156 and name hn ) 3.50 1.70 0.00 ! assign ( resid 155 and name ha ) ( resid 158 and name hn ) 3.50 1.70 0.00 !8/15 assign ( resid 155 and name ha ) ( resid 159 and name hn ) 5.00 3.20 0.00 !8/15 assign ( resid 155 and name ha ) ( resid 158 and name hb# ) 3.50 1.70 0.50 !ccnoe !ILE156 assign ( resid 156 and name hn ) ( resid 157 and name hn ) 2.70 0.90 0.00 ! assign ( resid 156 and name hn ) ( resid 158 and name hn ) 5.00 3.20 0.00 ! assign ( resid 156 and name ha ) ( resid 159 and name hn ) 5.00 3.20 0.00 ! assign ( resid 156 and name ha ) ( resid 159 and name hb# ) 3.50 1.70 0.50 !ccnoe can be relax assign ( resid 156 and name hg2# ) ( resid 160 and name hd1# ) 2.70 0.90 1.00 !hhcnoe assign ( resid 156 and name hd1# ) ( resid 160 and name hd1# ) 3.50 1.70 1.00 !hhcnoe !ASP157 assign ( resid 157 and name hn ) ( resid 158 and name hn ) 2.70 0.90 0.00 ! assign ( resid 157 and name hn ) ( resid 159 and name hn ) 5.00 3.20 0.00 ! assign ( resid 157 and name ha ) ( resid 160 and name hn ) 3.50 1.70 0.00 !hhnoe8/15 assign ( resid 157 and name ha ) ( resid 161 and name hn ) 5.00 3.20 0.00 !hhnnoe8/15 assign ( resid 157 and name ha ) ( resid 160 and name hb ) 3.50 1.70 0.00 ! assign ( resid 157 and name ha ) ( resid 160 and name hd1# ) 5.00 3.20 0.50 !ccnoe assign ( resid 157 and name ha ) ( resid 160 and name hg2# ) 5.00 3.20 0.50 !ccnoe,hhcnoe !ALA158 assign ( resid 158 and name hn ) ( resid 159 and name hn ) 2.70 0.90 0.00 ! assign ( resid 158 and name hn ) ( resid 160 and name hn ) 5.00 3.20 0.00 ! assign ( resid 158 and name ha ) ( resid 161 and name hn ) 3.50 1.70 0.00 ! assign ( resid 158 and name ha ) ((resid 161 and name hb1 ) or ( resid 161 and name hb2 )) 3.50 1.70 0.30 !ccnoe assign ( resid 158 and name ha ) ((resid 161 and name hg1 ) or ( resid 161 and name hg2 )) 3.50 1.70 0.30 !ccnoe assign ( resid 158 and name ha ) ((resid 161 and name hd1 ) or ( resid 161 and name hd2 )) 5.00 3.20 0.30 !ccnoe assign ( resid 158 and name hb# ) ((resid 161 and name hb1 ) or ( resid 161 and name hb2 )) 5.00 3.20 0.80 !ccnoe assign ( resid 158 and name hb# ) ((resid 161 and name hd1 ) or ( resid 161 and name hd2 )) 5.00 3.20 0.80 ! assign ( resid 158 and name hb# ) ((resid 162 and name he1 ) or ( resid 162 and name he2 )) 5.00 3.20 0.80 !ccnoe !ALA159 assign ( resid 159 and name hn ) ( resid 160 and name hn ) 2.70 0.90 0.00 ! assign ( resid 159 and name ha ) ((resid 162 and name hb1 ) or ( resid 162 and name hb2 )) 3.50 1.70 0.30 !ccnoe assign ( resid 159 and name ha ) ((resid 162 and name hd1 ) or ( resid 162 and name hd2 )) 3.50 1.70 0.30 !ccnoe assign ( resid 159 and name ha ) ((resid 162 and name he1 ) or ( resid 162 and name he2 )) 5.00 3.20 0.30 ! assign ( resid 159 and name ha ) ((resid 162 and name hg1 ) or ( resid 162 and name hg2 )) 5.00 3.20 0.30 ! !ILE160 assign ( resid 160 and name hn ) ( resid 161 and name hn ) 2.70 0.90 0.00 ! assign ( resid 160 and name hn ) ( resid 162 and name hn ) 5.00 3.20 0.00 ! assign ( resid 160 and name ha ) ( resid 163 and name hn ) 5.00 3.20 0.00 !hhnnoe8/15 assign ( resid 160 and name ha ) ( resid 163 and name hg1# ) 3.50 1.70 0.50 !cc/hc8/15 assign ( resid 160 and name hg2# ) ( resid 161 and name ha ) 5.00 3.20 0.50 ! assign ( resid 160 and name hg2# ) ( resid 163 and name hg1# ) 5.00 3.20 1.00 !ccnoe assign ( resid 160 and name hg2# ) ( resid 164 and name hg2# ) 3.50 1.70 1.00 !ccnoe !ARG161 assign ( resid 161 and name hn ) ( resid 162 and name hn ) 2.70 0.90 0.00 ! assign ( resid 161 and name hn ) ( resid 163 and name hn ) 5.00 3.20 0.00 ! assign ( resid 161 and name ha ) ( resid 164 and name hn ) 3.50 1.70 0.00 !hhnoe8/15 assign ( resid 161 and name ha ) ( resid 165 and name hn ) 5.00 3.20 0.00 !hhnnoe8/15 assign ( resid 161 and name ha ) ( resid 164 and name hg1# ) 5.00 3.20 0.50 ! assign ( resid 161 and name ha ) ( resid 164 and name hg2# ) 3.50 1.70 0.50 !can be relaxed !LYS162 assign ( resid 162 and name hn ) ( resid 163 and name hn ) 2.70 0.90 0.00 ! assign ( resid 162 and name ha ) ( resid 165 and name hn ) 3.50 1.70 0.00 !hhnoe8/15 assign ( resid 162 and name ha ) ((resid 165 and name hb1 ) or ( resid 165 and name hb2 )) 3.50 1.70 0.30 ! assign ((resid 162 and name he1 ) or ( resid 162 and name he2 )) ( resid 163 and name hg2# ) 5.00 3.20 0.80 !163cc8/15 !VAL163 assign ( resid 163 and name hn ) ( resid 164 and name hn ) 3.50 1.70 0.00 ! assign ( resid 163 and name hn ) ( resid 165 and name hn ) 5.00 3.20 0.00 ! assign ( resid 163 and name ha ) ( resid 166 and name hn ) 3.50 1.70 0.00 !hhnnoe8/15 assign ( resid 163 and name ha ) ((resid 166 and name hb1 ) or ( resid 166 and name hb2 )) 3.50 1.70 0.30 !ccnoe8/15 assign ( resid 163 and name ha ) ((resid 166 and name hd1 ) or ( resid 166 and name hd2 )) 3.50 1.70 0.30 !ccnoe8/15 assign ( resid 163 and name hg2# ) ((resid 166 and name hd1 ) or ( resid 166 and name hd2 )) 3.50 1.70 0.80 !163hc/cc8/15 !VAL164 assign ( resid 164 and name hn ) ( resid 165 and name hn ) 2.70 0.90 0.00 ! assign ( resid 164 and name ha ) ( resid 167 and name hn ) 3.50 1.70 0.00 !hhnnoe8/15 assign ( resid 164 and name ha ) ( resid 168 and name hn ) 5.00 3.20 0.00 !hhnnoe8/15 assign ( resid 164 and name ha ) ( resid 167 and name hb ) 5.00 3.20 0.00 !ccnoe8/15 assign ( resid 164 and name ha ) ( resid 167 and name hg2# ) 3.50 1.70 0.50 !ccnoe8/15 !ASP165 assign ( resid 165 and name hn ) ( resid 166 and name hn ) 2.70 0.90 0.00 ! assign ( resid 165 and name ha ) ( resid 168 and name hn ) 3.50 1.70 0.00 !hhnnoe8/15 assign ( resid 165 and name ha ) ( resid 169 and name hn ) 5.00 3.20 0.00 !hhnnoe8/15 assign ( resid 165 and name ha ) ((resid 168 and name hb1 ) or ( resid 168 and name hb2 )) 3.50 1.70 0.30 !ccnoe8/15 !ARG166 assign ( resid 166 and name hn ) ( resid 167 and name hn ) 2.70 0.90 0.00 ! assign ( resid 166 and name ha ) ( resid 169 and name hn ) 5.00 3.20 0.00 !hhnnoe8/15 assign ((resid 166 and name hb1 ) or ( resid 166 and name hb2 )) ( resid 167 and name hg2# ) 5.00 3.20 0.80 ! assign ((resid 166 and name hd1 ) or ( resid 166 and name hd2 )) ( resid 167 and name hg2# ) 3.50 1.70 0.80 ! !VAL167 assign ( resid 167 and name hn ) ( resid 168 and name hn ) 2.70 0.90 0.00 ! assign ( resid 167 and name hg1# ) ((resid 168 and name hb1 ) or ( resid 168 and name hb2 )) 3.50 1.70 0.80 ! # Restraints file 2: noeB_38.tbl !GLY214 assign ( resid 214 and name hn ) ( resid 215 and name hn ) 2.70 0.90 0.00 ! assign ( resid 214 and name hn ) ( resid 255 and name hd2# ) 5.00 3.20 0.50 ! assign ((resid 214 and name ha1 ) or ( resid 214 and name ha2 )) ( resid 215 and name hg2# ) 3.50 1.70 0.80 !15ccnoe11/26 !VAL215 assign ( resid 215 and name ha ) ( resid 216 and name hn ) 2.70 0.90 0.00 ! assign ( resid 215 and name hn ) ( resid 215 and name hb ) 2.70 0.90 0.00 ! assign ( resid 215 and name ha ) ( resid 217 and name hn ) 3.50 1.70 0.00 !can be relaxed assign ( resid 215 and name hn ) ( resid 255 and name hd2# ) 5.00 3.20 0.50 ! assign ( resid 215 and name ha ) ((resid 288 and name hb1 ) or ( resid 288 and name hb2 )) 5.00 3.20 0.30 !15ccnoe12/26 assign ( resid 215 and name hb ) ( resid 255 and name hd2# ) 3.50 1.70 0.50 !55ccnoe2/2 assign ( resid 215 and name hg1# ) ( resid 217 and name hn ) 2.70 0.90 0.50 ! assign ( resid 215 and name hg1# ) ( resid 217 and name ha ) 5.00 3.20 0.50 !ccnoe12/26 assign ( resid 215 and name hg1# ) ((resid 250 and name hd1 ) or ( resid 250 and name hd2 )) 5.00 3.20 0.80 !hhcnoe12/26 assign ( resid 215 and name hg1# ) ((resid 250 and name he1 ) or ( resid 250 and name he2 )) 5.00 3.20 0.80 !hhcnoe12/26 assign ( resid 215 and name hg1# ) ( resid 250 and name hz ) 5.00 3.20 0.50 !hhcnoe12/26 assign ( resid 215 and name hg2# ) ((resid 250 and name hd1 ) or ( resid 250 and name hd2 )) 5.00 3.20 0.80 !hhcnoe12/26 assign ( resid 215 and name hg2# ) ((resid 250 and name he1 ) or ( resid 250 and name he2 )) 5.00 3.20 0.80 !hhcnoe12/26 assign ( resid 215 and name hg2# ) ( resid 250 and name hz ) 5.00 3.20 0.50 !hhcnoe11/26 assign ( resid 215 and name hg1# ) ( resid 255 and name hd2# ) 3.50 1.70 1.00 !hhcnoe12/26 assign ( resid 215 and name hg2# ) ( resid 255 and name hd2# ) 3.50 1.70 1.00 !55ccnoe2/2 assign ( resid 215 and name hg1# ) ((resid 288 and name hb1 ) or ( resid 288 and name hb2 )) 3.50 1.70 0.80 !ccnoe12/26 assign ( resid 215 and name hg1# ) ( resid 289 and name hg2# ) 2.70 0.90 1.00 !89ccnoe2/2 assign ( resid 215 and name hg1# ) ( resid 360 and name hg2# ) 3.50 1.70 1.00 !ccnoe12/26 assign ( resid 215 and name hg1# ) ( resid 360 and name hd1# ) 5.00 3.20 1.00 !ccnoe12/26 assign ( resid 215 and name hg2# ) ( resid 361 and name ha ) 3.50 1.70 0.50 !ccnoe11/26 assign ( resid 215 and name hg2# ) ((resid 361 and name hd1 ) or ( resid 361 and name hd2 )) 3.50 1.70 0.80 !ccnoe11/26 assign ( resid 215 and name hg1# ) ( resid 364 and name hg2# ) 3.50 1.70 1.00 !15ccnoe12/26 !ARG216 assign ( resid 216 and name hn ) ( resid 217 and name hn ) 2.70 0.90 0.00 ! assign ( resid 216 and name ha ) ( resid 217 and name hn ) 3.50 1.70 0.00 ! assign ( resid 216 and name hn ) ((resid 288 and name hb1 ) or ( resid 288 and name hb2 )) 5.00 3.20 0.30 ! assign ( resid 216 and name ha ) ( resid 255 and name hd2# ) 5.00 3.20 0.50 !hhcnoe12/26 assign ( resid 216 and name ha ) ( resid 256 and name hn ) 5.00 3.20 0.00 ! assign ((resid 216 and name hd1 ) or ( resid 216 and name hd2 )) ( resid 255 and name hd2# ) 3.50 1.70 0.80 !hh/ccnoe2/2 !SER217 assign ( resid 217 and name ha ) ( resid 218 and name hn ) 2.70 0.90 0.00 ! assign ( resid 217 and name hn ) ( resid 289 and name hn ) 5.00 3.20 0.00 ! assign ( resid 217 and name hn ) ( resid 255 and name hd2# ) 5.00 3.20 0.50 !relaxed12/26 assign ( resid 217 and name hn ) ((resid 288 and name hb1 ) or ( resid 288 and name hb2 )) 3.50 1.70 0.30 ! assign ( resid 217 and name ha ) ( resid 255 and name hd2# ) 5.00 3.20 0.50 !ccnoe2/2 16/16ca ov assign ( resid 217 and name ha ) ( resid 255 and name hd1# ) 5.00 3.20 0.50 !ccnoe2/2 assign ( resid 217 and name ha ) ( resid 256 and name hn ) 3.50 1.70 0.00 ! assign ( resid 217 and name ha ) ((resid 256 and name hb1 ) or ( resid 256 and name hb2 )) 3.50 1.70 0.30 !hhcnoe,12/26 assign ( resid 217 and name ha ) ( resid 257 and name hg2# ) 5.00 3.20 0.50 !ccne12/26 assign ((resid 217 and name hb1 ) or ( resid 217 and name hb2 )) ( resid 257 and name hg1# ) 5.00 3.20 0.80 !ccnoe12/26,can be relaxed assign ((resid 217 and name hb1 ) or ( resid 217 and name hb2 )) ( resid 257 and name hg2# ) 5.00 3.20 0.80 !ccnoe12/26,can be relaxed assign ( resid 217 and name ha ) ((resid 258 and name hd1 ) or ( resid 258 and name hd2 ) or ( resid 258 and name he1 ) or ( resid 258 and name he2 ) or ( resid 258 and name hz )) 5.00 3.20 1.50 !hhcnoe12/26 assign ((resid 217 and name hb1 ) or ( resid 217 and name hb2 )) ( resid 287 and name ha ) 5.00 3.20 0.30 !87hhcnoe12/26 assign ((resid 217 and name hb1 ) or ( resid 217 and name hb2 )) ( resid 287 and name hb# ) 5.00 3.20 0.80 !87hhcnoe12/26 !VAL218 assign ( resid 218 and name hn ) ( resid 255 and name hd2# ) 5.00 3.20 0.50 !12/26 assign ( resid 218 and name hn ) ( resid 255 and name ha ) 3.50 1.70 0.00 !12/26,can be relaxed assign ( resid 218 and name hn ) ( resid 256 and name hn ) 3.50 1.70 0.00 ! assign ( resid 218 and name hn ) ( resid 257 and name ha ) 5.00 3.20 0.00 ! assign ( resid 218 and name hn ) ( resid 257 and name hg2# ) 5.00 3.20 0.50 ! assign ( resid 218 and name hn ) ((resid 258 and name hd1 ) or ( resid 258 and name hd2 ) or ( resid 258 and name he1 ) or ( resid 258 and name he2 ) or ( resid 258 and name hz )) 3.50 1.70 1.50 ! assign ( resid 218 and name hn ) ( resid 287 and name hb# ) 5.00 3.20 0.50 !hhnnoe3/2 assign ( resid 218 and name ha ) ( resid 219 and name hn ) 2.70 0.90 0.00 ! assign ( resid 218 and name ha ) ( resid 257 and name ha ) 5.00 3.20 0.00 !57hhcnoe assign ( resid 218 and name ha ) ( resid 287 and name hb# ) 3.50 1.70 0.50 !2/17 assign ( resid 218 and name ha ) ( resid 288 and name hn ) 5.00 3.20 0.00 !hhnoe12/26 assign ( resid 218 and name ha ) ( resid 289 and name hn ) 3.50 1.70 0.00 ! assign ( resid 218 and name ha ) ( resid 289 and name hg1# ) 3.50 1.70 0.50 !ccnoe assign ( resid 218 and name hb ) ( resid 250 and name ha ) 5.00 3.20 0.00 !ccnoe assign ( resid 218 and name hb ) ( resid 257 and name ha ) 5.00 3.20 0.00 !18hhcnoe2/2 assign ( resid 218 and name hb ) ( resid 257 and name hg1# ) 5.00 3.20 0.50 !57ccnoe2/2 assign ( resid 218 and name hb ) ( resid 257 and name hg2# ) 5.00 3.20 0.50 ! assign ( resid 218 and name hb ) ( resid 289 and name hg1# ) 3.50 1.70 0.50 !ccnoe assign ( resid 218 and name hg1# ) ((resid 250 and name hb1 ) or ( resid 250 and name hb2 )) 5.00 3.20 0.80 !ccnoe12/26 assign ( resid 218 and name hg2# ) ((resid 250 and name hb1 ) or ( resid 250 and name hb2 )) 5.00 3.20 0.80 !ccnoe12/26 assign ( resid 218 and name hg1# ) ((resid 250 and name he1 ) or ( resid 250 and name he2 )) 3.50 1.70 0.80 ! assign ( resid 218 and name hg1# ) ((resid 250 and name hd1 ) or ( resid 250 and name hd2 )) 3.50 1.70 0.80 ! assign ( resid 218 and name hg1# ) ( resid 250 and name hz ) 5.00 3.20 0.50 ! assign ( resid 218 and name hg2# ) ((resid 250 and name he1 ) or ( resid 250 and name he2 )) 3.50 1.70 0.80 ! assign ( resid 218 and name hg2# ) ((resid 250 and name hd1 ) or ( resid 250 and name hd2 )) 3.50 1.70 0.80 ! assign ( resid 218 and name hg2# ) ( resid 250 and name hz ) 5.00 3.20 0.50 ! assign ( resid 218 and name hg1# ) ( resid 257 and name ha ) 3.50 1.70 0.50 !ccnoe12/26 assign ( resid 218 and name hg2# ) ( resid 289 and name hn ) 5.00 3.20 0.50 ! assign ( resid 218 and name hg1# ) ( resid 291 and name hn ) 5.00 3.20 0.50 ! assign ( resid 218 and name hg1# ) ((resid 220 and name hb1 ) or ( resid 220 and name hb2 )) 3.50 1.70 0.80 !ccnoe12/26 assign ( resid 218 and name hg1# ) ( resid 220 and name hd2# ) 3.50 1.70 1.00 !ccnoe12/26 assign ( resid 218 and name hg2# ) ( resid 220 and name hd2# ) 5.00 3.20 1.00 !ccnoe12/26 assign ( resid 218 and name hg2# ) ( resid 255 and name ha ) 5.00 3.20 0.50 !55hhcnoe12/26 assign ( resid 218 and name hg2# ) ((resid 255 and name hb1 ) or ( resid 255 and name hb2 )) 3.50 1.70 0.80 !ccnoe12/26 assign ( resid 218 and name hg2# ) ( resid 255 and name hd1# ) 3.50 1.70 1.00 !ccnoe12/26 assign ( resid 218 and name hg2# ) ( resid 255 and name hd2# ) 3.50 1.70 1.00 !ccnoe12/26 assign ( resid 218 and name hg1# ) ( resid 255 and name hd1# ) 5.00 3.20 1.00 !12/26 assign ( resid 218 and name hg1# ) ( resid 255 and name hd2# ) 5.00 3.20 1.00 !12/26 assign ( resid 218 and name hg1# ) ( resid 257 and name hg1# ) 3.50 1.70 1.00 !12/26 assign ( resid 218 and name hg1# ) ( resid 257 and name hg2# ) 3.50 1.70 1.00 !12/26 assign ( resid 218 and name hg2# ) ( resid 257 and name hg2# ) 3.50 1.70 1.00 !12/26 assign ( resid 218 and name hg2# ) ( resid 289 and name hg1# ) 2.70 0.90 1.00 !ccnoe,hhnoe12/26 assign ( resid 218 and name hg2# ) ( resid 289 and name hg2# ) 3.50 1.70 1.00 !ccnoe12/26 assign ( resid 218 and name hg1# ) ( resid 289 and name hg1# ) 3.50 1.70 1.00 !12/26,hhcnoe assign ( resid 218 and name hg1# ) ( resid 291 and name hn ) 5.00 3.20 0.50 !12/26,hhnnoe assign ( resid 218 and name hg1# ) ( resid 291 and name hg2# ) 3.50 1.70 1.00 !12/26,91hhcnoe assign ( resid 218 and name hg2# ) ( resid 291 and name hg2# ) 5.00 3.20 1.00 !12/26,91hhcnoe assign ( resid 218 and name hg1# ) ( resid 360 and name hd1# ) 6.00 4.20 1.00 !hhcnoe assign ( resid 218 and name hg1# ) ( resid 360 and name hg2# ) 6.00 4.20 1.00 !ccnoe assign ( resid 218 and name hg2# ) ( resid 360 and name hg2# ) 5.00 3.20 1.00 !ccnoe assign ( resid 218 and name hg2# ) ( resid 360 and name hd1# ) 5.00 3.20 1.00 !hhcnoe !PHE219 assign ( resid 219 and name hn ) ( resid 289 and name hn ) 3.50 1.70 0.00 !vw system assign ( resid 219 and name hn ) ((resid 289 and name hg1# ) or ( resid 289 and name hg2# )) 5.00 3.20 0.50 ! assign ( resid 219 and name hn ) ( resid 287 and name hb# ) 5.00 3.20 0.50 !19hhnnoe12/26 assign ((resid 219 and name hd1 ) or ( resid 219 and name hd2 ) or ( resid 219 and name he1 ) or ( resid 219 and name he2 ) or ( resid 219 and name hz )) ( resid 221 and name hb# ) 2.70 0.90 2.00 !3/15 assign ((resid 219 and name hd1 ) or ( resid 219 and name hd2 )) ( resid 280 and name ha ) 5.00 3.20 0.30 !2/12 assign ((resid 219 and name hd1 ) or ( resid 219 and name hd2 )) ( resid 284 and name ha ) 5.00 3.20 0.30 !2/13 assign ((resid 219 and name hd1 ) or ( resid 219 and name hd2 )) ( resid 284 and name hd1# ) 3.50 1.70 0.80 !2/13,ov with 108 assign ((resid 219 and name hd1 ) or ( resid 219 and name hd2 ) or ( resid 219 and name he1 ) or ( resid 219 and name he2 ) or ( resid 219 and name hz )) ( resid 292 and name hb# ) 5.00 3.20 2.00 !8/13 assign ((resid 219 and name hd1 ) or ( resid 219 and name hd2 ) or ( resid 219 and name he1 ) or ( resid 219 and name he2 ) or ( resid 219 and name hz )) ( resid 302 and name hg2# ) 5.00 3.20 2.00 !8/13 !LEU220 assign ( resid 220 and name ha ) ( resid 221 and name hn ) 2.70 0.90 0.00 ! assign ( resid 220 and name ha ) ( resid 291 and name hn ) 5.00 3.20 0.00 !hhcnoe12/26 assign ((resid 220 and name hb1 ) or ( resid 220 and name hb2 )) ( resid 257 and name hg1# ) 5.00 3.20 0.80 !57ccnoe2/2 assign ( resid 220 and name hd1# ) ( resid 243 and name ha ) 5.00 3.20 0.50 !hhcnoe43 assign ( resid 220 and name hd2# ) ( resid 243 and name ha ) 5.00 3.20 0.50 !hhcnoe1/11 assign ( resid 220 and name hd2# ) ((resid 243 and name hd1 ) or ( resid 243 and name hd2 )) 3.50 1.70 0.80 !hhcnoe12/26 assign ( resid 220 and name hd2# ) ((resid 243 and name he1 ) or ( resid 243 and name he2 )) 5.00 3.20 0.80 !hhcnoe12/26 assign ( resid 220 and name hd1# ) ((resid 243 and name hd1 ) or ( resid 243 and name hd2 )) 3.50 1.70 0.80 !ov with 27, which sees 43ring assign ( resid 220 and name hd2# ) ((resid 243 and name he1 ) or ( resid 243 and name he2 )) 5.00 3.20 0.80 ! assign ( resid 220 and name hd1# ) ( resid 246 and name hd2# ) 5.00 3.20 1.00 !ccnoe12/26 assign ( resid 220 and name hd2# ) ( resid 246 and name hd2# ) 5.00 3.20 1.00 !ccnoe12/26 assign ( resid 220 and name hd2# ) ( resid 247 and name hd1# ) 5.00 3.20 1.00 !ccnoe12/26 assign ( resid 220 and name hd2# ) ( resid 257 and name hg1# ) 5.00 3.20 1.00 !ccnoe12/26 assign ( resid 220 and name hd1# ) ( resid 260 and name hb# ) 5.00 3.20 1.00 !ccnoe assign ( resid 220 and name hd2# ) ( resid 260 and name hb# ) 5.00 3.20 1.00 !ccnoe assign ( resid 220 and name hd1# ) ((resid 291 and name hg1# ) or ( resid 291 and name hg2# )) 3.50 1.70 1.00 !91ccnoe12/26 assign ( resid 220 and name hd2# ) ((resid 291 and name hg1# ) or ( resid 291 and name hg2# )) 5.00 3.20 1.00 !91ccnoe12/26 assign ( resid 220 and name hd1# ) ( resid 292 and name ha ) 5.00 3.20 0.50 !92hc 8/15 assign ( resid 220 and name hd1# ) ( resid 293 and name hd1# ) 5.00 3.20 1.00 !ccnoe12/26 !ALA221 assign ( resid 221 and name hn ) ( resid 292 and name ha ) 3.50 1.70 0.00 ! assign ( resid 221 and name hn ) ((resid 291 and name hg1# ) or ( resid 291 and name hg2# )) 5.00 3.20 0.50 ! assign ( resid 221 and name hn ) ( resid 292 and name hb# ) 5.00 3.20 0.50 ! assign ( resid 221 and name ha ) ( resid 222 and name hn ) 2.70 0.90 0.00 ! assign ( resid 221 and name ha ) ( resid 302 and name hg2# ) 3.50 1.70 0.50 ! assign ( resid 221 and name hb# ) ((resid 224 and name he1 ) or ( resid 224 and name he2 )) 5.00 3.20 0.80 !hc9/8 assign ( resid 221 and name hb# ) ( resid 260 and name ha ) 5.00 3.20 0.50 !21hc/cc10/3 assign ( resid 221 and name hb# ) ( resid 261 and name he1 ) 3.50 1.70 0.50 !hhcnoe3/17 assign ( resid 221 and name hb# ) ( resid 292 and name ha ) 3.50 1.70 0.50 !21cc,92hc 8/15 assign ( resid 221 and name hb# ) ( resid 292 and name hb# ) 3.50 1.70 1.00 !hhcnoe12/26 assign ( resid 221 and name hb# ) ( resid 293 and name hn ) 3.50 1.70 0.50 ! assign ( resid 221 and name hb# ) ((resid 290 and name he1 ) or ( resid 290 and name he2 )) 3.50 1.70 0.80 ! assign ( resid 221 and name hb# ) ( resid 302 and name ha ) 5.00 3.20 0.50 ! assign ( resid 221 and name hb# ) ( resid 302 and name hg2# ) 3.50 1.70 1.00 ! assign ( resid 221 and name hb# ) ( resid 306 and name hd1# ) 5.00 3.20 1.00 !maybe sd !GLY222 assign ((resid 222 and name ha1 ) or ( resid 222 and name ha2 )) ( resid 293 and name hn ) 3.50 1.70 0.30 !hhnoe1/11 assign ((resid 222 and name ha1 ) or ( resid 222 and name ha2 )) ( resid 293 and name hg2# ) 5.00 3.20 0.80 !ccnoe1/11 assign ((resid 222 and name ha1 ) or ( resid 222 and name ha2 )) ( resid 293 and name hd1# ) 5.00 3.20 0.80 !ccnoe1/11 assign ((resid 222 and name ha1 ) or ( resid 222 and name ha2 )) ( resid 302 and name hg2# ) 5.00 3.20 0.80 !ccnoe !PRO223 assign ((resid 223 and name hd1 ) or ( resid 223 and name hd2 )) ( resid 227 and name hd2# ) 5.00 3.20 0.80 !ccnoe9/8 assign ((resid 223 and name hd1 ) or ( resid 223 and name hd2 )) ( resid 293 and name hd1# ) 5.00 3.20 0.80 !ccnoe1/11 assign ((resid 223 and name hd1 ) or ( resid 223 and name hd2 )) ( resid 293 and name hg2# ) 5.00 3.20 0.80 !ccnoe1/11 !PHE224 assign ( resid 224 and name ha ) ( resid 228 and name hg2# ) 5.00 3.20 0.50 !ccnoe11/26 assign ( resid 224 and name ha ) ( resid 228 and name hg1# ) 5.00 3.20 0.50 !ccnoe11/26 assign ( resid 224 and name ha ) ( resid 270 and name hg1# ) 5.00 3.20 0.50 !hc/cc9/8,can be relaxed assign ( resid 224 and name ha ) ( resid 270 and name hg2# ) 3.50 1.70 0.50 !hc/cc/9/8 assign ((resid 224 and name hd1 ) or ( resid 224 and name hd2 )) ( resid 225 and name ha ) 3.50 1.70 0.30 !25ccnoe1/11 assign ((resid 224 and name hd1 ) or ( resid 224 and name hd2 )) ( resid 225 and name he# ) 3.50 1.70 0.80 !25ccnoe1/11 assign ((resid 224 and name he1 ) or ( resid 224 and name he2 )) ( resid 225 and name he# ) 5.00 3.20 0.80 !25ccnoe1/11 assign ((resid 224 and name hd1 ) or ( resid 224 and name hd2 )) ( resid 227 and name hd1# ) 3.50 1.70 0.80 !hhcnoe10/3 ov with 44md1 assign ((resid 224 and name he1 ) or ( resid 224 and name he2 )) ( resid 227 and name hd1# ) 5.00 3.20 0.80 !hhcnoe10/3 assign ((resid 224 and name hd1 ) or ( resid 224 and name hd2 )) ( resid 227 and name hd2# ) 5.00 3.20 0.80 !hhcnoe10/3 assign ((resid 224 and name he1 ) or ( resid 224 and name he2 )) ( resid 227 and name hd2# ) 5.00 3.20 0.80 !hhcnoe10/3 assign ((resid 224 and name hd1 ) or ( resid 224 and name hd2 )) ( resid 228 and name hg1# ) 3.50 1.70 0.80 ! assign ((resid 224 and name he1 ) or ( resid 224 and name he2 )) ( resid 228 and name hg1# ) 5.00 3.20 0.80 ! assign ((resid 224 and name hd1 ) or ( resid 224 and name hd2 )) ( resid 228 and name hg2# ) 5.00 3.20 0.80 !hc9/8 assign ((resid 224 and name he1 ) or ( resid 224 and name he2 )) ( resid 228 and name hg2# ) 5.00 3.20 0.80 !hc9/8 !PHE243 assign ((resid 243 and name hd1 ) or ( resid 243 and name hd2 )) ( resid 235 and name he# ) 3.50 1.70 0.80 ! assign ((resid 243 and name he1 ) or ( resid 243 and name he2 )) ( resid 235 and name he# ) 5.00 3.20 0.80 ! assign ( resid 243 and name hz ) ( resid 235 and name he# ) 5.00 3.20 0.50 ! assign ((resid 224 and name he1 ) or ( resid 224 and name he2 )) ( resid 265 and name hb# ) 3.50 1.70 0.80 !65hc10/3 assign ( resid 224 and name hz ) ( resid 265 and name hb# ) 3.50 1.70 0.50 !65hc10/3,can be relaxed assign ( resid 224 and name hz ) ((resid 269 and name hg1 ) or ( resid 269 and name hg2 )) 5.00 3.20 0.30 !69hc11/26 assign ((resid 224 and name he1 ) or ( resid 224 and name he2 )) ( resid 270 and name hg1# ) 5.00 3.20 0.80 !hhcnoe2/9 assign ((resid 224 and name he1 ) or ( resid 224 and name he2 )) ( resid 270 and name hg2# ) 5.00 3.20 0.80 ! assign ( resid 224 and name hz ) ( resid 270 and name hg1# ) 5.00 3.20 0.50 ! assign ( resid 224 and name hz ) ( resid 270 and name hg2# ) 5.00 3.20 0.50 ! assign ((resid 224 and name he1 ) or ( resid 224 and name he2 )) ( resid 271 and name hd1# ) 5.00 3.20 0.80 !hc9/8 assign ( resid 224 and name hz ) ( resid 271 and name hd1# ) 5.00 3.20 0.50 !hc9/8 !MET225 assign ( resid 225 and name ha ) ( resid 228 and name hg2# ) 3.50 1.70 0.50 !ccnoe11/26 assign ( resid 225 and name ha ) ( resid 228 and name hg1# ) 5.00 3.20 0.50 !ccnoe11/26 assign ( resid 225 and name he# ) ( resid 228 and name hg2# ) 5.00 3.20 1.00 !25ccnoe1/11 assign ( resid 225 and name he# ) ((resid 230 and name hg1 ) or ( resid 230 and name hg2 )) 5.00 3.20 0.80 !25cc9/8 assign ( resid 225 and name he# ) ( resid 270 and name hg1# ) 5.00 3.20 1.00 !25cc9/8 assign ( resid 225 and name he# ) ( resid 270 and name hg2# ) 5.00 3.20 1.00 !25cc9/8 assign ( resid 225 and name he# ) ((resid 300 and name hd1 ) or ( resid 300 and name hd2 )) 5.00 3.20 0.80 !25hcnoe10/3 assign ( resid 225 and name he# ) ((resid 130 and name he1 ) or ( resid 130 and name he2 )) 3.50 1.70 0.80 !hhcnoe2/9,can be relaxed assign ( resid 225 and name he# ) ((resid 130 and name hd1 ) or ( resid 130 and name hd2 )) 5.00 3.20 0.80 !hhcnoe2/9 !GLY226 assign ((resid 226 and name ha1 ) or ( resid 226 and name ha2 )) ( resid 227 and name hn ) 3.50 1.70 0.30 !1/11 assign ((resid 226 and name ha1 ) or ( resid 226 and name ha2 )) ( resid 228 and name hg1# ) 5.00 3.20 0.80 !ccnoe11/26 assign ((resid 226 and name ha1 ) or ( resid 226 and name ha2 )) ( resid 230 and name ha ) 5.00 3.20 0.30 !30cc/hc/9/8however not match 26from28mg !LEU227 assign ( resid 227 and name ha ) ( resid 228 and name hn ) 3.50 1.70 0.00 !1/11 assign ((resid 227 and name hb1 ) or ( resid 227 and name hb2 )) ( resid 235 and name he# ) 5.00 3.20 0.80 !ccnoe,1/11 assign ( resid 227 and name hd2# ) ( resid 228 and name hg2# ) 3.50 1.70 1.00 !28ccneo11/26 assign ( resid 227 and name hd1# ) ( resid 228 and name hg2# ) 5.00 3.20 1.00 !28ccnoe11/26 assign ( resid 227 and name hd1# ) ( resid 235 and name ha ) 5.00 3.20 0.50 !ccnoe10/3 assign ( resid 227 and name hd2# ) ( resid 235 and name ha ) 5.00 3.20 0.50 !ccnoe10/3stronger assign ( resid 227 and name hd1# ) ( resid 235 and name he# ) 3.50 1.70 1.00 !ccnoe,1/11 assign ( resid 227 and name hd1# ) ((resid 236 and name hb1 ) or ( resid 236 and name hb2 )) 3.50 1.70 0.80 !1/11,ccnoe assign ( resid 227 and name hd1# ) ((resid 236 and name hd1 ) or ( resid 236 and name hd2 )) 5.00 3.20 0.80 !1/11 assign ( resid 227 and name hd1# ) ((resid 239 and name hb1 ) or ( resid 239 and name hb2 )) 3.50 1.70 0.80 !ccnoe1/11 assign ( resid 227 and name hd1# ) ((resid 239 and name hg1 ) or ( resid 239 and name hg2 )) 5.00 3.20 0.80 !ccnoe1/11 assign ( resid 227 and name hd1# ) ((resid 269 and name hg1 ) or ( resid 269 and name hg2 )) 3.50 1.70 0.80 !ccnoe11/26,canberelaxed assign ( resid 227 and name hd2# ) ((resid 295 and name ha1 ) or ( resid 295 and name ha2 )) 5.00 3.20 0.80 !27ccnoe10/3 assign ( resid 227 and name hd2# ) ((resid 130 and name hd1 ) or ( resid 130 and name hd2 )) 5.00 3.20 0.80 !xf10/3 assign ( resid 227 and name hd2# ) ((resid 130 and name he1 ) or ( resid 130 and name he2 )) 3.50 1.70 0.80 !xf10/3 assign ( resid 227 and name hd2# ) ( resid 130 and name hz ) 5.00 3.20 0.50 !xf10/3 !VAL228 assign ( resid 228 and name ha ) ( resid 229 and name hn ) 2.70 0.90 0.00 ! assign ( resid 228 and name ha ) ( resid 235 and name ha ) 5.00 3.20 0.00 !ccnoe1/11 assign ( resid 228 and name hg1# ) ( resid 235 and name ha ) 5.00 3.20 0.50 !ccnoe10/3 assign ( resid 228 and name hg1# ) ( resid 229 and name hn ) 3.50 1.70 0.50 ! assign ( resid 228 and name hg1# ) ( resid 229 and name ha ) 5.00 3.20 0.50 !ccnoe1/11 assign ( resid 228 and name hg1# ) ( resid 230 and name ha ) 5.00 3.20 0.50 !30ccnoe11/26 assign ( resid 228 and name hg1# ) ( resid 231 and name ha ) 3.50 1.70 0.50 !ccnoe11/26 assign ( resid 228 and name hg1# ) ( resid 233 and name ha ) 5.00 3.20 0.50 !cc/hc9/8 assign ( resid 228 and name hg1# ) ((resid 233 and name hb1 ) or ( resid 233 and name hb2 )) 5.00 3.20 0.80 !hhcnoe072816 assign ( resid 228 and name hg1# ) ( resid 130 and name hz ) 3.50 1.70 0.50 !xf11/26 assign ( resid 228 and name hg1# ) ((resid 130 and name he1 ) or ( resid 130 and name he2 )) 5.00 3.20 0.80 !xf11/26 assign ( resid 228 and name hg2# ) ( resid 130 and name hz ) 5.00 3.20 0.50 !xf11/26 assign ( resid 228 and name hg2# ) ((resid 130 and name he1 ) or ( resid 130 and name he2 )) 5.00 3.20 0.80 !xf11/26 !ASN229 assign ( resid 229 and name hn ) ((resid 230 and name hd1 ) or ( resid 230 and name hd2 )) 5.00 3.20 0.30 ! assign ( resid 229 and name hn ) ( resid 233 and name hn ) 5.00 3.20 0.00 ! assign ( resid 229 and name ha ) ((resid 230 and name hd1 ) or ( resid 230 and name hd2 )) 2.70 0.90 0.30 !1/11,ccnoe assign ( resid 229 and name ha ) ((resid 230 and name hg1 ) or ( resid 230 and name hg2 )) 3.50 1.70 0.30 !1/11,ccnoe assign ( resid 229 and name ha ) ( resid 231 and name hn ) 5.00 3.20 0.00 ! assign ((resid 229 and name hb1 ) or ( resid 229 and name hb2 )) ( resid 231 and name hn ) 5.00 3.20 0.30 !1/11,hhnnoe assign ((resid 229 and name hb1 ) or ( resid 229 and name hb2 )) ( resid 234 and name hn ) 5.00 3.20 0.30 !1/11,hhnnoe !PRO230 assign ( resid 230 and name ha ) ( resid 231 and name hn ) 2.70 0.90 0.00 ! assign ((resid 230 and name hd1 ) or ( resid 230 and name hd2 )) ( resid 270 and name hg2# ) 5.00 3.20 0.80 !ccnoe9/8 assign ((resid 230 and name hd1 ) or ( resid 230 and name hd2 )) ( resid 270 and name hg1# ) 5.00 3.20 0.80 !ccnoe9/8 assign ( resid 230 and name ha ) ((resid 270 and name hg1# ) or ( resid 270 and name hg2# )) 5.00 3.20 0.50 !hcnoe10/3 !GLU231 assign ( resid 231 and name hn ) ( resid 232 and name hn ) 3.50 1.70 0.00 ! assign ( resid 231 and name ha ) ( resid 232 and name hn ) 2.70 0.90 0.00 ! assign ((resid 231 and name hg1 ) or ( resid 231 and name hg2 )) ( resid 232 and name hg2# ) 5.00 3.20 0.80 !1/11ccnoe assign ( resid 231 and name ha ) ( resid 270 and name hg1# ) 5.00 3.20 0.50 !31ccnoe10/3,may be relaxed assign ( resid 231 and name ha ) ((resid 130 and name hd1 ) or ( resid 130 and name hd2 )) 5.00 3.20 0.30 !hc9/8 assign ( resid 231 and name ha ) ((resid 130 and name he1 ) or ( resid 130 and name he2 )) 5.00 3.20 0.30 !hc9/8 !THR232 assign ( resid 232 and name ha ) ( resid 233 and name hn ) 2.70 0.90 0.00 !1/11hhnoe, can be relaxed assign ( resid 232 and name hg2# ) ((resid 234 and name hb1 ) or ( resid 234 and name hb2 )) 5.00 3.20 0.80 !ccnoe1/11 assign ( resid 232 and name ha ) ( resid 270 and name hg2# ) 5.00 3.20 0.50 !32hcnoe10/3 !ASN233 assign ((resid 233 and name hb1 ) or ( resid 233 and name hb2 )) ((resid 235 and name hb1 ) or ( resid 235 and name hb2 )) 5.00 3.20 0.60 !hc9/8 assign ((resid 233 and name hb1 ) or ( resid 233 and name hb2 )) ( resid 270 and name hg1# ) 3.50 1.70 0.80 !hc9/8 !SER234 assign ( resid 234 and name ha ) ( resid 235 and name hn ) 2.70 0.90 0.00 ! assign ((resid 234 and name hb1 ) or ( resid 234 and name hb2 )) ( resid 235 and name hn ) 3.50 1.70 0.30 ! !MET235 assign ( resid 235 and name ha ) ((resid 236 and name hd1 ) or ( resid 236 and name hd2 )) 2.70 0.90 0.30 !1/11ccnoe assign ( resid 235 and name ha ) ((resid 236 and name hg1 ) or ( resid 236 and name hg2 )) 5.00 3.20 0.30 !ccnoe relaxed11/1 assign ( resid 235 and name ha ) ((resid 239 and name hg1 ) or ( resid 239 and name hg2 )) 5.00 3.20 0.30 !ccnoe1/11 assign ( resid 235 and name ha ) ((resid 239 and name hb1 ) or ( resid 239 and name hb2 )) 5.00 3.20 0.30 !ccnoe1/11 !PRO236 assign ( resid 236 and name ha ) ( resid 237 and name hn ) 2.70 0.90 0.00 ! assign ((resid 236 and name hb1 ) or ( resid 236 and name hb2 )) ( resid 237 and name hn ) 3.50 1.70 0.30 ! assign ((resid 236 and name hb1 ) or ( resid 236 and name hb2 )) ((resid 239 and name hb1 ) or ( resid 239 and name hb2 )) 3.50 1.70 0.60 !ccnoe11/26 assign ((resid 236 and name hd1 ) or ( resid 236 and name hd2 )) ((resid 239 and name hb1 ) or ( resid 239 and name hb2 )) 5.00 3.20 0.60 !ccnoe11/26 assign ((resid 236 and name hb1 ) or ( resid 236 and name hb2 )) ((resid 239 and name hg1 ) or ( resid 239 and name hg2 )) 3.50 1.70 0.60 !ccnoe11/26 assign ((resid 236 and name hd1 ) or ( resid 236 and name hd2 )) ((resid 239 and name hg1 ) or ( resid 239 and name hg2 )) 3.50 1.70 0.60 !39ccnoe11/26 !SER237 assign ( resid 237 and name ha ) ( resid 238 and name hn ) 3.50 1.70 0.00 ! assign ( resid 237 and name hn ) ( resid 240 and name hn ) 5.00 3.20 0.00 ! assign ( resid 237 and name ha ) ((resid 240 and name hg1 ) or ( resid 240 and name hg2 )) 5.00 3.20 0.30 !ccnoe11/26 assign ((resid 237 and name hb1 ) or ( resid 237 and name hb2 )) ( resid 239 and name hn ) 5.00 3.20 0.30 ! !ALA238 assign ( resid 238 and name ha ) ((resid 241 and name hb1 ) or ( resid 241 and name hb2 )) 3.50 1.70 0.30 !ccnoe11/26, can be relaxed assign ( resid 238 and name ha ) ( resid 241 and name hg ) 5.00 3.20 0.00 !38ccnoe1/11 assign ( resid 238 and name ha ) ( resid 241 and name hd1# ) 3.50 1.70 0.50 ! assign ( resid 238 and name ha ) ( resid 241 and name hd2# ) 5.00 3.20 0.50 !41hhcnoe !GLU239 assign ( resid 239 and name hn ) ( resid 240 and name hn ) 3.50 1.70 0.00 ! assign ( resid 239 and name ha ) ((resid 242 and name hd1 ) or ( resid 242 and name hd2 )) 5.00 3.20 0.30 !39ccnoe1/11 assign ((resid 239 and name hg1 ) or ( resid 239 and name hg2 )) ((resid 243 and name hd1 ) or ( resid 243 and name hd2 )) 5.00 3.20 0.60 !39hhcnoe1/11 assign ((resid 239 and name hg1 ) or ( resid 239 and name hg2 )) ((resid 243 and name he1 ) or ( resid 243 and name he2 )) 5.00 3.20 0.60 !39hhcnoe1/11 !GLN240 assign ( resid 240 and name hn ) ( resid 241 and name hn ) 2.70 0.90 0.00 !shoulder9/8 assign ( resid 240 and name ha ) ( resid 243 and name hn ) 3.50 1.70 0.00 ! assign ( resid 240 and name ha ) ((resid 243 and name hd1 ) or ( resid 243 and name hd2 )) 3.50 1.70 0.30 !hhcnoe1/11 assign ( resid 240 and name ha ) ( resid 244 and name hd1# ) 5.00 3.20 0.50 !cc/hhcnoe1/11 assign ((resid 240 and name hg1 ) or ( resid 240 and name hg2 )) ( resid 266 and name hd1 ) 5.00 3.20 0.30 !hhcnoe,mk !LEU241 assign ( resid 241 and name hn ) ((resid 242 and name hd1 ) or ( resid 242 and name hd2 )) 3.50 1.70 0.30 ! assign ( resid 241 and name ha ) ( resid 244 and name hn ) 3.50 1.70 0.00 !hhnnoe1/11 assign ( resid 241 and name hd2# ) ((resid 242 and name hd1 ) or ( resid 242 and name hd2 )) 3.50 1.70 0.80 !ccnoe1/11 assign ( resid 241 and name hd1# ) ( resid 266 and name hd1 ) 5.00 3.20 0.50 !hhcnoe1/11 assign ( resid 241 and name hd1# ) ( resid 266 and name hz2 ) 5.00 3.20 0.50 !hhcnoe1/11 !PRO242 assign ( resid 242 and name ha ) ( resid 245 and name hb ) 5.00 3.20 0.00 !ccnoe assign ( resid 242 and name ha ) ( resid 245 and name hg2# ) 3.50 1.70 0.50 !ccnoe assign ( resid 242 and name ha ) ( resid 349 and name hg2# ) 5.00 3.20 0.50 !ccnoe/hhc assign ( resid 242 and name ha ) ( resid 349 and name hd1# ) 5.00 3.20 0.50 !ccnoe8/15 assign ((resid 242 and name hb1 ) or ( resid 242 and name hb2 )) ( resid 349 and name hg2# ) 3.50 1.70 0.80 !ccnoe/hhc assign ((resid 242 and name hb1 ) or ( resid 242 and name hb2 )) ( resid 349 and name hd1# ) 3.50 1.70 0.80 !ccnoe8/15 !PHE243 assign ( resid 243 and name hn ) ( resid 244 and name hn ) 2.70 0.90 0.00 !hhnnoe1/11 assign ( resid 243 and name ha ) ( resid 246 and name hn ) 3.50 1.70 0.00 !hhnnoe1/11 assign ( resid 243 and name ha ) ( resid 246 and name hd1# ) 3.50 1.70 0.50 !hhcnoe1/11 assign ( resid 243 and name ha ) ( resid 247 and name hg2# ) 5.00 3.20 0.50 !47cc8/15 assign ( resid 243 and name ha ) ( resid 293 and name hd1# ) 5.00 3.20 0.50 !hh/ccnoe1/11 assign ( resid 243 and name ha ) ( resid 319 and name hd1# ) 5.00 3.20 0.50 !119hc8/15 assign ( resid 243 and name ha ) ( resid 349 and name hd1# ) 5.00 3.20 0.50 !149cc8/15 assign ((resid 243 and name hd1 ) or ( resid 243 and name hd2 )) ( resid 246 and name hn ) 5.00 3.20 0.30 !hhnnoe1/11 assign ((resid 243 and name hd1 ) or ( resid 243 and name hd2 )) ( resid 260 and name hb# ) 5.00 3.20 0.80 !hhcnoe1/28 assign ((resid 243 and name he1 ) or ( resid 243 and name he2 )) ( resid 260 and name hb# ) 5.00 3.20 0.80 !hhcnoe1/28 assign ((resid 243 and name hd1 ) or ( resid 243 and name hd2 )) ( resid 293 and name hd1# ) 3.50 1.70 0.80 ! assign ((resid 243 and name hd1 ) or ( resid 243 and name hd2 )) ( resid 293 and name hg2# ) 5.00 3.20 0.80 ! assign ((resid 243 and name he1 ) or ( resid 243 and name he2 )) ( resid 293 and name hd1# ) 3.50 1.70 0.80 ! assign ( resid 243 and name hz ) ( resid 293 and name hd1# ) 3.50 1.70 0.50 ! assign ((resid 243 and name hd1 ) or ( resid 243 and name hd2 )) ( resid 349 and name hd1# ) 5.00 3.20 0.80 !hhcnoe assign ((resid 243 and name he1 ) or ( resid 243 and name he2 )) ( resid 349 and name hd1# ) 5.00 3.20 0.80 !hhcnoe !LEU244 assign ( resid 244 and name hn ) ( resid 245 and name hn ) 2.70 0.90 0.00 !hhnnoe1/11 assign ( resid 244 and name ha ) ( resid 247 and name hd1# ) 3.50 1.70 0.50 !cnoe1/11 assign ( resid 244 and name ha ) ( resid 247 and name hg2# ) 5.00 3.20 0.50 !ccnoe1/11 assign ( resid 244 and name hd2# ) ( resid 247 and name hd1# ) 3.50 1.70 1.00 !ccnoe1/11 assign ( resid 244 and name hd1# ) ( resid 266 and name hd1 ) 5.00 3.20 0.50 !hhcnoe1/11 assign ( resid 244 and name hd1# ) ( resid 266 and name hz2 ) 3.50 1.70 0.50 !hhcnoe1/11, can be relaxed assign ( resid 244 and name hd2# ) ( resid 266 and name hz2 ) 3.50 1.70 0.50 !hhcnoe1/11 assign ( resid 244 and name hd2# ) ( resid 266 and name hd1 ) 5.00 3.20 0.50 !hhcnoe1/11 assign ( resid 244 and name hd2# ) ( resid 266 and name he1 ) 2.70 0.90 0.50 !hhnnoe10/3 !THR245 assign ( resid 245 and name hn ) ( resid 246 and name hn ) 3.50 1.70 0.00 ! assign ( resid 245 and name ha ) ((resid 248 and name hb1 ) or ( resid 248 and name hb2 )) 3.50 1.70 0.30 !ccnoe assign ( resid 245 and name ha ) ((resid 248 and name hg1 ) or ( resid 248 and name hg2 )) 5.00 3.20 0.30 !ccnoe1/11 assign ( resid 245 and name hb ) ( resid 349 and name hg2# ) 5.00 3.20 0.50 !ccnoe assign ( resid 245 and name hg2# ) ( resid 246 and name hn ) 2.70 0.90 0.50 ! assign ( resid 245 and name hg2# ) ((resid 248 and name hb1 ) or ( resid 248 and name hb2 )) 5.00 3.20 0.80 !ccnoe assign ( resid 245 and name hg2# ) ((resid 248 and name hg1 ) or ( resid 248 and name hg2 )) 5.00 3.20 0.80 !ccnoe assign ( resid 245 and name hg2# ) ((resid 249 and name hb1 ) or ( resid 249 and name hb2 )) 3.50 1.70 0.80 !ccnoe1/11 assign ( resid 245 and name hg2# ) ( resid 349 and name hg2# ) 3.50 1.70 1.00 !ccnoe assign ( resid 245 and name hg2# ) ( resid 349 and name hd1# ) 5.00 3.20 1.00 !ccnoe8/15 assign ( resid 245 and name hg2# ) ( resid 350 and name ha ) 5.00 3.20 0.50 !ccnoe assign ( resid 245 and name hg2# ) ( resid 350 and name hb# ) 3.50 1.70 1.00 !hhcnoe, can be relaxed assign ( resid 245 and name hg2# ) ( resid 353 and name ha ) 5.00 3.20 0.50 !ccnoe assign ( resid 245 and name hg2# ) ((resid 353 and name he1 ) or ( resid 353 and name he2 )) 3.50 1.70 0.80 !ccnoe !LEU246 assign ( resid 246 and name hn ) ( resid 247 and name hn ) 3.50 1.70 0.00 ! assign ( resid 246 and name ha ) ( resid 249 and name hn ) 3.50 1.70 0.00 ! assign ( resid 246 and name ha ) ((resid 249 and name hb1 ) or ( resid 249 and name hb2 )) 5.00 3.20 0.30 !ccnoe1/11 assign ( resid 246 and name ha ) ( resid 349 and name hd1# ) 5.00 3.20 0.50 !ccnoe8/15 assign ( resid 246 and name hd1# ) ( resid 249 and name hn ) 5.00 3.20 0.50 !sp difussion assign ( resid 246 and name hd2# ) ( resid 249 and name hn ) 5.00 3.20 0.50 !sp difussion assign ( resid 246 and name hd1# ) ( resid 249 and name hd2 ) 5.00 3.20 0.50 !hhcnoe1/11 assign ( resid 246 and name hd2# ) ( resid 249 and name hd2 ) 5.00 3.20 0.50 !hhcnoe1/11 assign ( resid 246 and name hd2# ) ((resid 250 and name he1 ) or ( resid 250 and name he2 )) 3.50 1.70 0.80 !46md1 ov 55md1 assign ( resid 246 and name hd2# ) ( resid 250 and name hz ) 3.50 1.70 0.50 ! assign ( resid 246 and name hd2# ) ((resid 250 and name hd1 ) or ( resid 250 and name hd2 )) 5.00 3.20 0.80 ! assign ( resid 246 and name hd2# ) ((resid 291 and name hg1# ) or ( resid 291 and name hg2# )) 5.00 3.20 1.00 !ccnoe1/1 assign ( resid 246 and name hd2# ) ( resid 293 and name hd1# ) 5.00 3.20 1.00 !93ccnoe1/11 assign ( resid 246 and name hd2# ) ( resid 319 and name hd1# ) 3.50 1.70 1.00 !ccnoe1/11 assign ( resid 246 and name hd2# ) ( resid 319 and name hd2# ) 5.00 3.20 1.00 !ccnoe1/11 assign ( resid 246 and name hd2# ) ((resid 346 and name hd1 ) or ( resid 346 and name hd2 )) 6.00 4.20 0.80 !hhcnoe assign ( resid 246 and name hd1# ) ( resid 349 and name hd1# ) 3.50 1.70 1.00 !ccnoe assign ( resid 246 and name hd1# ) ( resid 349 and name hg2# ) 5.00 3.20 1.00 !ccnoe assign ( resid 246 and name hd2# ) ( resid 349 and name hd1# ) 3.50 1.70 1.00 ! assign ( resid 246 and name hd2# ) ( resid 349 and name hg2# ) 3.50 1.70 1.00 ! assign ( resid 246 and name hd2# ) ( resid 352 and name hb# ) 5.00 3.20 1.00 !cc/hhcnoe1/11 assign ( resid 246 and name hd2# ) ( resid 353 and name ha ) 5.00 3.20 0.50 !ccnoe1/11 assign ( resid 246 and name hd2# ) ((resid 353 and name he1 ) or ( resid 353 and name he2 )) 5.00 3.20 0.80 !hhcnoe assign ((resid 246 and name hb1 ) or ( resid 246 and name hb2 )) ( resid 356 and name hd1# ) 5.00 3.20 0.80 ! assign ( resid 246 and name hd2# ) ( resid 356 and name hd1# ) 3.50 1.70 1.00 ! assign ( resid 246 and name hd2# ) ( resid 356 and name hg2# ) 3.50 1.70 1.00 !hhnoe8/15 assign ( resid 246 and name hd1# ) ( resid 356 and name hd1# ) 3.50 1.70 1.00 !ccnoe !ILE247 assign ( resid 247 and name hn ) ( resid 248 and name hn ) 2.70 0.90 0.00 ! assign ( resid 247 and name ha ) ( resid 250 and name hn ) 5.00 3.20 0.00 !hhnnoe1/11 assign ( resid 247 and name ha ) ((resid 250 and name hb1 ) or ( resid 250 and name hb2 )) 5.00 3.20 0.30 !hhcnoe1/11 assign ( resid 247 and name ha ) ((resid 250 and name hd1 ) or ( resid 250 and name hd2 )) 3.50 1.70 0.30 ! assign ( resid 247 and name hg2# ) ( resid 248 and name ha ) 3.50 1.70 0.50 !47ccnoe8/15 assign ( resid 247 and name hg2# ) ((resid 250 and name hd1 ) or ( resid 250 and name hd2 )) 5.00 3.20 0.80 !ov with 160mg2 assign ( resid 247 and name hg2# ) ((resid 250 and name he1 ) or ( resid 250 and name he2 )) 5.00 3.20 0.80 ! assign ( resid 247 and name hd1# ) ((resid 250 and name hd1 ) or ( resid 250 and name hd2 )) 5.00 3.20 0.80 ! assign ( resid 247 and name hd1# ) ((resid 250 and name he1 ) or ( resid 250 and name he2 )) 5.00 3.20 0.80 ! assign ( resid 247 and name hd1# ) ( resid 250 and name hz ) 5.00 3.20 0.50 ! assign ( resid 247 and name hg2# ) ((resid 251 and name hb1 ) or ( resid 251 and name hb2 )) 5.00 3.20 0.80 !ccnoe assign ( resid 247 and name hd1# ) ( resid 257 and name hg1# ) 5.00 3.20 1.00 !ccnoe assign ( resid 247 and name hg2# ) ( resid 257 and name hg1# ) 3.50 1.70 1.00 !57ccnoe2/2 assign ( resid 247 and name hg2# ) ( resid 257 and name hg2# ) 5.00 3.20 1.00 !ccnoe assign ( resid 247 and name hg2# ) ( resid 260 and name hb# ) 3.50 1.70 1.00 !ccnoe,can be relaxed assign ( resid 247 and name hd1# ) ( resid 260 and name hb# ) 5.00 3.20 1.00 !ccnoe assign ( resid 247 and name hg2# ) ((resid 262 and name hd1 ) or ( resid 262 and name hd2 )) 3.50 1.70 0.80 !ccnoe9/8 assign ( resid 247 and name hd1# ) ((resid 262 and name hd1 ) or ( resid 262 and name hd2 )) 5.00 3.20 0.80 !ccnoe assign ( resid 247 and name hd1# ) ( resid 266 and name hz2 ) 5.00 3.20 0.50 !hhcnoe1/11 !GLU248 assign ( resid 248 and name hn ) ( resid 249 and name hn ) 2.70 0.90 0.00 ! assign ( resid 248 and name ha ) ( resid 251 and name hn ) 3.50 1.70 0.00 ! assign ( resid 248 and name ha ) ((resid 251 and name hb1 ) or ( resid 251 and name hb2 )) 3.50 1.70 0.30 !ccnoe1/28 assign ( resid 248 and name ha ) ((resid 251 and name hg1 ) or ( resid 251 and name hg2 )) 5.00 3.20 0.30 !ccnoe1/28 assign ( resid 248 and name ha ) ((resid 252 and name hg1 ) or ( resid 252 and name hg2 )) 5.00 3.20 0.30 ! assign ( resid 248 and name ha ) ((resid 252 and name he1 ) or ( resid 252 and name he2 )) 5.00 3.20 0.30 !ccnoe1/28 assign ((resid 248 and name hg1 ) or ( resid 248 and name hg2 )) ((resid 252 and name hg1 ) or ( resid 252 and name hg2 )) 5.00 3.20 0.60 !ccnoe1/28 assign ((resid 248 and name hg1 ) or ( resid 248 and name hg2 )) ((resid 252 and name he1 ) or ( resid 252 and name he2 )) 3.50 1.70 0.60 !ccnoe1/28 !HIS249 assign ( resid 249 and name hn ) ( resid 250 and name hn ) 2.70 0.90 0.00 ! assign ( resid 249 and name ha ) ( resid 252 and name hn ) 3.50 1.70 0.00 !hhnnoe1/11 assign ( resid 249 and name ha ) ( resid 253 and name hn ) 3.50 1.70 0.00 ! assign ( resid 249 and name ha ) ((resid 252 and name hg1 ) or ( resid 252 and name hg2 )) 5.00 3.20 0.30 !ccnoe assign ( resid 249 and name ha ) ((resid 252 and name he1 ) or ( resid 252 and name he2 )) 3.50 1.70 0.30 !ccnoe assign ( resid 249 and name ha ) ((resid 353 and name he1 ) or ( resid 353 and name he2 )) 5.00 3.20 0.30 !ccnoe1/28 assign ( resid 249 and name hd2 ) ( resid 250 and name ha ) 5.00 3.20 0.00 ! assign ( resid 249 and name hd2 ) ( resid 353 and name ha ) 5.00 3.20 0.00 !hhcnoe1/11 assign ( resid 249 and name hd2 ) ( resid 356 and name hg2# ) 5.00 3.20 0.50 !hhcnoe1/11 !PHE250 assign ( resid 250 and name hn ) ( resid 251 and name hn ) 2.70 0.90 0.00 ! assign ( resid 250 and name ha ) ( resid 255 and name hd1# ) 2.70 0.90 0.50 !ccnoe,hhcnoe12/26 assign ( resid 250 and name ha ) ((resid 253 and name hb1 ) or ( resid 253 and name hb2 )) 5.00 3.20 0.30 !ccnoe assign ( resid 250 and name ha ) ((resid 253 and name hg1 ) or ( resid 253 and name hg2 )) 3.50 1.70 0.30 !ccnoe assign ( resid 250 and name ha ) ( resid 257 and name hg2# ) 5.00 3.20 0.50 !hh/ccnoe1/28 assign ((resid 250 and name hb1 ) or ( resid 250 and name hb2 )) ( resid 255 and name hd2# ) 5.00 3.20 0.80 !55ccnoe2/2 assign ((resid 250 and name hb1 ) or ( resid 250 and name hb2 )) ( resid 255 and name hd1# ) 3.50 1.70 0.80 !55ccnoe2/2 assign ((resid 250 and name hb1 ) or ( resid 250 and name hb2 )) ( resid 257 and name hg2# ) 3.50 1.70 0.80 !hhcnoe1/28 assign ((resid 250 and name hd1 ) or ( resid 250 and name hd2 )) ( resid 253 and name hn ) 5.00 3.20 0.30 ! assign ((resid 250 and name hd1 ) or ( resid 250 and name hd2 )) ( resid 255 and name hd1# ) 3.50 1.70 0.80 ! assign ((resid 250 and name he1 ) or ( resid 250 and name he2 )) ( resid 255 and name hd1# ) 3.50 1.70 0.80 ! assign ( resid 250 and name hz ) ( resid 255 and name hd1# ) 3.50 1.70 0.50 ! assign ((resid 250 and name hd1 ) or ( resid 250 and name hd2 )) ( resid 255 and name hd2# ) 5.00 3.20 0.80 ! assign ((resid 250 and name hd1 ) or ( resid 250 and name hd2 )) ( resid 257 and name hg1# ) 3.50 1.70 0.80 ! assign ((resid 250 and name he1 ) or ( resid 250 and name he2 )) ( resid 257 and name hg1# ) 5.00 3.20 0.80 ! assign ((resid 250 and name hd1 ) or ( resid 250 and name hd2 )) ( resid 257 and name hg2# ) 3.50 1.70 0.80 ! assign ((resid 250 and name he1 ) or ( resid 250 and name he2 )) ( resid 257 and name hg2# ) 5.00 3.20 0.80 ! assign ((resid 250 and name hd1 ) or ( resid 250 and name hd2 )) ((resid 291 and name hg1# ) or ( resid 291 and name hg2# )) 5.00 3.20 0.80 !91mg1/2 ov assign ((resid 250 and name he1 ) or ( resid 250 and name he2 )) ((resid 291 and name hg1# ) or ( resid 291 and name hg2# )) 3.50 1.70 0.80 ! assign ( resid 250 and name hz ) ((resid 291 and name hg1# ) or ( resid 291 and name hg2# )) 3.50 1.70 0.50 ! assign ((resid 250 and name he1 ) or ( resid 250 and name he2 )) ( resid 356 and name hg2# ) 3.50 1.70 0.80 ! assign ( resid 250 and name hz ) ( resid 356 and name hg2# ) 3.50 1.70 0.50 ! assign ( resid 250 and name hz ) ( resid 356 and name hd1# ) 5.00 3.20 0.50 ! assign ((resid 250 and name hd1 ) or ( resid 250 and name hd2 )) ( resid 360 and name hd1# ) 5.00 3.20 0.80 ! assign ((resid 250 and name he1 ) or ( resid 250 and name he2 )) ( resid 360 and name hd1# ) 2.70 0.90 0.80 ! assign ( resid 250 and name hz ) ( resid 360 and name hd1# ) 2.70 0.90 0.50 ! assign ((resid 250 and name hd1 ) or ( resid 250 and name hd2 )) ( resid 360 and name hg2# ) 5.00 3.20 0.80 !ov with 47mg2 assign ((resid 250 and name he1 ) or ( resid 250 and name he2 )) ( resid 360 and name hg2# ) 5.00 3.20 0.80 ! assign ( resid 250 and name hz ) ( resid 360 and name hg2# ) 5.00 3.20 0.50 ! !GLU251 assign ( resid 251 and name hn ) ( resid 252 and name hn ) 2.70 0.90 0.00 ! assign ( resid 251 and name hn ) ( resid 257 and name hg2# ) 3.50 1.70 0.50 !hhcnoe2/2 assign ( resid 251 and name ha ) ( resid 257 and name hg2# ) 5.00 3.20 0.50 !51ccnoe2/02 assign ( resid 251 and name ha ) ( resid 256 and name ha ) 5.00 3.20 0.00 !ccnoe assign ((resid 251 and name hg1 ) or ( resid 251 and name hg2 )) ( resid 257 and name hg2# ) 3.50 1.70 0.80 !51ccnoe assign ((resid 251 and name hg1 ) or ( resid 251 and name hg2 )) ( resid 257 and name hg1# ) 5.00 3.20 0.80 !57ccnoe !LYS252 assign ( resid 252 and name hn ) ( resid 253 and name hn ) 2.70 0.90 0.00 ! assign ( resid 252 and name hn ) ( resid 254 and name hn ) 5.00 3.20 0.00 ! !GLN253 assign ( resid 253 and name hn ) ( resid 254 and name hn ) 2.70 0.90 0.00 ! assign ( resid 253 and name hn ) ( resid 255 and name hn ) 3.50 1.70 0.00 ! assign ( resid 253 and name hn ) ( resid 255 and name hd1# ) 3.50 1.70 0.50 ! assign ( resid 253 and name hn ) ((resid 255 and name hb1 ) or ( resid 255 and name hb2 )) 5.00 3.20 0.30 ! assign ( resid 253 and name ha ) ( resid 255 and name hn ) 5.00 3.20 0.00 !hhnnoe, can be deleted assign ((resid 253 and name hb1 ) or ( resid 253 and name hb2 )) ( resid 255 and name hd1# ) 3.50 1.70 0.80 !ccnoe2/2 assign ((resid 253 and name hg1 ) or ( resid 253 and name hg2 )) ( resid 255 and name hd1# ) 3.50 1.70 0.80 !ccnoe2/2 assign ((resid 253 and name hb1 ) or ( resid 253 and name hb2 )) ( resid 255 and name hd2# ) 5.00 3.20 0.80 ! assign ((resid 253 and name hg1 ) or ( resid 253 and name hg2 )) ( resid 255 and name hd2# ) 5.00 3.20 0.80 ! !GLY254 assign ( resid 254 and name hn ) ( resid 255 and name hn ) 2.70 0.90 0.00 ! assign ( resid 254 and name hn ) ((resid 255 and name hb1 ) or ( resid 255 and name hb2 )) 5.00 3.20 0.30 ! assign ( resid 254 and name hn ) ( resid 255 and name hd1# ) 3.50 1.70 0.50 ! !LEU255 assign ( resid 255 and name ha ) ( resid 256 and name hn ) 2.70 0.90 0.00 ! assign ( resid 255 and name hd2# ) ( resid 256 and name hn ) 3.50 1.70 0.50 ! assign ( resid 255 and name hd2# ) ( resid 360 and name hg2# ) 5.00 3.20 1.00 !ccnoe2/2 !GLU256 assign ( resid 256 and name ha ) ( resid 257 and name hn ) 2.70 0.90 0.00 !hhnnoe2/02 can be relaxed assign ( resid 256 and name hn ) ((resid 258 and name hd1 ) or ( resid 258 and name hd2 )) 5.00 3.20 0.30 ! assign ((resid 256 and name hb1 ) or ( resid 256 and name hb2 )) ((resid 258 and name hd1 ) or ( resid 258 and name hd2 )) 3.50 1.70 0.60 !hhcnoe,12/26 !VAL257 assign ( resid 257 and name hg1# ) ( resid 260 and name hb# ) 3.50 1.70 1.00 !cc/hc9/8 !PHE258 assign ((resid 258 and name hd1 ) or ( resid 258 and name hd2 ) or ( resid 258 and name he1 ) or ( resid 258 and name he2 ) or ( resid 258 and name hz )) ( resid 283 and name ha ) 5.00 3.20 1.50 !hhcnoe2/2,v weak sys assign ((resid 258 and name hd1 ) or ( resid 258 and name hd2 ) or ( resid 258 and name he1 ) or ( resid 258 and name he2 ) or ( resid 258 and name hz )) ( resid 287 and name hn ) 3.50 1.70 1.50 ! assign ((resid 258 and name hd1 ) or ( resid 258 and name hd2 ) or ( resid 258 and name he1 ) or ( resid 258 and name he2 ) or ( resid 258 and name hz )) ( resid 287 and name hb# ) 2.70 0.90 2.00 ! assign ((resid 258 and name hd1 ) or ( resid 258 and name hd2 ) or ( resid 258 and name he1 ) or ( resid 258 and name he2 ) or ( resid 258 and name hz )) ( resid 287 and name ha ) 3.50 1.70 1.50 ! assign ((resid 258 and name hd1 ) or ( resid 258 and name hd2 ) or ( resid 258 and name he1 ) or ( resid 258 and name he2 ) or ( resid 258 and name hz )) ((resid 286 and name hb1 ) or ( resid 286 and name hb2 )) 3.50 1.70 1.80 !hhcnoe2/2 assign ((resid 258 and name hd1 ) or ( resid 258 and name hd2 )) ((resid 286 and name hd1 ) or ( resid 286 and name hd2 )) 3.50 1.70 0.60 ! assign ((resid 258 and name he1 ) or ( resid 258 and name he2 )) ((resid 286 and name hd1 ) or ( resid 286 and name hd2 )) 3.50 1.70 0.60 ! assign ((resid 258 and name hd1 ) or ( resid 258 and name hd2 )) ((resid 286 and name he1 ) or ( resid 286 and name he2 )) 2.70 0.90 0.60 ! assign ((resid 258 and name he1 ) or ( resid 258 and name he2 )) ((resid 286 and name he1 ) or ( resid 286 and name he2 )) 2.70 0.90 0.60 !hhcnoe2/2 !ALA260 assign ( resid 260 and name hb# ) ( resid 266 and name hz2 ) 5.00 3.20 0.50 !hhcnoe assign ( resid 260 and name hb# ) ( resid 262 and name ha ) 3.50 1.70 0.50 !ccnoe assign ( resid 260 and name hb# ) ((resid 262 and name hd1 ) or ( resid 262 and name hd2 )) 5.00 3.20 0.80 !ccnoe !HIS261 assign ( resid 261 and name hn ) ( resid 266 and name he1 ) 5.00 3.20 0.00 !hhnnoe10/3 !ARG262 assign ( resid 262 and name ha ) ( resid 266 and name hd1 ) 3.50 1.70 0.00 !hhcnoe2/2 assign ( resid 262 and name ha ) ( resid 266 and name he1 ) 3.50 1.70 0.00 !hhnnoe12/08 assign ( resid 262 and name ha ) ( resid 266 and name hz2 ) 5.00 3.20 0.00 !hhcnoe !GLU264 assign ( resid 264 and name ha ) ( resid 269 and name hn ) 5.00 3.20 0.00 !hhnnoe2/9 assign ( resid 264 and name ha ) ( resid 271 and name hd2# ) 3.50 1.70 0.50 !ccnoe2/2 assign ( resid 264 and name ha ) ( resid 271 and name hd1# ) 5.00 3.20 0.50 !ccnoe2/2 assign ((resid 264 and name hg1 ) or ( resid 264 and name hg2 )) ( resid 271 and name hd2# ) 3.50 1.70 0.80 ! assign ((resid 264 and name hg1 ) or ( resid 264 and name hg2 )) ( resid 271 and name hd1# ) 5.00 3.20 0.80 ! !ALA265 assign ( resid 265 and name hn ) ( resid 266 and name hn ) 2.70 0.90 0.00 !hhnnoe2/8 assign ( resid 265 and name hn ) ( resid 266 and name he1 ) 5.00 3.20 0.00 !hhnnoe10/3 assign ( resid 265 and name ha ) ( resid 266 and name he1 ) 5.00 3.20 0.00 ! assign ( resid 265 and name ha ) ( resid 266 and name hd1 ) 3.50 1.70 0.00 !hhcnoe2/8 assign ( resid 265 and name hb# ) ( resid 266 and name hd1 ) 3.50 1.70 0.50 !hhcnoe2/8 assign ( resid 265 and name hb# ) ( resid 266 and name he1 ) 3.50 1.70 0.50 !can be relaxed assign ( resid 265 and name ha ) ( resid 267 and name hn ) 5.00 3.20 0.00 !hhnnoe9/8 assign ( resid 265 and name ha ) ( resid 268 and name hn ) 5.00 3.20 0.00 !hhnnoe9/8 assign ( resid 265 and name ha ) ((resid 269 and name hb1 ) or ( resid 269 and name hb2 )) 5.00 3.20 0.30 !ccnoe9/8 assign ( resid 265 and name ha ) ( resid 271 and name hd2# ) 5.00 3.20 0.50 !ccnoe9/8 assign ( resid 265 and name hb# ) ((resid 269 and name hb1 ) or ( resid 269 and name hb2 )) 5.00 3.20 0.80 !ccnoe2/8 relaxed11/1 assign ( resid 265 and name hb# ) ((resid 269 and name hg1 ) or ( resid 269 and name hg2 )) 5.00 3.20 0.80 !ccnoe2/8 assign ( resid 265 and name hb# ) ((resid 270 and name hg1# ) or ( resid 270 and name hg2# )) 5.00 3.20 1.00 !hhcnoe10/3 assign ( resid 265 and name hb# ) ( resid 271 and name hd1# ) 5.00 3.20 1.00 !hhcnoe2/8 assign ( resid 265 and name hb# ) ( resid 271 and name hd2# ) 5.00 3.20 1.00 !hhcnoe2/8 !TRP266 assign ( resid 266 and name hn ) ( resid 267 and name hn ) 2.70 0.90 0.00 !hhnnoe9/8 !GLY267 assign ( resid 267 and name hn ) ( resid 268 and name hn ) 2.70 0.90 0.00 !hhnnoe9/8 assign ((resid 267 and name ha1 ) or ( resid 267 and name ha2 )) ( resid 268 and name hn ) 3.50 1.70 0.30 ! !ALA268 assign ( resid 268 and name hb# ) ( resid 269 and name hn ) 3.50 1.70 0.50 !hhnnoe relaxed10/3 !GLN269 assign ( resid 269 and name ha ) ( resid 270 and name hn ) 2.70 0.90 0.00 ! assign ((resid 269 and name hb1 ) or ( resid 269 and name hb2 )) ( resid 271 and name hd1# ) 5.00 3.20 0.80 !ccnoe2/9 assign ((resid 269 and name hg1 ) or ( resid 269 and name hg2 )) ( resid 271 and name hd2# ) 3.50 1.70 0.80 !71ccnoe2/9 !VAL270 assign ( resid 270 and name ha ) ( resid 271 and name hn ) 2.70 0.90 0.00 ! assign ( resid 270 and name hb ) ( resid 271 and name hn ) 5.00 3.20 0.00 ! assign ( resid 270 and name hg2# ) ( resid 272 and name hg2# ) 5.00 3.20 1.00 !hhcnoe10/3 del 65mb to 70 assign ( resid 270 and name hg1# ) ( resid 272 and name hg2# ) 5.00 3.20 1.00 !hhcnoe10/3 assign ( resid 270 and name ha ) ((resid 130 and name hd1 ) or ( resid 130 and name hd2 )) 5.00 3.20 0.30 !xf130hd10/31 assign ( resid 270 and name hg1# ) ((resid 130 and name hd1 ) or ( resid 130 and name hd2 )) 3.50 1.70 0.80 !xf10/31 assign ( resid 270 and name hg1# ) ((resid 130 and name he1 ) or ( resid 130 and name he2 )) 3.50 1.70 0.80 !hhcnoe2/9 assign ( resid 270 and name hg2# ) ((resid 130 and name he1 ) or ( resid 130 and name he2 )) 5.00 3.20 0.80 ! !LEU271 assign ( resid 271 and name ha ) ( resid 272 and name hn ) 2.70 0.90 0.00 ! assign ( resid 271 and name ha ) ( resid 272 and name hg2# ) 5.00 3.20 0.50 !ccnoe10/3 assign ((resid 271 and name hb1 ) or ( resid 271 and name hb2 )) ( resid 272 and name hg2# ) 5.00 3.20 0.80 !ccnoe10/3 assign ( resid 271 and name hd2# ) ( resid 272 and name hg2# ) 3.50 1.70 1.00 !hhcnoe10/3 assign ( resid 271 and name hd2# ) ( resid 272 and name hn ) 3.50 1.70 0.50 ! assign ( resid 271 and name hd2# ) ((resid 275 and name hb1 ) or ( resid 275 and name hb2 )) 3.50 1.70 0.80 !ccnoe2/10 assign ( resid 271 and name hd2# ) ((resid 275 and name hg1 ) or ( resid 275 and name hg2 )) 5.00 3.20 0.80 !ov with 64cg assign ((resid 271 and name hd1# ) or ( resid 271 and name hd2# )) ( resid 276 and name hn ) 3.50 1.70 0.50 !hhnnoe2/9 assign ( resid 271 and name hd1# ) ( resid 276 and name ha ) 5.00 3.20 0.50 !ccnoe2/9 assign ( resid 271 and name hd1# ) ((resid 276 and name hb1 ) or ( resid 276 and name hb2 )) 3.50 1.70 0.80 !ccnoe assign ( resid 271 and name hd2# ) ((resid 276 and name hb1 ) or ( resid 276 and name hb2 )) 5.00 3.20 0.80 !ccnoe assign ( resid 271 and name hd1# ) ( resid 130 and name hz ) 5.00 3.20 0.50 !xf10/3 assign ( resid 271 and name hd1# ) ((resid 130 and name he1 ) or ( resid 130 and name he2 )) 5.00 3.20 0.80 !xf10/3 assign ( resid 271 and name hd2# ) ( resid 130 and name hz ) 5.00 3.20 0.50 !xf10/3 assign ( resid 271 and name hd2# ) ((resid 130 and name he1 ) or ( resid 130 and name he2 )) 5.00 3.20 0.80 !xf10/3 !THR272 assign ( resid 272 and name hn ) ( resid 274 and name hn ) 5.00 3.20 0.00 !hhnnoe2/11 assign ( resid 272 and name hn ) ( resid 275 and name hn ) 6.00 4.20 0.00 ! assign ( resid 272 and name hn ) ( resid 276 and name hn ) 6.00 4.20 0.00 ! assign ( resid 272 and name ha ) ((resid 273 and name hd1 ) or ( resid 273 and name hd2 )) 2.70 0.90 0.30 !hhcnoe assign ( resid 272 and name hg2# ) ((resid 273 and name hd1 ) or ( resid 273 and name hd2 )) 3.50 1.70 0.80 !hhcnoe assign ( resid 272 and name hg2# ) ( resid 275 and name hn ) 5.00 3.20 0.50 !changed from 74.hn 10/3 assign ( resid 272 and name hg2# ) ((resid 274 and name hb1 ) or ( resid 274 and name hb2 )) 5.00 3.20 0.80 !hc/cc10/3 assign ( resid 272 and name hg2# ) ((resid 275 and name hb1 ) or ( resid 275 and name hb2 )) 3.50 1.70 0.80 !hc/cc10/3 assign ( resid 272 and name hg2# ) ((resid 274 and name hg1 ) or ( resid 274 and name hg2 )) 5.00 3.20 0.80 !hc/cc10/3 assign ( resid 272 and name hg2# ) ((resid 275 and name hg1 ) or ( resid 275 and name hg2 )) 5.00 3.20 0.80 !hc/cc10/3 assign ( resid 272 and name hg2# ) ((resid 130 and name hd1 ) or ( resid 130 and name hd2 )) 5.00 3.20 0.80 !hhcnoe2/9 assign ( resid 272 and name hg2# ) ((resid 130 and name he1 ) or ( resid 130 and name he2 )) 3.50 1.70 0.80 !hhcnoe2/9 !PRO273 assign ( resid 273 and name ha ) ((resid 130 and name hd1 ) or ( resid 130 and name hd2 )) 3.50 1.70 0.30 !hhcnoe2/9 !GLU274 assign ( resid 274 and name hn ) ( resid 275 and name hn ) 2.70 0.90 0.00 ! assign ( resid 274 and name ha ) ( resid 277 and name hn ) 5.00 3.20 0.00 !hhnnoe9/8 assign ( resid 274 and name ha ) ((resid 278 and name hd1 ) or ( resid 278 and name hd2 )) 5.00 3.20 0.30 !ccnoe2/9 assign ( resid 274 and name ha ) ((resid 134 and name ha1 ) or ( resid 134 and name ha2 )) 5.00 3.20 0.30 !ccnoe2/8 assign ( resid 274 and name ha ) ( resid 137 and name hg2# ) 2.70 0.90 0.50 !ccnoe assign ((resid 274 and name hg1 ) or ( resid 274 and name hg2 )) ((resid 134 and name ha1 ) or ( resid 134 and name ha2 )) 5.00 3.20 0.60 !ccnoe8/15 assign ((resid 274 and name hg1 ) or ( resid 274 and name hg2 )) ( resid 137 and name hg2# ) 2.70 0.90 0.80 !ccnoe assign ((resid 274 and name hb1 ) or ( resid 274 and name hb2 )) ( resid 138 and name hg1# ) 5.00 3.20 0.80 !xf10/27 !GLU275 assign ( resid 275 and name hn ) ( resid 276 and name hn ) 2.70 0.90 0.00 ! assign ( resid 275 and name ha ) ((resid 278 and name hd1 ) or ( resid 278 and name hd2 )) 5.00 3.20 0.30 !ccnoe !CYS276 assign ( resid 276 and name hn ) ( resid 277 and name hn ) 3.50 1.70 0.00 ! assign ( resid 276 and name ha ) ( resid 279 and name hn ) 6.00 4.20 0.00 !sp diffussion assign ( resid 276 and name ha ) ((resid 279 and name hb1 ) or ( resid 279 and name hb2 )) 5.00 3.20 0.30 !ccnoe assign ( resid 276 and name ha ) ( resid 279 and name hd1# ) 3.50 1.70 0.50 !ccnoe assign ( resid 276 and name ha ) ( resid 279 and name hd2# ) 5.00 3.20 0.50 !ccnoe2/9 !THR277 assign ( resid 277 and name ha ) ( resid 280 and name hn ) 5.00 3.20 0.00 !hhnnoe2/11 assign ( resid 277 and name hg2# ) ((resid 278 and name hd1 ) or ( resid 278 and name hd2 )) 2.70 0.90 0.80 !trans pro78 assign ( resid 277 and name hg2# ) ((resid 281 and name hg1 ) or ( resid 281 and name hg2 )) 5.00 3.20 0.80 !ccnoe assign ( resid 277 and name hg2# ) ( resid 304 and name hg1# ) 5.00 3.20 1.00 !hhcnoe2/11 assign ( resid 277 and name hg2# ) ( resid 308 and name hz2 ) 3.50 1.70 0.50 !hhcnoe,can be relaxed assign ( resid 277 and name hg2# ) ( resid 308 and name hh2 ) 5.00 3.20 0.50 ! assign ( resid 277 and name ha ) ( resid 131 and name hd2# ) 3.50 1.70 0.50 ! 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assign ( resid 277 and name hg2# ) ( resid 138 and name hg2# ) 2.70 0.90 1.00 ! !PRO278 assign ( resid 278 and name ha ) ((resid 281 and name hb1 ) or ( resid 281 and name hb2 )) 5.00 3.20 0.30 !ccnoe2/11 assign ( resid 278 and name ha ) ( resid 281 and name hn ) 5.00 3.20 0.00 !hhnnoe2/11 assign ( resid 278 and name ha ) ( resid 137 and name hg2# ) 5.00 3.20 0.50 !xf10/28 assign ( resid 278 and name ha ) ( resid 138 and name hg1# ) 3.50 1.70 0.50 !ccnoe assign ( resid 278 and name ha ) ( resid 138 and name hg2# ) 5.00 3.20 0.50 ! assign ((resid 278 and name hd1 ) or ( resid 278 and name hd2 )) ( resid 131 and name hd2# ) 5.00 3.20 0.80 ! assign ((resid 278 and name hd1 ) or ( resid 278 and name hd2 )) ((resid 134 and name ha1 ) or ( resid 134 and name ha2 )) 5.00 3.20 0.60 !xf10/31 assign ((resid 278 and name hd1 ) or ( resid 278 and name hd2 )) ( resid 135 and name hd1# ) 5.00 3.20 0.80 !ccnoe8/15 assign ((resid 278 and name hd1 ) or ( resid 278 and name hd2 )) ( resid 137 and name hg2# ) 3.50 1.70 0.80 !ccnoe8/15 assign ((resid 278 and name hg1 ) or ( resid 278 and name hg2 )) ( resid 137 and name hg2# ) 5.00 3.20 0.80 !ccnoe8/15 assign ((resid 278 and name hb1 ) or ( resid 278 and name hb2 )) ( resid 137 and name hg2# ) 5.00 3.20 0.80 !ccnoe8/15 assign ((resid 278 and name hb1 ) or ( resid 278 and name hb2 )) ( resid 138 and name hg1# ) 3.50 1.70 0.80 !ccnoe8/15 assign ((resid 278 and name hg1 ) or ( resid 278 and name hg2 )) ( resid 138 and name hg1# ) 3.50 1.70 0.80 !ccnoe8/15 relaxed assign ((resid 278 and name hd1 ) or ( resid 278 and name hd2 )) ( resid 138 and name hg2# ) 5.00 3.20 0.80 ! 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!LEU282 assign ( resid 282 and name hn ) ( resid 283 and name hn ) 2.70 0.90 0.00 ! assign ( resid 282 and name ha ) ( resid 285 and name hn ) 3.50 1.70 0.00 !hhnnoe9/8 assign ( resid 282 and name ha ) ((resid 285 and name hb1 ) or ( resid 285 and name hb2 )) 5.00 3.20 0.30 !82ccnoe2/13 assign ( resid 282 and name ha ) ((resid 285 and name hg1 ) or ( resid 285 and name hg2 )) 3.50 1.70 0.30 !82ccnoe2/13 assign ( resid 282 and name ha ) ((resid 285 and name hd1 ) or ( resid 285 and name hd2 )) 2.70 0.90 0.30 !82ccnoe assign ( resid 282 and name hg ) ((resid 286 and name he1 ) or ( resid 286 and name he2 )) 5.00 3.20 0.30 !ccnoe2/2 assign ( resid 282 and name hd1# ) ((resid 285 and name hd1 ) or ( resid 285 and name hd2 )) 5.00 3.20 0.80 !ccnoe8/15 assign ( resid 282 and name hd1# ) ((resid 286 and name hb1 ) or ( resid 286 and name hb2 )) 5.00 3.20 0.80 !86hhcnoe2/2 assign ( resid 282 and name hd1# ) ((resid 286 and name he1 ) or ( resid 286 and name he2 )) 3.50 1.70 0.80 !ccnoe assign ((resid 282 and name hd1# ) or ( resid 282 and name hd2# )) ((resid 110 and name hb1 ) or ( resid 110 and name hb2 )) 5.00 3.20 0.80 !xf10/27 assign ((resid 282 and name hd1# ) or ( resid 282 and name hd2# )) ( resid 137 and name hg2# ) 5.00 3.20 1.00 !xf10/27 assign ((resid 282 and name hd1# ) or ( resid 282 and name hd2# )) ( resid 138 and name hg1# ) 3.50 1.70 1.00 !138xf10/27 !GLU283 assign ( resid 283 and name hn ) ( resid 284 and name hn ) 2.70 0.90 0.00 ! 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assign ((resid 290 and name he1 ) or ( resid 290 and name he2 )) ( resid 309 and name hb# ) 3.50 1.70 0.80 ! assign ((resid 290 and name hd1 ) or ( resid 290 and name hd2 )) ( resid 309 and name hb# ) 3.50 1.70 0.80 ! assign ( resid 290 and name hz ) ( resid 309 and name hb# ) 3.50 1.70 0.50 ! assign ( resid 290 and name hz ) ( resid 309 and name hn ) 5.00 3.20 0.00 ! assign ((resid 290 and name hd1 ) or ( resid 290 and name hd2 )) ( resid 316 and name hd1# ) 3.50 1.70 0.80 !hc8/15 assign ((resid 290 and name he1 ) or ( resid 290 and name he2 )) ( resid 316 and name hd1# ) 5.00 3.20 0.80 !hc8/15 assign ((resid 290 and name hd1 ) or ( resid 290 and name hd2 )) ( resid 316 and name hg2# ) 3.50 1.70 0.80 !hhcnoe assign ((resid 290 and name he1 ) or ( resid 290 and name he2 )) ( resid 316 and name hg2# ) 5.00 3.20 0.80 !hhcnoe assign ((resid 290 and name hd1 ) or ( resid 290 and name hd2 )) ( resid 318 and name hd2# ) 3.50 1.70 0.80 !hhcnoe,can relax assign ((resid 290 and name he1 ) or ( resid 290 and name he2 )) ( resid 318 and name hd2# ) 5.00 3.20 0.80 ! !VAL291 assign ( resid 291 and name ha ) ( resid 292 and name hn ) 2.70 0.90 0.00 ! assign ((resid 291 and name hg1# ) or ( resid 291 and name hg2# )) ( resid 293 and name hd1# ) 5.00 3.20 1.00 ! assign ((resid 291 and name hg1# ) or ( resid 291 and name hg2# )) ( resid 317 and name hn ) 3.50 1.70 0.50 !hhcnoe3/15 assign ((resid 291 and name hg1# ) or ( resid 291 and name hg2# )) ( resid 317 and name hb ) 3.50 1.70 0.50 !91hhc/ccnoe3/15 assign ((resid 291 and name hg1# ) or ( resid 291 and name hg2# )) ( resid 317 and name hg1# ) 5.00 3.20 1.00 !hsqcCC assign ((resid 291 and name hg1# ) or ( resid 291 and name hg2# )) ( resid 317 and name hg2# ) 3.50 1.70 1.00 !91ccnoe3/15 assign ((resid 291 and name hg1# ) or ( resid 291 and name hg2# )) ((resid 319 and name hd1# ) or ( resid 319 and name hd2# )) 2.70 0.90 1.00 !hsqcCC assign ((resid 291 and name hg1# ) or ( resid 291 and name hg2# )) ( resid 356 and name hd1# ) 3.50 1.70 1.00 !hhcnoe, h ov 119 assign ((resid 291 and name hg1# ) or ( resid 291 and name hg2# )) ( resid 356 and name hg2# ) 5.00 3.20 1.00 !ccnoe8/15 assign ((resid 291 and name hg1# ) or ( resid 291 and name hg2# )) ( resid 360 and name hd1# ) 3.50 1.70 1.00 !ccnoe assign ((resid 291 and name hg1# ) or ( resid 291 and name hg2# )) ( resid 360 and name hg2# ) 5.00 3.20 1.00 !ccnoe !ALA292 assign ( resid 292 and name ha ) ( resid 293 and name hn ) 2.70 0.90 0.00 ! assign ( resid 292 and name hn ) ( resid 316 and name hg2# ) 5.00 3.20 0.50 !116hc8/15 assign ( resid 292 and name hn ) ( resid 318 and name ha ) 3.50 1.70 0.00 ! assign ( resid 292 and name hn ) ( resid 318 and name hd2# ) 5.00 3.20 0.50 !118hc8/15 assign ( resid 292 and name ha ) ( resid 302 and name hg2# ) 5.00 3.20 0.50 !ccnoe12/26 assign ( resid 292 and name hb# ) ( resid 294 and name ha ) 5.00 3.20 0.50 !hh/ccnoe3/15 assign ( resid 292 and name hb# ) ((resid 294 and name hd1 ) or ( resid 294 and name hd2 )) 5.00 3.20 0.80 !hh/ccnoe3/15 assign ( resid 292 and name hb# ) ( resid 302 and name hg2# ) 3.50 1.70 1.00 ! assign ( resid 292 and name hb# ) ( resid 306 and name ha ) 5.00 3.20 0.50 !hhcnoe9/8 assign ( resid 292 and name hb# ) ( resid 306 and name hd1# ) 3.50 1.70 1.00 !ccnoe3/15 assign ( resid 292 and name hb# ) ( resid 306 and name hg2# ) 5.00 3.20 1.00 !ccnoe3/15 assign ( resid 292 and name hb# ) ( resid 318 and name ha ) 5.00 3.20 0.50 !hh/ccnoe3/15 assign ( resid 292 and name hb# ) ( resid 318 and name hd1# ) 3.50 1.70 1.00 !ccnoe3/15 !ILE293 assign ( resid 293 and name hn ) ((resid 294 and name hd1 ) or ( resid 294 and name hd2 )) 5.00 3.20 0.30 !3/15 assign ( resid 293 and name ha ) ((resid 294 and name hd1 ) or ( resid 294 and name hd2 )) 3.50 1.70 0.30 !cc/hc9/8 assign ( resid 293 and name ha ) ( resid 295 and name hn ) 5.00 3.20 0.00 !hnnoe11/26 assign ( resid 293 and name ha ) ( resid 319 and name hn ) 5.00 3.20 0.00 !3/15 assign ( resid 293 and name ha ) ( resid 319 and name hd1# ) 5.00 3.20 0.50 !8/15 assign ( resid 293 and name hg2# ) ( resid 295 and name hn ) 3.50 1.70 0.50 ! assign ( resid 293 and name hg2# ) ((resid 295 and name ha1 ) or ( resid 295 and name ha2 )) 3.50 1.70 0.80 !ccnoe3/15 assign ( resid 293 and name hg2# ) ( resid 296 and name hn ) 5.00 3.20 0.50 !relaxed10/3 assign ( resid 293 and name hg2# ) ( resid 319 and name hd1# ) 3.50 1.70 1.00 !hsqcCC assign ( resid 293 and name hd1# ) ( resid 319 and name hd1# ) 3.50 1.70 1.00 !hsqcCC assign ( resid 293 and name hg2# ) ( resid 320 and name hd2# ) 5.00 3.20 1.00 !hhcnoe3/15 can be deleted assign ( resid 293 and name hg2# ) ( resid 321 and name ha ) 5.00 3.20 0.50 !hhcnoe072816 assign ( resid 293 and name hd1# ) ( resid 321 and name ha ) 5.00 3.20 0.50 !hhcnoe072816 assign ( resid 293 and name hd1# ) ((resid 346 and name he1 ) or ( resid 346 and name he2 )) 5.00 3.20 0.80 ! assign ( resid 293 and name hg2# ) ((resid 346 and name he1 ) or ( resid 346 and name he2 )) 3.50 1.70 0.80 ! assign ( resid 293 and name hg2# ) ((resid 346 and name hd1 ) or ( resid 346 and name hd2 )) 5.00 3.20 0.80 ! assign ( resid 293 and name hg2# ) ( resid 349 and name hd1# ) 5.00 3.20 1.00 ! assign ( resid 293 and name hd1# ) ( resid 349 and name hd1# ) 3.50 1.70 1.00 ! !PRO294 assign ( resid 294 and name ha ) ( resid 295 and name hn ) 2.70 0.90 0.00 !added 02/27/17 assign ( resid 294 and name ha ) ( resid 298 and name ha ) 5.00 3.20 0.00 !hhcnoe12/8 assign ( resid 294 and name ha ) ( resid 299 and name hn ) 5.00 3.20 0.00 !hhnnoe10/3 assign ( resid 294 and name ha ) ( resid 302 and name hg2# ) 3.50 1.70 0.50 !hhnoe and ccnoe assign ((resid 294 and name hd1 ) or ( resid 294 and name hd2 )) ( resid 302 and name hg2# ) 5.00 3.20 0.80 !ccnoe 8/13 assign ( resid 294 and name ha ) ( resid 303 and name he1 ) 5.00 3.20 0.00 !hhcnoe3/17 assign ( resid 294 and name ha ) ( resid 306 and name hd1# ) 5.00 3.20 0.50 !hhcnoe and ccnoe assign ( resid 294 and name ha ) ((resid 328 and name he1 ) or ( resid 328 and name he2 )) 5.00 3.20 0.30 !hhcnoe072816 assign ((resid 294 and name hg1 ) or ( resid 294 and name hg2 )) ( resid 318 and name hd2# ) 3.50 1.70 0.80 !hc/cc8/15 assign ((resid 294 and name hd1 ) or ( resid 294 and name hd2 )) ( resid 318 and name hd2# ) 5.00 3.20 0.80 !ccnoe3/15 assign ((resid 294 and name hd1 ) or ( resid 294 and name hd2 )) ( resid 319 and name hn ) 5.00 3.20 0.30 !hnnoe11/26 assign ((resid 294 and name hg1 ) or ( resid 294 and name hg2 )) ( resid 320 and name hd2# ) 3.50 1.70 0.80 !hc/cc8/15 assign ((resid 294 and name hd1 ) or ( resid 294 and name hd2 )) ( resid 320 and name hd2# ) 3.50 1.70 0.80 !ccnoe !GLY295 assign ( resid 295 and name hn ) ( resid 296 and name hn ) 2.70 0.90 0.00 !hhnnoe10/3 assign ((resid 295 and name ha1 ) or ( resid 295 and name ha2 )) ( resid 296 and name hn ) 3.50 1.70 0.30 ! assign ((resid 295 and name ha1 ) or ( resid 295 and name ha2 )) ( resid 299 and name hn ) 5.00 3.20 0.30 !hhnnoe10/3 assign ( resid 295 and name hn ) ( resid 320 and name hd2# ) 5.00 3.20 0.50 !hhnnoe3/15 assign ( resid 295 and name hn ) ( resid 325 and name ha ) 5.00 3.20 0.00 !hhnnoe11/1,canbetightened assign ( resid 295 and name hn ) ((resid 328 and name he1 ) or ( resid 328 and name he2 )) 5.00 3.20 0.30 !hhnnoe !ILE296 assign ( resid 296 and name hn ) ( resid 325 and name ha ) 5.00 3.20 0.00 !hhnnoe11/1 assign ( resid 296 and name hn ) ((resid 328 and name he1 ) or ( resid 328 and name he2 )) 3.50 1.70 0.30 !hhnnoe10/3 assign ( resid 296 and name hn ) ((resid 328 and name hd1 ) or ( resid 328 and name hd2 )) 5.00 3.20 0.30 !added 0302/17 assign ( resid 296 and name ha ) ( resid 297 and name ha ) 2.70 0.90 0.00 !hhcnoe9/8 assign ( resid 296 and name ha ) ((resid 297 and name hb1 ) or ( resid 297 and name hb2 )) 5.00 3.20 0.30 !ccnoe,can be relaxed assign ( resid 296 and name hg2# ) ( resid 297 and name ha ) 2.70 0.90 0.50 !ccnoe assign ( resid 296 and name hg2# ) ((resid 297 and name hb1 ) or ( resid 297 and name hb2 )) 3.50 1.70 0.80 !ccnoe assign ( resid 296 and name hg2# ) ((resid 297 and name hg1 ) or ( resid 297 and name hg2 )) 5.00 3.20 0.80 !ccnoe3/15 assign ( resid 296 and name hg2# ) ((resid 298 and name hd1 ) or ( resid 298 and name hd2 )) 5.00 3.20 0.80 !ccnoe3/15,can be deleted assign ( resid 296 and name hd1# ) ((resid 298 and name hd1 ) or ( resid 298 and name hd2 )) 5.00 3.20 0.80 !96ccnoe10/6 assign ( resid 296 and name hd1# ) ( resid 320 and name hd2# ) 5.00 3.20 1.00 !120cc8/15 assign ( resid 296 and name hd1# ) ( resid 324 and name hn ) 5.00 3.20 0.50 !hhnnoe12/8 assign ( resid 296 and name hg2# ) ( resid 324 and name hn ) 5.00 3.20 0.50 !hhnnoe12/8 assign ( resid 296 and name hd1# ) ( resid 324 and name ha ) 3.50 1.70 0.50 !ccnoe8/15 assign ( resid 296 and name hd1# ) ((resid 324 and name hd1 ) or ( resid 324 and name hd2 )) 3.50 1.70 0.80 !ccnoe3/15 assign ( resid 296 and name hd1# ) ((resid 324 and name hg1 ) or ( resid 324 and name hg2 )) 5.00 3.20 0.80 !ccnoe3/15 assign ( resid 296 and name hd1# ) ( resid 325 and name hn ) 3.50 1.70 0.50 !hhnnoe11/1 assign ( resid 296 and name hd1# ) ( resid 327 and name hn ) 3.50 1.70 0.50 ! assign ( resid 296 and name hg2# ) ( resid 327 and name hn ) 5.00 3.20 0.50 ! assign ( resid 296 and name hd1# ) ((resid 327 and name hb1 ) or ( resid 327 and name hb2 )) 3.50 1.70 0.80 !hhcnoe,ccnoe assign ( resid 296 and name hd1# ) ((resid 327 and name hg1 ) or ( resid 327 and name hg2 )) 3.50 1.70 0.80 !hhcnoe,ccnoe assign ( resid 296 and name hg2# ) ((resid 327 and name hb1 ) or ( resid 327 and name hb2 )) 3.50 1.70 0.80 ! assign ( resid 296 and name hg2# ) ((resid 327 and name hg1 ) or ( resid 327 and name hg2 )) 3.50 1.70 0.80 ! assign ( resid 296 and name hd1# ) ( resid 328 and name hn ) 3.50 1.70 0.50 !can be relaxed assign ( resid 296 and name hd1# ) ( resid 328 and name ha ) 2.70 0.90 0.50 !128hhcnoe10/3 assign ( resid 296 and name hd1# ) ((resid 328 and name hd1 ) or ( resid 328 and name hd2 )) 5.00 3.20 0.80 !hhcnoe assign ( resid 296 and name hd1# ) ((resid 328 and name he1 ) or ( resid 328 and name he2 )) 3.50 1.70 0.80 ! assign ( resid 296 and name hg2# ) ((resid 328 and name he1 ) or ( resid 328 and name he2 )) 5.00 3.20 0.80 ! !PRO297 assign ( resid 297 and name ha ) ((resid 298 and name hd1 ) or ( resid 298 and name hd2 )) 2.70 0.90 0.30 !ccnoe10/3 !PRO298 assign ( resid 298 and name ha ) ( resid 303 and name he1 ) 2.70 0.90 0.00 !not 100%sure, can be deleted !SER299 assign ( resid 299 and name hn ) ( resid 303 and name he1 ) 5.00 3.20 0.00 !hnnoe8/15 assign ( resid 299 and name ha ) ((resid 300 and name hd1 ) or ( resid 300 and name hd2 )) 2.70 0.90 0.30 !ccnoe10/3 assign ((resid 299 and name hb1 ) or ( resid 299 and name hb2 )) ( resid 302 and name hg2# ) 5.00 3.20 0.80 !102cc,8/15 !GLY301 assign ( resid 301 and name hn ) ( resid 302 and name hn ) 2.70 0.90 0.00 ! assign ((resid 301 and name ha1 ) or ( resid 301 and name ha2 )) ( resid 304 and name hg2# ) 5.00 3.20 0.80 !ccnoe3/17 assign ((resid 301 and name ha1 ) or ( resid 301 and name ha2 )) ( resid 131 and name hd1# ) 3.50 1.70 0.80 ! assign ((resid 301 and name ha1 ) or ( resid 301 and name ha2 )) ( resid 131 and name hd2# ) 5.00 3.20 0.80 !8/15 !THR302 assign ( resid 302 and name hn ) ( resid 303 and name hn ) 3.50 1.70 0.00 !hhnnoe assign ( resid 302 and name hg2# ) ((resid 305 and name hg1 ) or ( resid 305 and name hg2 )) 5.00 3.20 0.80 !ccnoe3/15 assign ( resid 302 and name hg2# ) ( resid 306 and name hd1# ) 2.70 0.90 1.00 !hhcnoe assign ( resid 302 and name hb ) ( resid 306 and name hd1# ) 5.00 3.20 0.50 ! assign ( resid 302 and name hg2# ) ((resid 328 and name he1 ) or ( resid 328 and name he2 )) 5.00 3.20 0.80 !added 2/26/17 !HIS303 assign ( resid 303 and name hn ) ( resid 304 and name hn ) 3.50 1.70 0.00 ! assign ( resid 303 and name hn ) ((resid 328 and name he1 ) or ( resid 328 and name he2 )) 5.00 3.20 0.30 !added 2/26/17 assign ( resid 303 and name hn ) ((resid 328 and name hd1 ) or ( resid 328 and name hd2 )) 5.00 3.20 0.30 !added 0302/17 assign ( resid 303 and name ha ) ( resid 306 and name hn ) 3.50 1.70 0.00 ! assign ( resid 303 and name ha ) ( resid 307 and name hn ) 3.50 1.70 0.00 ! assign ( resid 303 and name ha ) ( resid 306 and name hd1# ) 3.50 1.70 0.50 !hhcnoe,ccnoe assign ( resid 303 and name ha ) ( resid 306 and name hg2# ) 5.00 3.20 0.50 ! assign ( resid 303 and name hd2 ) ( resid 304 and name hn ) 5.00 3.20 0.00 !mk3/17 assign ( resid 303 and name hd2 ) ( resid 306 and name hd1# ) 5.00 3.20 0.50 ! assign ( resid 303 and name he1 ) ( resid 306 and name hd1# ) 5.00 3.20 0.50 !hhcnoe3/17 assign ( resid 303 and name hd2 ) ( resid 332 and name hg1# ) 5.00 3.20 0.50 !hc8/15 assign ( resid 303 and name hd2 ) ( resid 332 and name hg2# ) 3.50 1.70 0.50 ! assign ( resid 303 and name he1 ) ( resid 332 and name hg2# ) 5.00 3.20 0.50 !hhcnoe3/17 assign ( resid 303 and name ha ) ( resid 104 and name hg2# ) 5.00 3.20 0.50 ! assign ( resid 303 and name hd2 ) ( resid 104 and name hg2# ) 3.50 1.70 0.50 ! !VAL304 assign ( resid 304 and name hn ) ( resid 305 and name hn ) 2.70 0.90 0.00 ! assign ( resid 304 and name ha ) ( resid 307 and name hn ) 3.50 1.70 0.00 ! assign ( resid 304 and name hg1# ) ( resid 308 and name hn ) 5.00 3.20 0.50 ! assign ( resid 304 and name hg1# ) ( resid 308 and name hz2 ) 5.00 3.20 0.50 ! assign ( resid 304 and name hg1# ) ( resid 308 and name he1 ) 5.00 3.20 0.50 !hhnoe assign ( resid 304 and name hg1# ) ( resid 308 and name he3 ) 5.00 3.20 0.50 !hhnoe9/8 assign ( resid 304 and name hg2# ) ( resid 104 and name ha ) 5.00 3.20 0.50 !xf10/27 assign ( resid 304 and name hg2# ) ( resid 104 and name hb ) 5.00 3.20 0.50 !xf10/27 assign ( resid 304 and name hg1# ) ( resid 106 and name hg2# ) 3.50 1.70 1.00 ! assign ( resid 304 and name hg2# ) ( resid 106 and name hg2# ) 3.50 1.70 1.00 !ccnoe3/17 assign ( resid 304 and name hg2# ) ( resid 106 and name hd1# ) 5.00 3.20 1.00 !xf10/31 can be deleted sp assign ( resid 304 and name hg1# ) ( resid 107 and name hn ) 2.70 0.90 0.50 ! assign ( resid 304 and name hg1# ) ((resid 107 and name ha1 ) or ( resid 107 and name ha2 )) 3.50 1.70 0.80 ! assign ( resid 304 and name hb ) ( resid 131 and name hd1# ) 2.70 0.90 0.50 !xf10/27 assign ( resid 304 and name hg1# ) ( resid 131 and name hd1# ) 3.50 1.70 1.00 ! assign ( resid 304 and name hg1# ) ( resid 131 and name hd2# ) 5.00 3.20 1.00 ! assign ( resid 304 and name hg1# ) ( resid 132 and name hg2# ) 5.00 3.20 1.00 ! assign ( resid 304 and name hg2# ) ( resid 132 and name hg2# ) 5.00 3.20 1.00 !3/17hhcnoe assign ( resid 304 and name hg1# ) ( resid 135 and name hd1# ) 3.50 1.70 1.00 ! assign ( resid 304 and name hg1# ) ( resid 135 and name hd2# ) 5.00 3.20 1.00 ! assign ( resid 304 and name hg1# ) ( resid 138 and name hg2# ) 5.00 3.20 1.00 !138hc8/15 !GLU305 assign ( resid 305 and name hn ) ( resid 306 and name hn ) 2.70 0.90 0.00 ! assign ( resid 305 and name ha ) ( resid 308 and name hn ) 3.50 1.70 0.00 !hhnnoe3/18 assign ( resid 305 and name ha ) ( resid 308 and name he3 ) 5.00 3.20 0.00 !hhcnoe3/18 !ILE306 assign ( resid 306 and name hn ) ( resid 307 and name hn ) 2.70 0.90 0.00 ! assign ( resid 306 and name ha ) ( resid 309 and name hb# ) 5.00 3.20 0.50 !ccnoe,106ha ov 109ha assign ( resid 306 and name hg2# ) ( resid 309 and name hb# ) 5.00 3.20 1.00 !ccnoe assign ( resid 306 and name hg2# ) ( resid 316 and name hd1# ) 5.00 3.20 1.00 !ccnoe3/18 assign ( resid 306 and name hd1# ) ( resid 318 and name hd2# ) 3.50 1.70 1.00 !ccnoe3/18 assign ( resid 306 and name hd1# ) ( resid 318 and name hd1# ) 3.50 1.70 1.00 !ccnoe3/18 assign ( resid 306 and name hg2# ) ( resid 318 and name hd2# ) 5.00 3.20 1.00 !ccnoe3/18 assign ( resid 306 and name hg2# ) ( resid 318 and name hd1# ) 5.00 3.20 1.00 !ccnoe3/18 assign ( resid 306 and name hd1# ) ((resid 328 and name he1 ) or ( resid 328 and name he2 )) 5.00 3.20 0.80 !hhcnoe3/18, sd from 132? assign ( resid 306 and name hd1# ) ( resid 332 and name hg2# ) 3.50 1.70 1.00 !ccnoe assign ( resid 306 and name hd1# ) ( resid 332 and name hg1# ) 5.00 3.20 1.00 !ccnoe assign ( resid 306 and name hg2# ) ( resid 332 and name hg2# ) 5.00 3.20 1.00 !ccnoe8/15 assign ( resid 306 and name hg2# ) ( resid 335 and name hd1# ) 3.50 1.70 1.00 !ccnoe assign ( resid 306 and name hg2# ) ( resid 335 and name hd2# ) 3.50 1.70 1.00 !ccnoe3/18 !GLY307 assign ( resid 307 and name hn ) ( resid 308 and name hn ) 2.70 0.90 0.00 ! assign ((resid 307 and name ha1 ) or ( resid 307 and name ha2 )) ( resid 310 and name hn ) 5.00 3.20 0.30 ! assign ((resid 307 and name ha1 ) or ( resid 307 and name ha2 )) ( resid 311 and name hn ) 5.00 3.20 0.30 !hhnnoe3/18 assign ((resid 307 and name ha1 ) or ( resid 307 and name ha2 )) ( resid 311 and name hb# ) 5.00 3.20 0.80 ! !TRP308 assign ( resid 308 and name hn ) ( resid 309 and name hn ) 2.70 0.90 0.00 ! assign ( resid 308 and name ha ) ( resid 311 and name hn ) 3.50 1.70 0.00 ! assign ( resid 308 and name ha ) ( resid 111 and name hb# ) 3.50 1.70 0.50 !xf10/27 assign ( resid 308 and name he1 ) ( resid 110 and name hg ) 5.00 3.20 0.00 !hhnnoe assign ( resid 308 and name hd1 ) ( resid 111 and name hb# ) 3.50 1.70 0.50 ! assign ( resid 308 and name he1 ) ( resid 111 and name hb# ) 3.50 1.70 0.50 ! assign ( resid 308 and name hd1 ) ( resid 111 and name hn ) 3.50 1.70 0.00 ! assign ( resid 308 and name he1 ) ( resid 111 and name hn ) 5.00 3.20 0.00 !hhnnoe assign ( resid 308 and name he1 ) ( resid 111 and name ha ) 5.00 3.20 0.00 !hhnnoe assign ( resid 308 and name hz2 ) ( resid 131 and name hd2# ) 5.00 3.20 0.50 ! assign ( resid 308 and name hz3 ) ( resid 131 and name hd2# ) 3.50 1.70 0.50 ! assign ( resid 308 and name he3 ) ( resid 131 and name hd2# ) 3.50 1.70 0.50 ! assign ( resid 308 and name hz3 ) ( resid 131 and name hd1# ) 5.00 3.20 0.50 ! assign ( resid 308 and name he3 ) ( resid 131 and name hd1# ) 5.00 3.20 0.50 ! assign ( resid 308 and name hz2 ) ( resid 135 and name hd1# ) 3.50 1.70 0.50 ! assign ( resid 308 and name hh2 ) ( resid 135 and name hd1# ) 5.00 3.20 0.50 ! assign ( resid 308 and name hz2 ) ( resid 138 and name hg2# ) 3.50 1.70 0.50 ! assign ( resid 308 and name hh2 ) ( resid 138 and name hg2# ) 5.00 3.20 0.50 ! !ALA309 assign ( resid 309 and name hn ) ( resid 310 and name hn ) 2.70 0.90 0.00 ! assign ( resid 309 and name ha ) ( resid 312 and name hn ) 3.50 1.70 0.00 !3/19 assign ( resid 309 and name ha ) ((resid 312 and name hb1 ) or ( resid 312 and name hb2 )) 5.00 3.20 0.30 !cccnoe3/19 assign ( resid 309 and name ha ) ((resid 312 and name hd1 ) or ( resid 312 and name hd2 )) 5.00 3.20 0.30 !hhcnoe assign ( resid 309 and name ha ) ( resid 314 and name hn ) 3.50 1.70 0.00 !3/19 assign ( resid 309 and name hb# ) ( resid 314 and name hn ) 5.00 3.20 0.50 ! assign ( resid 309 and name hb# ) ((resid 314 and name hb1 ) or ( resid 314 and name hb2 )) 5.00 3.20 0.80 !109ccnoe assign ( resid 309 and name hb# ) ( resid 315 and name ha ) 5.00 3.20 0.50 !ccnoe3/19 assign ( resid 309 and name hb# ) ( resid 316 and name hd1# ) 2.70 0.90 1.00 !ccnoe assign ( resid 309 and name hb# ) ((resid 316 and name hg11 ) or ( resid 316 and name hg12 )) 5.00 3.20 0.80 !ccnoe3/19 assign ( resid 309 and name hb# ) ( resid 335 and name hd1# ) 5.00 3.20 1.00 !135hhcnoe3/19 assign ( resid 309 and name hb# ) ( resid 341 and name hg2# ) 5.00 3.20 1.00 !109ccnoe3/19,stronger to mg2 assign ( resid 309 and name hn ) ( resid 111 and name hb# ) 5.00 3.20 0.50 !real peak, due to dimer??? !SER310 assign ( resid 310 and name hn ) ( resid 311 and name hn ) 2.70 0.90 0.00 ! assign ( resid 310 and name hn ) ( resid 316 and name hd1# ) 5.00 3.20 0.50 !hhn8/15 assign ( resid 310 and name ha ) ( resid 316 and name hd1# ) 3.50 1.70 0.50 !110ccnoe,hhcnoe assign ( resid 310 and name ha ) ( resid 335 and name hd1# ) 5.00 3.20 0.50 !110hhcnoe072816 assign ( resid 310 and name ha ) ( resid 339 and name hb# ) 5.00 3.20 0.50 !110ccnoe040516 assign ((resid 310 and name hb1 ) or ( resid 310 and name hb2 )) ( resid 316 and name hd1# ) 3.50 1.70 0.80 ! assign ((resid 310 and name hb1 ) or ( resid 310 and name hb2 )) ( resid 335 and name hd1# ) 3.50 1.70 0.80 !ccnoe assign ((resid 310 and name hb1 ) or ( resid 310 and name hb2 )) ( resid 339 and name hb# ) 3.50 1.70 0.80 !ccnoe0405 !ALA311 assign ( resid 311 and name hn ) ( resid 312 and name hn ) 2.70 0.90 0.00 ! assign ( resid 311 and name hn ) ((resid 112 and name hd1 ) or ( resid 112 and name hd2 )) 3.50 1.70 0.30 ! assign ( resid 311 and name hn ) ((resid 112 and name he1 ) or ( resid 112 and name he2 )) 5.00 3.20 0.30 ! assign ( resid 311 and name ha ) ((resid 112 and name he1 ) or ( resid 112 and name he2 )) 5.00 3.20 0.30 ! assign ( resid 311 and name hb# ) ( resid 111 and name ha ) 5.00 3.20 0.50 !xf10/27 assign ( resid 311 and name hb# ) ( resid 111 and name hb# ) 3.50 1.70 1.00 !xf10/27 assign ( resid 311 and name hb# ) ( resid 112 and name ha ) 5.00 3.20 0.50 !hhcnoe0405 assign ( resid 311 and name hb# ) ((resid 112 and name hd1 ) or ( resid 112 and name hd2 )) 2.70 0.90 0.80 ! assign ( resid 311 and name hb# ) ((resid 112 and name he1 ) or ( resid 112 and name he2 )) 3.50 1.70 0.80 ! !PHE312 assign ( resid 312 and name hn ) ( resid 313 and name hn ) 2.70 0.90 0.00 ! assign ( resid 312 and name hn ) ( resid 314 and name hn ) 5.00 3.20 0.00 ! assign ((resid 312 and name hb1 ) or ( resid 312 and name hb2 )) ( resid 314 and name hn ) 3.50 1.70 0.30 !0405 assign ((resid 312 and name hd1 ) or ( resid 312 and name hd2 )) ( resid 314 and name hn ) 3.50 1.70 0.30 ! assign ((resid 312 and name hd1 ) or ( resid 312 and name hd2 )) ((resid 314 and name he1 ) or ( resid 314 and name he2 )) 5.00 3.20 0.60 !2/12 assign ((resid 312 and name hd1 ) or ( resid 312 and name hd2 )) ((resid 112 and name hd1 ) or ( resid 112 and name hd2 )) 5.00 3.20 0.60 !xf10/31 !ASP313 assign ( resid 313 and name hn ) ( resid 314 and name hn ) 2.70 0.90 0.00 ! assign ( resid 313 and name ha ) ( resid 339 and name hb# ) 3.50 1.70 0.50 !ccnoe,hhcnoe0405 assign ((resid 313 and name hb1 ) or ( resid 313 and name hb2 )) ( resid 339 and name hb# ) 5.00 3.20 0.80 !113cb ov 168cb assign ((resid 313 and name hb1 ) or ( resid 313 and name hb2 )) ( resid 367 and name hg1# ) 5.00 3.20 0.80 !hhcnoe0803 !PRO315 assign ( resid 315 and name ha ) ( resid 316 and name hn ) 2.70 0.90 0.00 ! 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assign ((resid 318 and name hb1 ) or ( resid 318 and name hb2 )) ( resid 320 and name hd1# ) 5.00 3.20 0.80 !ccnoe8/15 assign ( resid 318 and name hd1# ) ( resid 320 and name hd1# ) 5.00 3.20 1.00 !hhcnoe assign ( resid 318 and name hd1# ) ( resid 320 and name hd2# ) 5.00 3.20 1.00 !hhcnoe assign ( resid 318 and name hd2# ) ( resid 320 and name hd2# ) 5.00 3.20 1.00 ! assign ( resid 318 and name hd1# ) ( resid 332 and name ha ) 5.00 3.20 0.50 !118cc8/15 assign ( resid 318 and name hd1# ) ( resid 332 and name hg1# ) 3.50 1.70 1.00 ! assign ( resid 318 and name hd2# ) ( resid 332 and name hg1# ) 5.00 3.20 1.00 ! assign ( resid 318 and name hd1# ) ( resid 335 and name hd1# ) 5.00 3.20 1.00 !135cc8/15 assign ( resid 318 and name hd1# ) ( resid 335 and name hd2# ) 5.00 3.20 1.00 !135cc8/15 assign ( resid 318 and name hd1# ) ( resid 341 and name hg1# ) 3.50 1.70 1.00 !118hc8/15 assign ( resid 318 and name hd2# ) ( resid 341 and name hg1# ) 3.50 1.70 1.00 !118hc8/15 assign ( resid 318 and name hd1# ) ((resid 343 and name hd1 ) or ( resid 343 and name hd2 )) 3.50 1.70 0.80 !hhcnoe, wk sys assign ( resid 318 and name hd1# ) ((resid 343 and name he1 ) or ( resid 343 and name he2 )) 5.00 3.20 0.80 !hhcone !LEU319 assign ( resid 319 and name ha ) ( resid 320 and name hn ) 2.70 0.90 0.00 ! assign ( resid 319 and name ha ) ( resid 344 and name hn ) 3.50 1.70 0.00 ! assign ( resid 319 and name ha ) ( resid 344 and name hg1# ) 5.00 3.20 0.50 !8/15 assign ( resid 319 and name ha ) ( resid 344 and name hg2# ) 5.00 3.20 0.50 !8/15 assign ( resid 319 and name hd2# ) ( resid 344 and name hn ) 5.00 3.20 0.50 !119hc8/15 assign ( resid 319 and name hd2# ) ( resid 344 and name hg1# ) 2.70 0.90 1.00 !hhcnoe assign ( resid 319 and name hd2# ) ( resid 344 and name hg2# ) 2.70 0.90 1.00 !ccnoe assign ( resid 319 and name hd1# ) ( resid 344 and name hg1# ) 5.00 3.20 1.00 ! assign ( resid 319 and name hd1# ) ( resid 344 and name hg2# ) 5.00 3.20 1.00 ! assign ( resid 319 and name hd2# ) ( resid 344 and name hb ) 3.50 1.70 0.50 !072816ccnoe assign ( resid 319 and name hd2# ) ( resid 345 and name ha ) 5.00 3.20 0.50 !119hc8/15 assign ( resid 319 and name hd1# ) ((resid 346 and name hd1 ) or ( resid 346 and name hd2 )) 3.50 1.70 0.80 !hhcnoe assign ( resid 319 and name hd1# ) ((resid 346 and name he1 ) or ( resid 346 and name he2 )) 3.50 1.70 0.80 !hhcnoe assign ( resid 319 and name hd2# ) ((resid 346 and name hd1 ) or ( resid 346 and name hd2 )) 3.50 1.70 0.80 !hhcnoe assign ( resid 319 and name hd2# ) ((resid 346 and name he1 ) or ( resid 346 and name he2 )) 3.50 1.70 0.80 !hhcnoe assign ( resid 319 and name hd2# ) ( resid 349 and name ha ) 5.00 3.20 0.50 !119cc8/15 assign ( resid 319 and name hd1# ) ( resid 349 and name hd1# ) 3.50 1.70 1.00 ! 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assign ((resid 322 and name hg1 ) or ( resid 322 and name hg2 )) ( resid 345 and name hd2 ) 5.00 3.20 0.30 !hhcnoe assign ((resid 322 and name hg1 ) or ( resid 322 and name hg2 )) ((resid 347 and name hb1 ) or ( resid 347 and name hb2 )) 5.00 3.20 0.60 !ccnoe assign ((resid 322 and name hg1 ) or ( resid 322 and name hg2 )) ((resid 347 and name hg1 ) or ( resid 347 and name hg2 )) 3.50 1.70 0.60 !ccnoe assign ((resid 322 and name hg1 ) or ( resid 322 and name hg2 )) ((resid 347 and name hd1 ) or ( resid 347 and name hd2 )) 5.00 3.20 0.60 !ccnoe assign ((resid 322 and name hg1 ) or ( resid 322 and name hg2 )) ((resid 347 and name he1 ) or ( resid 347 and name he2 )) 3.50 1.70 0.60 !ccnoe !GLY323 assign ( resid 323 and name hn ) ( resid 324 and name hn ) 3.50 1.70 0.00 ! !ARG324 assign ( resid 324 and name hn ) ( resid 325 and name hn ) 2.70 0.90 0.00 ! assign ( resid 324 and name ha ) ( resid 327 and name hn ) 3.50 1.70 0.00 !hhnnoe9/8 assign ( resid 324 and name ha ) ((resid 327 and name hb1 ) or ( resid 327 and name hb2 )) 5.00 3.20 0.30 !ccnoe9/8 assign ( resid 324 and name ha ) ((resid 327 and name hg1 ) or ( resid 327 and name hg2 )) 3.50 1.70 0.30 !hc9/8 !GLU325 assign ( resid 325 and name hn ) ( resid 326 and name hn ) 2.70 0.90 0.00 ! assign ( resid 325 and name hn ) ((resid 328 and name hd1 ) or ( resid 328 and name hd2 )) 2.70 0.90 0.30 !hhnoe assign ( resid 325 and name ha ) ( resid 328 and name hn ) 3.50 1.70 0.00 !hhnnoe9/8 assign ( resid 325 and name ha ) ((resid 328 and name hd1 ) or ( resid 328 and name hd2 )) 3.50 1.70 0.30 !hhcnoe12/26 assign ( resid 325 and name ha ) ((resid 328 and name he1 ) or ( resid 328 and name he2 )) 5.00 3.20 0.30 !hhcnoe12/26 assign ( resid 325 and name ha ) ( resid 332 and name hg1# ) 5.00 3.20 0.50 !ccnoe11/20 assign ((resid 325 and name hg1 ) or ( resid 325 and name hg2 )) ((resid 328 and name hd1 ) or ( resid 328 and name hd2 )) 5.00 3.20 0.60 ! assign ((resid 325 and name hg1 ) or ( resid 325 and name hg2 )) ((resid 328 and name he1 ) or ( resid 328 and name he2 )) 5.00 3.20 0.60 ! assign ((resid 325 and name hg1 ) or ( resid 325 and name hg2 )) ( resid 332 and name hg1# ) 5.00 3.20 0.80 !ccnoe11/20 assign ((resid 325 and name hg1 ) or ( resid 325 and name hg2 )) ((resid 333 and name hd1 ) or ( resid 333 and name hd2 )) 5.00 3.20 0.60 !ccnoe11/20 assign ((resid 325 and name hg1 ) or ( resid 325 and name hg2 )) ( resid 345 and name he1 ) 3.50 1.70 0.30 !hhcnoe8/15 assign ( resid 325 and name ha ) ( resid 328 and name hb2 ) 2.70 0.90 0.00 !add 02/17/17 !GLU326 assign ( resid 326 and name hn ) ( resid 327 and name hn ) 2.70 0.90 0.00 ! assign ( resid 326 and name hn ) ((resid 328 and name hd1 ) or ( resid 328 and name hd2 )) 5.00 3.20 0.30 ! assign ( resid 326 and name ha ) ((resid 333 and name hd1 ) or ( resid 333 and name hd2 )) 5.00 3.20 0.30 !ccnoe11/20 assign ((resid 326 and name hg1 ) or ( resid 326 and name hg2 )) ((resid 333 and name hd1 ) or ( resid 333 and name hd2 )) 5.00 3.20 0.60 !ccnoe11/20 !GLU327 assign ( resid 327 and name hn ) ( resid 328 and name hn ) 3.50 1.70 0.00 ! assign ( resid 327 and name hn ) ((resid 328 and name hd1 ) or ( resid 328 and name hd2 )) 3.50 1.70 0.30 !hhnoe !TYR328 assign ( resid 328 and name ha ) ((resid 328 and name hd1 ) or ( resid 328 and name hd2 )) 3.50 1.70 0.30 !fix the ring conformation assign ( resid 328 and name ha ) ((resid 328 and name he1 ) or ( resid 328 and name he2 )) 3.50 1.70 0.30 !fix the ring conformation assign ((resid 328 and name hb1 ) or ( resid 328 and name hb2 )) ( resid 331 and name hn ) 3.50 1.70 0.30 !hhnnoe12/08 assign ((resid 328 and name hb1 ) or ( resid 328 and name hb2 )) ( resid 332 and name hg1# ) 3.50 1.70 0.80 !132ccnoe11/26 tightened assign ((resid 328 and name hb1 ) or ( resid 328 and name hb2 )) ( resid 332 and name hg2# ) 3.50 1.70 0.80 !132ccnoe10/3 2/26/17 tightened assign ((resid 328 and name he1 ) or ( resid 328 and name he2 )) ( resid 332 and name hg2# ) 5.00 3.20 0.80 ! assign ((resid 328 and name he1 ) or ( resid 328 and name he2 )) ( resid 332 and name hg1# ) 5.00 3.20 0.80 ! assign ((resid 328 and name hd1 ) or ( resid 328 and name hd2 )) ( resid 332 and name hg1# ) 3.50 1.70 0.80 !hhcnoe ov with 143hz 2/26/17 tightened assign ((resid 328 and name hd1 ) or ( resid 328 and name hd2 )) ( resid 332 and name hg2# ) 3.50 1.70 0.80 !2/26/17 tightened assign ( resid 328 and name ha ) ( resid 332 and name hn ) 5.00 3.20 0.00 !hhnNOE 01/31/17 assign ((resid 328 and name hb1 ) or ( resid 328 and name hb2 )) ( resid 332 and name hn ) 5.00 3.20 0.30 !hhnNOE 01/31/17 assign ( resid 328 and name hn ) ( resid 328 and name hb2 ) 2.70 0.90 0.00 !add 02/17/17 !GLY329 assign ((resid 329 and name ha1 ) or ( resid 329 and name ha2 )) ( resid 332 and name hg2# ) 5.00 3.20 0.80 !132ccnoe10/3 !PHE330 assign ( resid 330 and name ha ) ( resid 333 and name hn ) 5.00 3.20 0.00 !hhnoe !LEU331 assign ( resid 331 and name hn ) ( resid 332 and name hn ) 3.50 1.70 0.00 !hhnnoe8/15,can be deleted assign ( resid 331 and name ha ) ( resid 334 and name hn ) 5.00 3.20 0.00 !hhnoe9/8 assign ( resid 331 and name ha ) ( resid 335 and name hd1# ) 5.00 3.20 0.50 !hhcnoe9/8 assign ( resid 331 and name hd2# ) ( resid 338 and name hg2# ) 5.00 3.20 1.00 !cc8/15 assign ( resid 331 and name hd1# ) ( resid 338 and name hg2# ) 5.00 3.20 1.00 !cc8/15 !VAL332 assign ( resid 332 and name hn ) ( resid 333 and name hn ) 2.70 0.90 0.00 ! assign ( resid 332 and name ha ) ( resid 335 and name hn ) 3.50 1.70 0.00 !hhnnoe9/8 assign ( resid 332 and name ha ) ( resid 335 and name hd1# ) 3.50 1.70 0.50 !cc/hc9/8 assign ( resid 332 and name hg1# ) ((resid 343 and name he1 ) or ( resid 343 and name he2 )) 3.50 1.70 0.80 !hc8/15,can be relaxed assign ( resid 332 and name hg1# ) ( resid 343 and name hz ) 3.50 1.70 0.50 !hc8/15,can be relaxed !ARG333 assign ( resid 333 and name hn ) ( resid 334 and name hn ) 3.50 1.70 0.00 ! assign ( resid 333 and name ha ) ( resid 336 and name hn ) 5.00 3.20 0.00 !hhnnoe9/8 assign ( resid 333 and name ha ) ((resid 343 and name he1 ) or ( resid 343 and name he2 )) 3.50 1.70 0.30 !hhcnoe assign ( resid 333 and name ha ) ( resid 343 and name hz ) 3.50 1.70 0.00 !hhcone !GLY334 assign ( resid 334 and name hn ) ( resid 335 and name hn ) 3.50 1.70 0.00 ! assign ((resid 334 and name ha1 ) or ( resid 334 and name ha2 )) ( resid 337 and name hn ) 5.00 3.20 0.30 !hhnnoe9/8 assign ((resid 334 and name ha1 ) or ( resid 334 and name ha2 )) ( resid 337 and name hg2# ) 3.50 1.70 0.80 !ccnoe9/8 assign ((resid 334 and name ha1 ) or ( resid 334 and name ha2 )) ( resid 338 and name hg2# ) 5.00 3.20 0.80 !ccnoe2/9 !LEU335 assign ( resid 335 and name hn ) ( resid 336 and name hn ) 2.70 0.90 0.00 !hhnoe,12/26 assign ( resid 335 and name hn ) ( resid 343 and name hz ) 3.50 1.70 0.00 !hhnoe assign ( resid 335 and name ha ) ( resid 337 and name hg2# ) 5.00 3.20 0.50 !ccnoe8/15 assign ( resid 335 and name ha ) ( resid 338 and name hn ) 3.50 1.70 0.00 !hhnnoe8/15 assign ( resid 335 and name ha ) ( resid 339 and name hn ) 3.50 1.70 0.00 !hhnnoe8/15 assign ( resid 335 and name ha ) ( resid 338 and name hg1# ) 5.00 3.20 0.50 !ccnoe assign ( resid 335 and name ha ) ( resid 338 and name hg2# ) 3.50 1.70 0.50 !ccnoe assign ( resid 335 and name ha ) ( resid 339 and name hb# ) 5.00 3.20 0.50 !ccnoe8/15 assign ((resid 335 and name hb1 ) or ( resid 335 and name hb2 )) ( resid 341 and name hg2# ) 5.00 3.20 0.80 !141cc8/15 assign ( resid 335 and name hd1# ) ( resid 338 and name hn ) 5.00 3.20 0.50 !can be sd assign ( resid 335 and name hd1# ) ( resid 338 and name hg2# ) 3.50 1.70 1.00 ! assign ( resid 335 and name hd2# ) ( resid 338 and name hg2# ) 5.00 3.20 1.00 ! assign ( resid 335 and name hd1# ) ( resid 339 and name hb# ) 5.00 3.20 1.00 ! assign ( resid 335 and name hd2# ) ( resid 339 and name hb# ) 5.00 3.20 1.00 ! assign ( resid 335 and name hd1# ) ( resid 341 and name hg2# ) 3.50 1.70 1.00 !cc/hc8/15 assign ( resid 335 and name hd2# ) ( resid 341 and name hg2# ) 5.00 3.20 1.00 !cc/hc8/15 assign ( resid 335 and name hd2# ) ( resid 341 and name hg1# ) 5.00 3.20 1.00 !cc/hc8/15 assign ( resid 335 and name hd1# ) ( resid 341 and name hg1# ) 3.50 1.70 1.00 !cc/hc8/15 assign ( resid 335 and name hd2# ) ( resid 343 and name hz ) 5.00 3.20 0.50 ! assign ( resid 335 and name hd2# ) ((resid 343 and name he1 ) or ( resid 343 and name he2 )) 5.00 3.20 0.80 ! !GLY336 assign ( resid 336 and name hn ) ( resid 337 and name hn ) 2.70 0.90 0.00 ! assign ( resid 336 and name hn ) ( resid 339 and name hn ) 5.00 3.20 0.00 !relaxed,12/26 assign ( resid 336 and name hn ) ( resid 337 and name hg2# ) 3.50 1.70 0.50 ! assign ( resid 336 and name hn ) ( resid 341 and name hg2# ) 3.50 1.70 0.50 ! assign ( resid 336 and name hn ) ( resid 341 and name hg1# ) 3.50 1.70 0.50 !hhnoe,12/26 assign ( resid 336 and name hn ) ( resid 343 and name hz ) 3.50 1.70 0.00 !hhnoe assign ( resid 336 and name hn ) ((resid 343 and name he1 ) or ( resid 343 and name he2 )) 3.50 1.70 0.30 !hhnoe,12/26 assign ((resid 336 and name ha1 ) or ( resid 336 and name ha2 )) ( resid 337 and name hg2# ) 5.00 3.20 0.80 ! assign ((resid 336 and name ha1 ) or ( resid 336 and name ha2 )) ( resid 341 and name hg1# ) 5.00 3.20 0.80 !cnoe/12/23 assign ((resid 336 and name ha1 ) or ( resid 336 and name ha2 )) ( resid 341 and name hg2# ) 3.50 1.70 0.80 !cnoe/12/23 !THR337 assign ( resid 337 and name hn ) ( resid 338 and name hn ) 2.70 0.90 0.00 ! assign ( resid 337 and name hg2# ) ( resid 338 and name ha ) 5.00 3.20 0.50 !138ov74 assign ( resid 337 and name hg2# ) ( resid 338 and name hg1# ) 3.50 1.70 1.00 ! !VAL338 assign ( resid 338 and name hn ) ( resid 339 and name hn ) 2.70 0.90 0.00 ! assign ( resid 338 and name hn ) ( resid 341 and name hg2# ) 5.00 3.20 0.50 ! assign ( resid 338 and name hg2# ) ( resid 341 and name hg2# ) 5.00 3.20 1.00 !ccnoe,hhcnoe,12/26 !ALA339 assign ( resid 339 and name hn ) ( resid 341 and name hg2# ) 3.50 1.70 0.50 !hhnoe,12/26 assign ( resid 339 and name hn ) ( resid 341 and name hg1# ) 5.00 3.20 0.50 ! assign ( resid 339 and name ha ) ( resid 340 and name hn ) 2.70 0.90 0.00 !hhnoe,12/26 assign ( resid 339 and name ha ) ( resid 367 and name hg1# ) 5.00 3.20 0.50 !ccnoe,12/26 assign ( resid 339 and name ha ) ( resid 367 and name hg2# ) 5.00 3.20 0.50 !ccnoe/12/26 assign ( resid 339 and name hb# ) ( resid 341 and name hg1# ) 5.00 3.20 1.00 !hhcnoe,12/26 assign ( resid 339 and name hb# ) ( resid 341 and name hg2# ) 2.70 0.90 1.00 !hhcnoe,12/26 !ALA340 assign ( resid 340 and name ha ) ( resid 341 and name hn ) 2.70 0.90 0.00 ! assign ( resid 340 and name ha ) ( resid 341 and name hg2# ) 5.00 3.20 0.50 !141cc8/15 assign ( resid 340 and name ha ) ( resid 367 and name hg2# ) 5.00 3.20 0.50 ! assign ( resid 340 and name hb# ) ( resid 363 and name ha ) 5.00 3.20 0.50 !163cc8/15 assign ( resid 340 and name hb# ) ( resid 363 and name hg2# ) 3.50 1.70 1.00 !ccnoe assign ( resid 340 and name hb# ) ((resid 366 and name hg1 ) or ( resid 366 and name hg2 )) 3.50 1.70 0.80 !ccnoe,hhcnoe12/26 assign ( resid 340 and name hb# ) ((resid 366 and name hd1 ) or ( resid 366 and name hd2 )) 3.50 1.70 0.80 !ccnoe,hhcnoe12/26 assign ( resid 340 and name hb# ) ( resid 367 and name ha ) 5.00 3.20 0.50 ! assign ( resid 340 and name hb# ) ( resid 367 and name hg2# ) 2.70 0.90 1.00 ! assign ( resid 340 and name hb# ) ( resid 367 and name hg1# ) 3.50 1.70 1.00 ! !VAL341 assign ( resid 341 and name ha ) ( resid 342 and name hn ) 2.70 0.90 0.00 !mdf 12/23 assign ( resid 341 and name ha ) ( resid 363 and name hg2# ) 5.00 3.20 0.50 !163hc8/15 assign ( resid 341 and name hg1# ) ( resid 342 and name hn ) 2.70 0.90 0.50 ! assign ( resid 341 and name hg1# ) ((resid 343 and name hd1 ) or ( resid 343 and name hd2 )) 3.50 1.70 0.80 ! assign ( resid 341 and name hg1# ) ((resid 343 and name he1 ) or ( resid 343 and name he2 )) 3.50 1.70 0.80 ! assign ( resid 341 and name hg1# ) ( resid 343 and name hz ) 3.50 1.70 0.50 ! !GLU342 assign ( resid 342 and name ha ) ( resid 343 and name hn ) 2.70 0.90 0.00 ! assign ( resid 342 and name ha ) ( resid 359 and name hb# ) 5.00 3.20 0.50 !cc8/15,sp through bg(no h assig) assign ((resid 342 and name hb1 ) or ( resid 342 and name hb2 )) ( resid 363 and name hg2# ) 3.50 1.70 0.80 !163cc8/15 assign ((resid 342 and name hg1 ) or ( resid 342 and name hg2 )) ( resid 363 and name hg2# ) 5.00 3.20 0.80 !163cc8/15 assign ((resid 342 and name hb1 ) or ( resid 342 and name hb2 )) ( resid 363 and name hg1# ) 5.00 3.20 0.80 !163cc8/15 !PHE343 assign ( resid 343 and name ha ) ( resid 344 and name hn ) 2.70 0.90 0.00 !mdf 12/23 143hhcnoe assign ( resid 343 and name ha ) ( resid 344 and name hg2# ) 3.50 1.70 0.50 !cc8/15 assign ((resid 343 and name hd1 ) or ( resid 343 and name hd2 )) ( resid 344 and name hn ) 3.50 1.70 0.30 !modified 12/23 !VAL344 assign ( resid 344 and name ha ) ( resid 345 and name hn ) 2.70 0.90 0.00 ! assign ( resid 344 and name hg1# ) ( resid 345 and name hn ) 2.70 0.90 0.50 ! assign ( resid 344 and name hg1# ) ( resid 346 and name ha ) 5.00 3.20 0.50 !ccnoe assign ( resid 344 and name hg1# ) ((resid 346 and name hd1 ) or ( resid 346 and name hd2 )) 3.50 1.70 0.80 !hhcnoe assign ( resid 344 and name hg1# ) ((resid 346 and name he1 ) or ( resid 346 and name he2 )) 5.00 3.20 0.80 !hhcnoe assign ( resid 344 and name hg1# ) ( resid 352 and name ha ) 5.00 3.20 0.50 !ccnoe assign ( resid 344 and name hg1# ) ( resid 355 and name hn ) 5.00 3.20 0.50 !hhnnoe 12/23 assign ( resid 344 and name hg2# ) ( resid 355 and name hn ) 5.00 3.20 0.50 !hhnnoe 12/23 assign ( resid 344 and name hg1# ) ( resid 355 and name ha ) 5.00 3.20 0.50 !c13noe relaxed 12/23 assign ( resid 344 and name hg2# ) ( resid 355 and name ha ) 5.00 3.20 0.50 ! assign ( resid 344 and name hg1# ) ((resid 355 and name hg1 ) or ( resid 355 and name hg2 )) 2.70 0.90 0.80 !c13noe assign ( resid 344 and name hg2# ) ((resid 355 and name hg1 ) or ( resid 355 and name hg2 )) 2.70 0.90 0.80 !c13noe assign ( resid 344 and name hg2# ) ((resid 355 and name hb1 ) or ( resid 355 and name hb2 )) 3.50 1.70 0.80 ! assign ( resid 344 and name hg1# ) ( resid 356 and name hn ) 5.00 3.20 0.50 !hhnnoe 12/23 assign ( resid 344 and name hg1# ) ( resid 356 and name ha ) 5.00 3.20 0.50 !ccnoe assign ( resid 344 and name hg2# ) ( resid 356 and name ha ) 3.50 1.70 0.50 !ccnoe assign ( resid 344 and name hg2# ) ( resid 356 and name hd1# ) 3.50 1.70 1.00 !ccnoe 12/23 assign ( resid 344 and name hg2# ) ( resid 359 and name hb# ) 3.50 1.70 1.00 !144ccnoe !HIS345 assign ( resid 345 and name ha ) ( resid 346 and name hn ) 2.70 0.90 0.00 ! assign ( resid 345 and name ha ) ((resid 346 and name hd1 ) or ( resid 346 and name hd2 )) 5.00 3.20 0.30 !hhcnoe !TYR346 assign ( resid 346 and name ha ) ( resid 352 and name hb# ) 3.50 1.70 0.50 !hhcnoe assign ( resid 346 and name ha ) ( resid 349 and name hd1# ) 5.00 3.20 0.50 !ccnoe assign ((resid 346 and name hb1 ) or ( resid 346 and name hb2 )) ( resid 352 and name hb# ) 3.50 1.70 0.80 !ccnoe8/15 assign ((resid 346 and name hd1 ) or ( resid 346 and name hd2 )) ( resid 347 and name ha ) 5.00 3.20 0.30 ! assign ((resid 346 and name he1 ) or ( resid 346 and name he2 )) ( resid 347 and name ha ) 5.00 3.20 0.30 ! assign ((resid 346 and name hd1 ) or ( resid 346 and name hd2 )) ( resid 348 and name ha ) 5.00 3.20 0.30 !hhcnoe assign ((resid 346 and name hd1 ) or ( resid 346 and name hd2 )) ( resid 349 and name ha ) 5.00 3.20 0.30 !hhcnoe assign ((resid 346 and name hd1 ) or ( resid 346 and name hd2 )) ( resid 349 and name hd1# ) 3.50 1.70 0.80 ! assign ((resid 346 and name he1 ) or ( resid 346 and name he2 )) ( resid 349 and name hd1# ) 3.50 1.70 0.80 ! assign ((resid 346 and name hd1 ) or ( resid 346 and name hd2 )) ( resid 352 and name ha ) 5.00 3.20 0.30 !hhcnoe assign ((resid 346 and name hd1 ) or ( resid 346 and name hd2 )) ( resid 352 and name hb# ) 3.50 1.70 0.80 !hhcnoe assign ((resid 346 and name he1 ) or ( resid 346 and name he2 )) ( resid 352 and name hb# ) 5.00 3.20 0.80 !hhcnoe !LYS347 assign ((resid 347 and name hb1 ) or ( resid 347 and name hb2 )) ((resid 348 and name hb1 ) or ( resid 348 and name hb2 )) 5.00 3.20 0.60 !hc/cc8/15 assign ((resid 347 and name hb1 ) or ( resid 347 and name hb2 )) ( resid 351 and name hd1# ) 5.00 3.20 0.80 !hc/cc8/15 assign ((resid 347 and name hb1 ) or ( resid 347 and name hb2 )) ( resid 351 and name hd2# ) 5.00 3.20 0.80 !hc8/15 assign ((resid 347 and name he1 ) or ( resid 347 and name he2 )) ( resid 351 and name hd1# ) 5.00 3.20 0.80 !hc/cc8/15 !ASP348 assign ( resid 348 and name ha ) ( resid 349 and name hn ) 2.70 0.90 0.00 ! assign ((resid 348 and name hb1 ) or ( resid 348 and name hb2 )) ( resid 350 and name hn ) 3.50 1.70 0.30 ! assign ((resid 348 and name hb1 ) or ( resid 348 and name hb2 )) ( resid 350 and name hb# ) 5.00 3.20 0.80 !ccnoe8/15 assign ((resid 348 and name hb1 ) or ( resid 348 and name hb2 )) ( resid 351 and name hd1# ) 2.70 0.90 0.80 ! assign ((resid 348 and name hb1 ) or ( resid 348 and name hb2 )) ( resid 351 and name hd2# ) 3.50 1.70 0.80 ! !ILE349 assign ( resid 349 and name hn ) ( resid 350 and name hn ) 2.70 0.90 0.00 ! assign ( resid 349 and name hg2# ) ( resid 350 and name hn ) 2.70 0.90 0.50 ! assign ( resid 349 and name hg2# ) ( resid 350 and name ha ) 5.00 3.20 0.50 !ccnoe assign ( resid 349 and name hg2# ) ( resid 350 and name hb# ) 5.00 3.20 1.00 !hhcnoe assign ( resid 349 and name ha ) ( resid 352 and name hb# ) 3.50 1.70 0.50 !ccnoe assign ( resid 349 and name ha ) ( resid 352 and name hn ) 5.00 3.20 0.00 !hhnnoe8/15 assign ( resid 349 and name hd1# ) ( resid 352 and name hn ) 5.00 3.20 0.50 !hhnnoe8/15 assign ( resid 349 and name hd1# ) ( resid 352 and name hb# ) 3.50 1.70 1.00 ! assign ( resid 349 and name hg2# ) ( resid 352 and name hb# ) 3.50 1.70 1.00 !hhcnoe assign ( resid 349 and name hg2# ) ( resid 352 and name hn ) 3.50 1.70 0.50 !hhnnoe8/15 assign ( resid 349 and name hg2# ) ( resid 353 and name hn ) 3.50 1.70 0.50 !hhnnoe8/15 assign ( resid 349 and name hg2# ) ((resid 353 and name he1 ) or ( resid 353 and name he2 )) 5.00 3.20 0.80 !ccnoe assign ( resid 349 and name hd1# ) ((resid 353 and name he1 ) or ( resid 353 and name he2 )) 5.00 3.20 0.80 !ccnoe8/15 assign ( resid 349 and name hd1# ) ( resid 356 and name hd1# ) 5.00 3.20 1.00 !overlaps w 93.mg assign ( resid 349 and name hd1# ) ( resid 356 and name hg2# ) 5.00 3.20 1.00 !hc8/15 !ALA350 assign ( resid 350 and name hn ) ( resid 351 and name hn ) 2.70 0.90 0.00 ! assign ( resid 350 and name hn ) ( resid 352 and name hn ) 5.00 3.20 0.00 ! assign ( resid 350 and name ha ) ( resid 353 and name hn ) 5.00 3.20 0.00 ! assign ( resid 350 and name ha ) ((resid 353 and name he1 ) or ( resid 353 and name he2 )) 3.50 1.70 0.30 ! assign ( resid 350 and name ha ) ((resid 353 and name hd1 ) or ( resid 353 and name hd2 )) 3.50 1.70 0.30 ! assign ( resid 350 and name hb# ) ( resid 351 and name hd2# ) 5.00 3.20 1.00 ! assign ( resid 350 and name hb# ) ( resid 351 and name hd1# ) 5.00 3.20 1.00 ! !LEU351 assign ( resid 351 and name hn ) ( resid 352 and name hn ) 2.70 0.90 0.00 ! assign ( resid 351 and name hn ) ( resid 353 and name hn ) 5.00 3.20 0.00 ! assign ( resid 351 and name ha ) ( resid 352 and name hn ) 3.50 1.70 0.00 ! assign ( resid 351 and name hd2# ) ((resid 354 and name hd1 ) or ( resid 354 and name hd2 )) 5.00 3.20 0.80 !hc8/15 !ALA352 assign ( resid 352 and name hn ) ( resid 353 and name hn ) 2.70 0.90 0.00 ! assign ( resid 352 and name ha ) ( resid 355 and name hn ) 3.50 1.70 0.00 ! assign ( resid 352 and name ha ) ( resid 356 and name hn ) 5.00 3.20 0.00 ! assign ( resid 352 and name ha ) ((resid 355 and name hb1 ) or ( resid 355 and name hb2 )) 3.50 1.70 0.30 !ccnoe assign ( resid 352 and name ha ) ((resid 355 and name hg1 ) or ( resid 355 and name hg2 )) 3.50 1.70 0.30 !ccnoe assign ( resid 352 and name ha ) ( resid 356 and name hd1# ) 5.00 3.20 0.50 !hc/ccnoe8/15 assign ( resid 352 and name hb# ) ( resid 356 and name hd1# ) 5.00 3.20 1.00 ! !LYS353 assign ( resid 353 and name hn ) ( resid 355 and name hn ) 5.00 3.20 0.00 ! assign ( resid 353 and name hn ) ((resid 354 and name hd1 ) or ( resid 354 and name hd2 )) 3.50 1.70 0.30 ! assign ( resid 353 and name ha ) ( resid 356 and name hn ) 5.00 3.20 0.00 ! assign ( resid 353 and name ha ) ( resid 357 and name hn ) 5.00 3.20 0.00 !8/15 assign ( resid 353 and name ha ) ( resid 356 and name hd1# ) 3.50 1.70 0.50 !can be relaxed assign ( resid 353 and name ha ) ( resid 356 and name hg2# ) 5.00 3.20 0.50 ! !PRO354 assign ( resid 354 and name ha ) ( resid 355 and name hn ) 3.50 1.70 0.00 ! assign ( resid 354 and name ha ) ( resid 357 and name hn ) 3.50 1.70 0.00 !8/15 assign ( resid 354 and name ha ) ( resid 358 and name hn ) 5.00 3.20 0.00 !8/15 assign ( resid 354 and name ha ) ((resid 357 and name hb1 ) or ( resid 357 and name hb2 )) 3.50 1.70 0.30 !ccnoe !GLN355 assign ( resid 355 and name hn ) ( resid 356 and name hn ) 2.70 0.90 0.00 ! assign ( resid 355 and name hn ) ( resid 357 and name hn ) 5.00 3.20 0.00 ! assign ( resid 355 and name ha ) ( resid 356 and name hn ) 3.50 1.70 0.00 ! assign ( resid 355 and name ha ) ( resid 358 and name hn ) 3.50 1.70 0.00 !8/15 assign ( resid 355 and name ha ) ( resid 359 and name hn ) 5.00 3.20 0.00 !8/15 assign ( resid 355 and name ha ) ( resid 358 and name hb# ) 3.50 1.70 0.50 !ccnoe !ILE356 assign ( resid 356 and name hn ) ( resid 357 and name hn ) 2.70 0.90 0.00 ! assign ( resid 356 and name hn ) ( resid 358 and name hn ) 5.00 3.20 0.00 ! assign ( resid 356 and name ha ) ( resid 359 and name hn ) 5.00 3.20 0.00 ! assign ( resid 356 and name ha ) ( resid 359 and name hb# ) 3.50 1.70 0.50 !ccnoe can be relax assign ( resid 356 and name hg2# ) ( resid 360 and name hd1# ) 2.70 0.90 1.00 !hhcnoe assign ( resid 356 and name hd1# ) ( resid 360 and name hd1# ) 3.50 1.70 1.00 !hhcnoe !ASP357 assign ( resid 357 and name hn ) ( resid 358 and name hn ) 2.70 0.90 0.00 ! assign ( resid 357 and name hn ) ( resid 359 and name hn ) 5.00 3.20 0.00 ! assign ( resid 357 and name ha ) ( resid 360 and name hn ) 3.50 1.70 0.00 !hhnoe8/15 assign ( resid 357 and name ha ) ( resid 361 and name hn ) 5.00 3.20 0.00 !hhnnoe8/15 assign ( resid 357 and name ha ) ( resid 360 and name hb ) 3.50 1.70 0.00 ! assign ( resid 357 and name ha ) ( resid 360 and name hd1# ) 5.00 3.20 0.50 !ccnoe assign ( resid 357 and name ha ) ( resid 360 and name hg2# ) 5.00 3.20 0.50 !ccnoe,hhcnoe !ALA358 assign ( resid 358 and name hn ) ( resid 359 and name hn ) 2.70 0.90 0.00 ! assign ( resid 358 and name hn ) ( resid 360 and name hn ) 5.00 3.20 0.00 ! assign ( resid 358 and name ha ) ( resid 361 and name hn ) 3.50 1.70 0.00 ! assign ( resid 358 and name ha ) ((resid 361 and name hb1 ) or ( resid 361 and name hb2 )) 3.50 1.70 0.30 !ccnoe assign ( resid 358 and name ha ) ((resid 361 and name hg1 ) or ( resid 361 and name hg2 )) 3.50 1.70 0.30 !ccnoe assign ( resid 358 and name ha ) ((resid 361 and name hd1 ) or ( resid 361 and name hd2 )) 5.00 3.20 0.30 !ccnoe assign ( resid 358 and name hb# ) ((resid 361 and name hb1 ) or ( resid 361 and name hb2 )) 5.00 3.20 0.80 !ccnoe assign ( resid 358 and name hb# ) ((resid 361 and name hd1 ) or ( resid 361 and name hd2 )) 5.00 3.20 0.80 ! assign ( resid 358 and name hb# ) ((resid 362 and name he1 ) or ( resid 362 and name he2 )) 5.00 3.20 0.80 !ccnoe !ALA359 assign ( resid 359 and name hn ) ( resid 360 and name hn ) 2.70 0.90 0.00 ! assign ( resid 359 and name ha ) ((resid 362 and name hb1 ) or ( resid 362 and name hb2 )) 3.50 1.70 0.30 !ccnoe assign ( resid 359 and name ha ) ((resid 362 and name hd1 ) or ( resid 362 and name hd2 )) 3.50 1.70 0.30 !ccnoe assign ( resid 359 and name ha ) ((resid 362 and name he1 ) or ( resid 362 and name he2 )) 5.00 3.20 0.30 ! assign ( resid 359 and name ha ) ((resid 362 and name hg1 ) or ( resid 362 and name hg2 )) 5.00 3.20 0.30 ! !ILE360 assign ( resid 360 and name hn ) ( resid 361 and name hn ) 2.70 0.90 0.00 ! assign ( resid 360 and name hn ) ( resid 362 and name hn ) 5.00 3.20 0.00 ! assign ( resid 360 and name ha ) ( resid 363 and name hn ) 5.00 3.20 0.00 !hhnnoe8/15 assign ( resid 360 and name ha ) ( resid 363 and name hg1# ) 3.50 1.70 0.50 !cc/hc8/15 assign ( resid 360 and name hg2# ) ( resid 361 and name ha ) 5.00 3.20 0.50 ! assign ( resid 360 and name hg2# ) ( resid 363 and name hg1# ) 5.00 3.20 1.00 !ccnoe assign ( resid 360 and name hg2# ) ( resid 364 and name hg2# ) 3.50 1.70 1.00 !ccnoe !ARG361 assign ( resid 361 and name hn ) ( resid 362 and name hn ) 2.70 0.90 0.00 ! assign ( resid 361 and name hn ) ( resid 363 and name hn ) 5.00 3.20 0.00 ! assign ( resid 361 and name ha ) ( resid 364 and name hn ) 3.50 1.70 0.00 !hhnoe8/15 assign ( resid 361 and name ha ) ( resid 365 and name hn ) 5.00 3.20 0.00 !hhnnoe8/15 assign ( resid 361 and name ha ) ( resid 364 and name hg1# ) 5.00 3.20 0.50 ! assign ( resid 361 and name ha ) ( resid 364 and name hg2# ) 3.50 1.70 0.50 !can be relaxed !LYS362 assign ( resid 362 and name hn ) ( resid 363 and name hn ) 2.70 0.90 0.00 ! assign ( resid 362 and name ha ) ( resid 365 and name hn ) 3.50 1.70 0.00 !hhnoe8/15 assign ( resid 362 and name ha ) ((resid 365 and name hb1 ) or ( resid 365 and name hb2 )) 3.50 1.70 0.30 ! assign ((resid 362 and name he1 ) or ( resid 362 and name he2 )) ( resid 363 and name hg2# ) 5.00 3.20 0.80 !163cc8/15 !VAL363 assign ( resid 363 and name hn ) ( resid 364 and name hn ) 3.50 1.70 0.00 ! assign ( resid 363 and name hn ) ( resid 365 and name hn ) 5.00 3.20 0.00 ! assign ( resid 363 and name ha ) ( resid 366 and name hn ) 3.50 1.70 0.00 !hhnnoe8/15 assign ( resid 363 and name ha ) ((resid 366 and name hb1 ) or ( resid 366 and name hb2 )) 3.50 1.70 0.30 !ccnoe8/15 assign ( resid 363 and name ha ) ((resid 366 and name hd1 ) or ( resid 366 and name hd2 )) 3.50 1.70 0.30 !ccnoe8/15 assign ( resid 363 and name hg2# ) ((resid 366 and name hd1 ) or ( resid 366 and name hd2 )) 3.50 1.70 0.80 !163hc/cc8/15 !VAL364 assign ( resid 364 and name hn ) ( resid 365 and name hn ) 2.70 0.90 0.00 ! assign ( resid 364 and name ha ) ( resid 367 and name hn ) 3.50 1.70 0.00 !hhnnoe8/15 assign ( resid 364 and name ha ) ( resid 368 and name hn ) 5.00 3.20 0.00 !hhnnoe8/15 assign ( resid 364 and name ha ) ( resid 367 and name hb ) 5.00 3.20 0.00 !ccnoe8/15 assign ( resid 364 and name ha ) ( resid 367 and name hg2# ) 3.50 1.70 0.50 !ccnoe8/15 !ASP365 assign ( resid 365 and name hn ) ( resid 366 and name hn ) 2.70 0.90 0.00 ! assign ( resid 365 and name ha ) ( resid 368 and name hn ) 3.50 1.70 0.00 !hhnnoe8/15 assign ( resid 365 and name ha ) ( resid 369 and name hn ) 5.00 3.20 0.00 !hhnnoe8/15 assign ( resid 365 and name ha ) ((resid 368 and name hb1 ) or ( resid 368 and name hb2 )) 3.50 1.70 0.30 !ccnoe8/15 !ARG366 assign ( resid 366 and name hn ) ( resid 367 and name hn ) 2.70 0.90 0.00 ! assign ( resid 366 and name ha ) ( resid 369 and name hn ) 5.00 3.20 0.00 !hhnnoe8/15 assign ((resid 366 and name hb1 ) or ( resid 366 and name hb2 )) ( resid 367 and name hg2# ) 5.00 3.20 0.80 ! assign ((resid 366 and name hd1 ) or ( resid 366 and name hd2 )) ( resid 367 and name hg2# ) 3.50 1.70 0.80 ! !VAL367 assign ( resid 367 and name hn ) ( resid 368 and name hn ) 2.70 0.90 0.00 ! assign ( resid 367 and name hg1# ) ((resid 368 and name hb1 ) or ( resid 368 and name hb2 )) 3.50 1.70 0.80 !
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