NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
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|
8497 |
1mb6   |
5527 | cing | recoord | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!C2-8.72-3.24-8, 3.35-6,5.05-8 !L3--8.72-0.89-5, 1.01-5, 1.43-6, 1.61-9, 1.78-8, 4.44-6, !!E1-4.17, 2.15,2.44 !!E4-7.83-4, assign (resid 2 and name HN )(resid 2 and name HA ) 3.5 1.7 0.0 assign (resid 2 and name HN )(resid 2 and name HB# ) 2.7 0.9 1.0 assign (resid 2 and name HN )(resid 1 and name HA ) 2.7 0.9 0.0 assign (resid 3 and name HN )(resid 3 and name HA ) 3.5 1.7 0.0 assign (resid 3 and name HN )(resid 3 and name HB# ) 3.5 1.7 1.0 assign (resid 3 and name HN )(resid 3 and name HG ) 3.5 1.7 0.0 assign (resid 3 and name HN )(resid 3 and name HD1# ) 3.5 1.7 2.4 assign (resid 3 and name HN )(resid 3 and name HD2# ) 3.5 1.7 2.4 assign (resid 3 and name HN )(resid 4 and name HN ) 5.0 3.2 0.0 !C2orL3 8.72-- !!Q15-8.08-ww !!Q15-4.65w(4.64+4.66), !!C16-2.65-1, 2.75-4, 9.31-2,4.95-8, !!C17-4.56-4, 9.42-7, assign (resid 3 and name HN )(resid 15 and name HA ) 5.0 3.2 0.0 assign (resid 3 and name HN )(resid 15 and name HN ) 6.0 4.2 0.0 assign (resid 3 and name HN )(resid 16 and name HA ) 2.7 0.9 0.0 assign (resid 3 and name HN )(resid 16 and name HB# ) 5.0 3.2 1.0 assign (resid 3 and name HN )(resid 16 and name HN ) 5.0 3.2 0.0 assign (resid 3 and name HN )(resid 17 and name HA ) 5.0 3.2 0.0 !C2HA-5.06-3.24s, 3.34s !!E1-4.17w !!L3-0.89w,1.00w 1.61 !!Q15-1.80&2.76 !!C17-4.56m assign (resid 2 and name HA )(resid 1 and name HA ) 5.0 3.2 0.0 assign (resid 2 and name HA )(resid 2 and name HB# ) 2.7 0.9 1.0 assign (resid 2 and name HA )(resid 3 and name HG ) 5.0 3.2 0.0 assign (resid 2 and name HA )(resid 3 and name HD1# ) 5.0 3.2 2.4 assign (resid 2 and name HA )(resid 3 and name HD2# ) 5.0 3.2 2.4 assign (resid 2 and name HA )(resid 15 and name HB# ) 5.0 3.2 1.0 assign (resid 2 and name HA )(resid 17 and name HA ) 5.0 3.2 0.0 !E4--7.825-4.14-7, 1.82&2.26m, 2.32&2.41m !!L3-8.72-3, 4.43s, 1.42&1.78s 1.59s, 0.89-6&1.00-2, !!C2-5.06ww !!C16-4.94w !!C17-9.42 !!?N10-3.04&2.80 ?N13-4.66 ?K32-9.52 assign (resid 4 and name HN )(resid 4 and name HA ) 3.5 1.7 0.0 assign (resid 4 and name HN )(resid 4 and name HB# ) 3.5 1.7 1.0 assign (resid 4 and name HN )(resid 4 and name HG# ) 5.0 3.2 1.0 assign (resid 4 and name HN )(resid 3 and name HN ) 5.0 3.2 0.0 assign (resid 4 and name HN )(resid 3 and name HA ) 2.7 0.9 0.0 assign (resid 4 and name HN )(resid 3 and name HB# ) 3.5 1.7 1.0 !assign (resid 4 and name HN )(resid 3 and name HG ) 5.0 3.2 0.0 assign (resid 4 and name HN )(resid 3 and name HD# ) 5.0 3.2 2.4 !assign (resid 4 and name HN )(resid 2 and name HA ) 6.0 4.2 0.0 assign (resid 4 and name HN )(resid 16 and name HA ) 6.0 4.2 0.0 assign (resid 4 and name HN )(resid 17 and name HN ) 6.0 4.2 0.0 !assign (resid 4 and name HN )(resid 32 and name HN ) 5.0 3.2 0.0 !E4HA4.15--1.81s, 2.27s, 2.33s, 2.41m, !!C17-9.42 !!L22-0.35, 0.85s, ?2.78 ?I5-3.27ww assign (resid 4 and name HA )(resid 4 and name HN ) 3.5 1.7 0.0 assign (resid 4 and name HA )(resid 4 and name HB# ) 2.7 0.9 1.0 assign (resid 4 and name HA )(resid 4 and name HG# ) 2.7 0.9 1.0 assign (resid 4 and name HA )(resid 17 and name HN ) 5.0 3.2 0.0 !I5--7.89--3.27-9, 1.41-10, HG1#-0.06-3, 0.59-4,HG2#-0.74-11, HD#0.31-6, !!E4-?7.83 4.14-8,1.82-8,2.26-10, 2.32, 2.41-5, !!F6-8.60-5, 7.27,6.60 ?3.80-1, !!K7-4.43-3,?1.59-1, ! ?0.85-9, ?Q34-8.76w !!C17-9.42-1,2.77-1, 3.18-2, !!C31-2.57-2,3.18-2, assign (resid 5 and name HN )(resid 5 and name HA ) 3.5 1.7 0.0 assign (resid 5 and name HN )(resid 5 and name HB ) 2.7 0.9 0.0 assign (resid 5 and name HN )(resid 5 and name HG1# ) 5.0 3.2 1.0 assign (resid 5 and name HN )(resid 5 and name HG2# ) 5.0 3.2 1.0 assign (resid 5 and name HN )(resid 5 and name HD1# ) 5.0 3.2 1.0 assign (resid 5 and name HN )(resid 4 and name HN ) 5.0 3.2 0.0 assign (resid 5 and name HN )(resid 4 and name HA ) 2.7 0.9 0.0 assign (resid 5 and name HN )(resid 4 and name HB# ) 2.7 0.9 1.0 assign (resid 5 and name HN )(resid 4 and name HG# ) 5.0 3.2 1.0 assign (resid 5 and name HN )(resid 6 and name HN ) 5.0 3.2 0.0 !assign (resid 5 and name HN )(resid 6 and name HA ) 5.0 3.2 0.0 assign (resid 5 and name HN )(resid 6 and name HD# ) 5.0 3.2 2.4 assign (resid 5 and name HN )(resid 6 and name HE# ) 6.0 4.2 2.4 assign (resid 5 and name HN )(resid 17 and name HB# ) 5.0 3.2 1.0 assign (resid 5 and name HN )(resid 17 and name HN ) 6.0 4.2 0.0 assign (resid 5 and name HN )(resid 31 and name HB# ) 5.0 3.2 1.0 assign (resid 5 and name HN )(resid 22 and name HD#) 5.0 3.2 2.4 !I5HA-3.27--7.89, -0.06s,0.31,0.59s 0.74m 1.40, !!L22-5.18ww, 0.35,0.85, 1.30 ?1.46, !E4orK7-7.83,4.14w, F6-8.60s,3.80w, K32-9.52 assign (resid 5 and name HA )(resid 5 and name HB ) 2.7 0.9 0.0 assign (resid 5 and name HA )(resid 5 and name HG1# ) 2.7 0.9 1.0 assign (resid 5 and name HA )(resid 5 and name HG2# ) 5.0 3.2 1.0 assign (resid 5 and name HA )(resid 5 and name HD1# ) 5.0 3.2 1.0 assign (resid 5 and name HA )(resid 32 and name HN ) 5.0 3.2 0.0 assign (resid 5 and name HA )(resid 22 and name HA ) 6.0 4.2 0.0 !assign (resid 5 and name HA )(resid 22 and name HG ) 5.0 3.2 0.0 assign (resid 5 and name HA )(resid 7 and name HN ) 5.0 3.2 0.0 assign (resid 5 and name HA )(resid 4 and name HA ) 5.0 3.2 0.0 assign (resid 5 and name HA )(resid 6 and name HN ) 5.0 3.2 0.0 assign (resid 5 and name HA )(resid 6 and name HA ) 5.0 3.2 0.0 !I5-dCH3(0.31)-Y33-8.26,7.17, 6.82, F6-8.60,7.27,6.60 assign (resid 5 and name HD1# )(resid 6 and name HN ) 5.0 3.2 2.4 assign (resid 5 and name HD1# )(resid 6 and name HD# ) 5.0 3.2 4.8 assign (resid 5 and name HD1# )(resid 6 and name HE# ) 5.0 3.2 4.8 assign (resid 5 and name HD1# )(resid 33 and name HN ) 5.0 3.2 2.4 assign (resid 5 and name HD1# )(resid 33 and name HD# ) 5.0 3.2 4.8 assign (resid 5 and name HD1# )(resid 33 and name HE# ) 5.0 3.2 4.8 !I5-rCH2-0.06,0.59-- F6-8.60,6.60,7.27 Y33-8.26 - !F6--8.60-3.80-6 2.95-2&3.19-4, 6.60-3, 7.29-1, !!I5-7.89-2, 3.28-5, 1.41-3, -0.06-4, 0.59-4, 0.74-2, 0.32-3, !!K7-7.83-4, 4.41-1 2.15ww,1.82ww !!E4-4.14ww !!L22-0.85-2,0.35w !!W30-2.80-2&3.19-4, 5.63-2, 7.05-3, 7.63-2 7.22 10.55ww !!C31-2.58-3&3.19-4, 4.93-1, !!K32-9.53w assign (resid 6 and name HN )(resid 6 and name HA ) 2.7 0.9 0.0 assign (resid 6 and name HN )(resid 6 and name HB# ) 3.5 1.7 1.0 assign (resid 6 and name HN )(resid 6 and name HD# ) 5.0 3.2 2.4 assign (resid 6 and name HN )(resid 6 and name HE# ) 5.0 3.2 2.4 !assign (resid 6 and name HN )(resid 4 and name HA ) 6.0 4.2 0.0 assign (resid 6 and name HN )(resid 5 and name HN ) 5.0 3.2 0.0 assign (resid 6 and name HN )(resid 5 and name HA ) 3.5 1.7 0.0 assign (resid 6 and name HN )(resid 5 and name HB ) 5.0 3.2 0.0 assign (resid 6 and name HN )(resid 5 and name HG1# ) 5.0 3.2 1.0 assign (resid 6 and name HN )(resid 5 and name HG2# ) 5.0 3.2 1.0 assign (resid 6 and name HN )(resid 5 and name HD1# ) 5.0 3.2 1.0 assign (resid 6 and name HN )(resid 7 and name HN ) 3.5 1.7 0.0 assign (resid 6 and name HN )(resid 7 and name HB# ) 5.0 3.2 1.0 assign (resid 6 and name HN )(resid 7 and name HA ) 6.0 4.2 0.0 !assign (resid 6 and name HN )(resid 30 and name HA ) 6.0 4.2 0.0 assign (resid 6 and name HN )(resid 30 and name HB# ) 5.0 3.2 1.0 !assign (resid 6 and name HN )(resid 30 and name HD1 ) 5.0 3.2 0.0 !assign (resid 6 and name HN )(resid 30 and name HE3 ) 6.0 4.2 0.0 assign (resid 6 and name HN )(resid 31 and name HB# ) 5.0 3.2 1.0 assign (resid 6 and name HN )(resid 31 and name HA ) 5.0 3.2 0.0 assign (resid 6 and name HN )(resid 32 and name HN ) 5.0 3.2 0.0 !K7--7.83-4.42, 3.05-4, 2.15m, 1.82m, 1.71, 1.61, 1.33 !!I5-3.27-6 -0.06-1, 0.74-3, 0.32w, 0.58w, 1.40 !!F6-8.59-8, 3.81-7, 2.94-2&3.19-8, 6.60-2, !!A8-8.34-4, 0.84-2, !!W30-5.62, 2.80w, 3.20,7.04, !!C31-8.59, 2.57s 3.19m, assign (resid 7 and name HN )(resid 7 and name HA ) 3.5 1.7 0.0 assign (resid 7 and name HN )(resid 7 and name HB# ) 2.7 0.9 1.0 assign (resid 7 and name HN )(resid 7 and name HG# ) 5.0 3.2 1.0 assign (resid 7 and name HN )(resid 7 and name HD# ) 5.0 3.2 1.0 assign (resid 7 and name HN )(resid 7 and name HE# ) 5.0 3.2 1.0 assign (resid 7 and name HN )(resid 5 and name HA ) 5.0 3.2 0.0 assign (resid 7 and name HN )(resid 5 and name HB ) 6.0 4.2 0.0 assign (resid 7 and name HN )(resid 5 and name HG1# ) 5.0 3.2 1.0 assign (resid 7 and name HN )(resid 5 and name HG2# ) 5.0 3.2 1.0 assign (resid 7 and name HN )(resid 5 and name HD1# ) 5.0 3.2 1.0 assign (resid 7 and name HN )(resid 6 and name HN ) 3.5 1.7 0.0 assign (resid 7 and name HN )(resid 6 and name HA ) 3.5 1.7 0.0 assign (resid 7 and name HN )(resid 6 and name HB# ) 3.5 1.7 1.0 assign (resid 7 and name HN )(resid 6 and name HD# ) 5.0 3.2 2.4 assign (resid 7 and name HN )(resid 8 and name HN ) 5.0 3.2 0.0 assign (resid 7 and name HN )(resid 8 and name HB# ) 5.0 3.2 2.4 assign (resid 7 and name HN )(resid 30 and name HA ) 5.0 3.2 0.0 assign (resid 7 and name HN )(resid 30 and name HB# ) 5.0 3.2 1.0 assign (resid 7 and name HN )(resid 30 and name HD1 ) 5.0 3.2 0.0 assign (resid 7 and name HN )(resid 31 and name HN ) 3.5 1.7 0.0 assign (resid 7 and name HN )(resid 31 and name HB# ) 3.5 1.7 1.0 !A8--8.34-4.87-8, 1.56-12, !!K7-7.83-5,4.41-13, 2.15-5&1.82-8, 1.71-5, 1.32-3, 3.04-1, !!L3-0.89-2, 1.01-2, 1.42w, !!W30-5.62-3, 2.80-2&3.20-3, HE3-7.63ww 7.04ww !!C31-8.58-2, ?K32-4.79-3 ?R29-3.80www,2.35www assign (resid 8 and name HN )(resid 8 and name HA ) 3.5 1.7 0.0 assign (resid 8 and name HN )(resid 8 and name HB# ) 2.7 0.9 2.4 assign (resid 8 and name HN )(resid 7 and name HN ) 5.0 3.2 0.0 assign (resid 8 and name HN )(resid 7 and name HA ) 2.7 0.9 0.0 assign (resid 8 and name HN )(resid 7 and name HB# ) 3.5 1.7 1.0 assign (resid 8 and name HN )(resid 7 and name HG# ) 5.0 3.2 1.0 assign (resid 8 and name HN )(resid 7 and name HD# ) 5.0 3.2 1.0 assign (resid 8 and name HN )(resid 7 and name HE# ) 5.0 3.2 1.0 assign (resid 8 and name HN )(resid 3 and name HD1# ) 5.0 3.2 2.4 assign (resid 8 and name HN )(resid 3 and name HD2# ) 5.0 3.2 2.4 assign (resid 8 and name HN )(resid 30 and name HB# ) 5.0 3.2 1.0 assign (resid 8 and name HN )(resid 30 and name HA ) 5.0 3.2 0.0 !assign (resid 8 and name HN )(resid 30 and name HD1 ) 6.0 4.2 0.0 !assign (resid 8 and name HN )(resid 30 and name HE3 ) 6.0 4.2 0.0 assign (resid 8 and name HN )(resid 31 and name HN ) 5.0 3.2 0.0 !C9--8.39-3.01-5, 3.12-4, 4.87-11, !!A8-1.57-8, 4.87-11 8.34w !!N10-9.14-1, 5.16w, !!K7-1.81w,2.15ww, 7.83ww, ?4.41 !!S25-7.72 !!R29-3.81-3, 2.06-2, 2.37-4, 1.30, 8.01ww, !!W30-7.13w, 5.62-9, 2.80-3&3.20-3, 7.04w, 7.63w, !!C31-8.58-w, !!L3-1.01-2, P11-3.88, 3.95 assign (resid 9 and name HN )(resid 9 and name HA ) 3.5 1.7 0.0 assign (resid 9 and name HN )(resid 9 and name HB# ) 3.5 1.7 1.0 assign (resid 9 and name HN )(resid 8 and name HN ) 5.0 3.2 0.0 assign (resid 9 and name HN )(resid 8 and name HA ) 2.7 0.9 0.0 assign (resid 9 and name HN )(resid 8 and name HB# ) 2.7 0.9 2.4 assign (resid 9 and name HN )(resid 7 and name HN ) 6.0 4.2 0.0 assign (resid 9 and name HN )(resid 7 and name HA ) 6.0 4.2 0.0 assign (resid 9 and name HN )(resid 7 and name HB# ) 6.0 4.2 1.0 assign (resid 9 and name HN )(resid 10 and name HN ) 5.0 3.2 0.0 assign (resid 9 and name HN )(resid 10 and name HA ) 5.0 3.2 0.0 !assign (resid 9 and name HN )(resid 25 and name HN ) 5.0 3.2 0.0 !assign (resid 9 and name HN )(resid 29 and name HN ) 6.0 4.2 0.0 assign (resid 9 and name HN )(resid 29 and name HA ) 5.0 3.2 0.0 assign (resid 9 and name HN )(resid 29 and name HB# ) 5.0 3.2 1.0 assign (resid 9 and name HN )(resid 30 and name HB# ) 5.0 3.2 1.0 assign (resid 9 and name HN )(resid 30 and name HA ) 2.7 0.9 0.0 assign (resid 9 and name HN )(resid 30 and name HN ) 5.0 3.2 0.0 !assign (resid 9 and name HN )(resid 30 and name HD1 ) 6.0 4.2 0.0 !assign (resid 9 and name HN )(resid 30 and name HE3 ) 6.0 4.2 0.0 assign (resid 9 and name HN )(resid 31 and name HN ) 5.0 3.2 0.0 !N10--9.13-5.17-6, 2.80-6, 3.03-8, 7.78-1, 7.13ww !!C9-8.40-2, 4.88-8, 3.03-8&3.12-8, !!P11--3.88-3, 3.94-1, !!D14-4.13-3, !!N13-7.62-1, 2.67 !!Q15-8.08-2, !!L3-1.01-4, 1.80w assign (resid 10 and name HN )(resid 10 and name HA ) 3.5 1.7 0.0 assign (resid 10 and name HN )(resid 10 and name HB# ) 3.5 1.7 1.0 assign (resid 10 and name HN )(resid 9 and name HA ) 2.7 0.9 0.0 assign (resid 10 and name HN )(resid 9 and name HN ) 5.0 3.2 0.0 assign (resid 10 and name HN )(resid 9 and name HB# ) 3.5 1.7 1.0 assign (resid 10 and name HN )(resid 11 and name HA ) 6.0 4.2 0.0 assign (resid 10 and name HN )(resid 11 and name HD# ) 5.0 3.2 1.0 assign (resid 10 and name HN )(resid 13 and name HN ) 5.0 3.2 0.0 assign (resid 10 and name HN )(resid 14 and name HA ) 5.0 3.2 0.0 assign (resid 10 and name HN )(resid 15 and name HN ) 5.0 3.2 0.0 !P11- !S12--7.82-3.84-7, 3.95-8 !!P11-1.82,2.01-5, 2.10, 2.12-4, 3.88-7/2, !!N10-5.17-4 !!N13-7.64s ?N13-2.65w !!?C2orL3-8.72 assign (resid 12 and name HN )(resid 12 and name HB# ) 2.7 0.9 1.0 assign (resid 12 and name HN )(resid 11 and name HB# ) 5.0 3.2 1.0 assign (resid 12 and name HN )(resid 11 and name HG# ) 5.0 3.2 1.0 assign (resid 12 and name HN )(resid 11 and name HD# ) 5.0 3.2 1.0 assign (resid 12 and name HN )(resid 10 and name HA ) 5.0 3.2 0.0 assign (resid 12 and name HN )(resid 13 and name HN ) 2.7 0.9 0.0 !N13--7.62-4.67s, 2.66-7, !!S12-HN7.83s, 4.44-6, 3.86-6,3.94-5, !!P11-3.95,3.88, 1.82, 2.10, 2.00 !!N10-9.12-1, 5.17-2, 2.80-7, 3.05-6, !!D14-8.68-7, 4.13, 3.05-6, 2.53 !!??K21eNH3-7.615-I35-8.07,0.95 4.08, ?4.27w assign (resid 13 and name HN )(resid 13 and name HA ) 3.5 1.7 0.0 assign (resid 13 and name HN )(resid 13 and name HB# ) 3.5 1.7 1.0 assign (resid 13 and name HN )(resid 12 and name HN ) 2.7 0.9 0.0 assign (resid 13 and name HN )(resid 12 and name HA ) 5.0 3.2 0.0 assign (resid 13 and name HN )(resid 12 and name HB# ) 3.5 1.7 1.0 assign (resid 13 and name HN )(resid 11 and name HA ) 5.0 3.2 0.0 assign (resid 13 and name HN )(resid 11 and name HB# ) 5.0 3.2 1.0 assign (resid 13 and name HN )(resid 11 and name HG# ) 5.0 3.2 1.0 assign (resid 13 and name HN )(resid 11 and name HD# ) 5.0 3.2 1.0 assign (resid 13 and name HN )(resid 10 and name HN ) 5.0 3.2 0.0 assign (resid 13 and name HN )(resid 10 and name HA ) 5.0 3.2 0.0 assign (resid 13 and name HN )(resid 10 and name HB# ) 3.5 1.7 1.0 assign (resid 13 and name HN )(resid 14 and name HN ) 5.0 3.2 0.0 assign (resid 13 and name HN )(resid 14 and name HA ) 5.0 3.2 0.0 assign (resid 13 and name HN )(resid 14 and name HB# ) 5.0 3.2 1.0 !N13-6.85,7.55 !7.55-2.36-1, 2.44-1, 2.66-8, 4.66-1, 6.85-12, 7.12-3, 7.79-2 !?7.50-3.94-8 !D14-8.67-4.14-6, 2.53-10, 3.04-10, !!N13-7.63-6 4.66-10, 2.65-4 !!Q15-8.08-2 2.36&2.44ww !!P11-3.87-3 !!S12-7.84-1, 4.44-2 !!C16-9.31 !!C24-2.56?&3.16-1, assign (resid 14 and name HN )(resid 14 and name HA ) 3.5 1.7 0.0 assign (resid 14 and name HN )(resid 14 and name HB# ) 2.7 0.9 1.0 assign (resid 14 and name HN )(resid 13 and name HN ) 5.0 3.2 0.0 assign (resid 14 and name HN )(resid 13 and name HA ) 2.7 0.9 0.0 assign (resid 14 and name HN )(resid 13 and name HB# ) 5.0 3.2 1.0 assign (resid 14 and name HN )(resid 15 and name HN ) 5.0 3.2 0.0 assign (resid 14 and name HN )(resid 15 and name HG# ) 5.0 3.2 1.0 !assign (resid 14 and name HN )(resid 11 and name HD# ) 6.0 4.2 1.0 assign (resid 14 and name HN )(resid 12 and name HA ) 5.0 3.2 0.0 assign (resid 14 and name HN )(resid 12 and name HN ) 6.0 4.2 0.0 !assign (resid 14 and name HN )(resid 16 and name HN ) 6.0 4.2 0.0 assign (resid 14 and name HN )(resid 24 and name HB# ) 5.0 3.2 1.0 !Q15-8.08-4.64-7, 1.81-8, 2.36-5, 2.44-5, 2.75-6, !!D14-8.67-2, 4.13-10, 2.54-3,3.04-4, !!C16-9.31-8, 2.66w&2.76, 4.94ww, !!L3 -1.00 1.60 !!C9 -4.87www 3.02-4&3.12-4 !!N10-9.14-2, 5.17ww 2.80w,&3.04, !!9.67ww !!?N13orK32eNH3-7.62w 1.60ww assign (resid 15 and name HN )(resid 15 and name HA ) 3.5 1.7 0.0 assign (resid 15 and name HN )(resid 15 and name HB# ) 3.5 1.7 1.0 assign (resid 15 and name HN )(resid 15 and name HG# ) 3.5 1.7 1.0 assign (resid 15 and name HN )(resid 14 and name HN ) 5.0 3.2 0.0 assign (resid 15 and name HN )(resid 14 and name HA ) 2.7 0.9 0.0 assign (resid 15 and name HN )(resid 14 and name HB# ) 5.0 3.2 1.0 assign (resid 15 and name HN )(resid 16 and name HN ) 3.5 1.7 0.0 assign (resid 15 and name HN )(resid 16 and name HA ) 5.0 3.2 0.0 assign (resid 15 and name HN )(resid 16 and name HB# ) 5.0 3.2 1.0 assign (resid 15 and name HN )(resid 3 and name HG ) 5.0 3.2 0.0 assign (resid 15 and name HN )(resid 9 and name HA ) 5.0 3.2 0.0 assign (resid 15 and name HN )(resid 9 and name HB# ) 5.0 3.2 1.0 assign (resid 15 and name HN )(resid 10 and name HN ) 5.0 3.2 0.0 !assign (resid 15 and name HN )(resid 10 and name HA ) 6.0 4.2 0.0 !assign (resid 15 and name HN )(resid 10 and name HB# ) 5.0 3.2 1.0 !assign (resid 15 and name HN )(resid 24 and name HN ) 6.0 4.2 0.0 !C16--9.31-4.95-8, 2.66-8, 2.76-10, !!Q15-4.64-7, 8.08-9, 2.44ww,2.36ww 1.79-6, 2.75w !!C17-9.41w, 4.56-1--C17&C24 !!E1 -2.13ww, C2-5.06ww, 3.25&3.35ww !!L3 -8.72-2, 1.43-1,1.79-6, 1.60-1, 0.89&1.00-5 !!D14-4.13-6, 2.53-4&3.02-3 !!L22-0.85-w, !!V23-4.35-3 !!C24-9.67-3,2.56-4@3.14-5, assign (resid 16 and name HN )(resid 16 and name HA ) 3.5 1.7 0.0 assign (resid 16 and name HN )(resid 16 and name HB# ) 2.7 0.9 1.0 assign (resid 16 and name HN )(resid 15 and name HA ) 3.5 1.7 0.0 assign (resid 16 and name HN )(resid 15 and name HN ) 3.5 1.7 0.0 assign (resid 16 and name HN )(resid 15 and name HB# ) 5.0 3.2 1.0 assign (resid 16 and name HN )(resid 15 and name HG# ) 5.0 3.2 1.0 assign (resid 16 and name HN )(resid 17 and name HN ) 5.0 3.2 0.0 assign (resid 16 and name HN )(resid 17 and name HA ) 6.0 4.2 0.0 assign (resid 16 and name HN )(resid 2 and name HA ) 6.0 4.2 0.0 assign (resid 16 and name HN )(resid 2 and name HB# ) 6.0 4.2 1.0 assign (resid 16 and name HN )(resid 3 and name HN ) 5.0 3.2 0.0 assign (resid 16 and name HN )(resid 3 and name HB# ) 5.0 3.2 1.0 !assign (resid 16 and name HN )(resid 3 and name HG ) 5.0 3.2 0.0 assign (resid 16 and name HN )(resid 3 and name HD1# ) 5.0 3.2 2.4 assign (resid 16 and name HN )(resid 3 and name HD2# ) 5.0 3.2 2.4 !assign (resid 16 and name HN )(resid 14 and name HN ) 6.0 4.2 0.0 assign (resid 16 and name HN )(resid 14 and name HA ) 5.0 3.2 0.0 assign (resid 16 and name HN )(resid 14 and name HB# ) 5.0 3.2 1.0 assign (resid 16 and name HN )(resid 23 and name HA ) 5.0 3.2 0.0 assign (resid 16 and name HN )(resid 24 and name HN ) 5.0 3.2 0.0 assign (resid 16 and name HN )(resid 24 and name HA ) 6.0 4.2 0.0 assign (resid 16 and name HN )(resid 24 and name HB# ) 5.0 3.2 1.0 !C16-4.95-2.66, 2.77, !!C2-3.25w, 3.35w !!L3-4.43w 1.42&1.78, 1.61, 1.00&0.89ww !!L22-0.87? assign (resid 16 and name HA )(resid 16 and name HB# ) 2.7 0.9 1.0 assign (resid 16 and name HA )(resid 2 and name HB# ) 5.0 3.2 1.0 assign (resid 16 and name HA )(resid 3 and name HA ) 5.0 3.2 0.0 assign (resid 16 and name HA )(resid 3 and name HB# ) 5.0 3.2 1.0 assign (resid 16 and name HA )(resid 3 and name HG ) 5.0 3.2 0.0 assign (resid 16 and name HA )(resid 3 and name HD1#) 5.0 3.2 2.4 assign (resid 16 and name HA )(resid 3 and name HD2#) 5.0 3.2 2.4 !C17--9.41-4.56-9,2.78-10 3.19-8, !!C16-9.31-5, 4.95-12, 2.66-8, 2.76-10 !!K18-8.98-4, 4.26w !!C2-8.72-8, 5.06-3, 3.24, 3.34-5, !!L3-4.43-3, 1.43-5, 1.60-3, 1.77-8, 0.89&1.00-2, !!E4-7.83-1, 4.14-6, 2.32ww&2.41ww !!I5-7.89-1, !!S20-6.78-1, 3.69-2, !!L22-6.98-1, 0.35-1&0.85-9 !!V23-4.35ww 9.16ww !!?R26-9.22-1 ?C31-3.19, 2.57-3, ?4.79-4, assign (resid 17 and name HN )(resid 17 and name HA ) 3.5 1.7 0.0 assign (resid 17 and name HN )(resid 17 and name HB# ) 2.7 0.9 1.0 assign (resid 17 and name HN )(resid 16 and name HA ) 2.7 0.9 0.0 assign (resid 17 and name HN )(resid 16 and name HN ) 5.0 3.2 0.0 assign (resid 17 and name HN )(resid 16 and name HB# ) 2.7 0.9 1.0 assign (resid 17 and name HN )(resid 18 and name HN ) 5.0 3.2 0.0 assign (resid 17 and name HN )(resid 18 and name HA ) 6.0 4.2 0.0 assign (resid 17 and name HN )(resid 2 and name HA ) 5.0 3.2 0.0 assign (resid 17 and name HN )(resid 2 and name HB# ) 3.5 1.7 1.0 assign (resid 17 and name HN )(resid 3 and name HN ) 3.5 1.7 0.0 assign (resid 17 and name HN )(resid 3 and name HA ) 5.0 3.2 0.0 assign (resid 17 and name HN )(resid 3 and name HB# ) 5.0 3.2 1.0 assign (resid 17 and name HN )(resid 3 and name HG ) 6.0 4.2 0.0 assign (resid 17 and name HN )(resid 3 and name HD1# ) 5.0 3.2 2.4 assign (resid 17 and name HN )(resid 3 and name HD2# ) 5.0 3.2 2.4 assign (resid 17 and name HN )(resid 4 and name HA ) 5.0 3.2 0.0 assign (resid 17 and name HN )(resid 4 and name HN ) 6.0 4.2 0.0 assign (resid 17 and name HN )(resid 4 and name HG# ) 6.0 4.2 0.0 assign (resid 17 and name HN )(resid 5 and name HN ) 6.0 4.2 0.0 assign (resid 17 and name HN )(resid 20 and name HN ) 6.0 4.2 0.0 assign (resid 17 and name HN )(resid 20 and name HB# ) 5.0 3.2 1.0 assign (resid 17 and name HN )(resid 22 and name HN ) 5.0 3.2 0.0 assign (resid 17 and name HN )(resid 22 and name HD1# ) 5.0 3.2 2.4 assign (resid 17 and name HN )(resid 22 and name HD2# ) 5.0 3.2 2.4 !assign (resid 17 and name HN )(resid 23 and name HN ) 6.0 4.2 0.0 !assign (resid 17 and name HN )(resid 23 and name HA ) 6.0 4.2 0.0 !?assign (resid 17 and name HN )(resid 26 and name HN ) 5.0 3.2 0.0 assign (resid 17 and name HN )(resid 31 and name HB# ) 5.0 3.2 1.0 !K18-8.98--4.27-8, 1.63-6, 1.71-6, 1.95-10, 3.09w, !!C17-9.41-4,4.56s,2.78-4&3.20 !!C2-5.05w, 3.25-6&3.35-4, !!L22-6.98-2 assign (resid 18 and name HN )(resid 18 and name HA ) 3.5 1.7 0.0 assign (resid 18 and name HN )(resid 18 and name HB# ) 2.7 0.9 1.0 assign (resid 18 and name HN )(resid 18 and name HG# ) 3.5 1.7 1.0 assign (resid 18 and name HN )(resid 18 and name HD# ) 5.0 3.2 1.0 assign (resid 18 and name HN )(resid 17 and name HA ) 2.7 0.9 0.0 assign (resid 18 and name HN )(resid 17 and name HN ) 5.0 3.2 0.0 assign (resid 18 and name HN )(resid 17 and name HB# ) 3.5 1.7 1.0 assign (resid 18 and name HN )(resid 2 and name HA ) 6.0 4.2 0.0 assign (resid 18 and name HN )(resid 2 and name HB# ) 5.0 3.2 1.0 assign (resid 18 and name HN )(resid 22 and name HN ) 6.0 4.2 0.0 !S19-8.99--4.27-8, 3.95-2,4.04-1 !!S20-6.79-3, !!K21-8.03-1,3.87w !!L22-6.98-2 assign (resid 19 and name HN )(resid 19 and name HA ) 3.5 1.7 0.0 assign (resid 19 and name HN )(resid 19 and name HB# ) 5.0 3.2 1.0 assign (resid 19 and name HN )(resid 20 and name HN ) 5.0 3.2 0.0 assign (resid 19 and name HN )(resid 21 and name HN ) 5.0 3.2 0.0 !?assign (resid 19 and name HN )(resid 21 and name HA ) 5.0 3.2 0.0 assign (resid 19 and name HN )(resid 22 and name HN ) 6.0 4.2 0.0 !K18&S19--8.98- !!L3-0.85-1 ?2or3--8.72 ?3.68ww !4.25-Q34HA-0.80, 0.88, 1.81,2.19, 2.22, L22-5.18ww !4.26-K18HA-1.63, 1.73, 1.95, 3.87, !4.28-S19HA-3.95, 4.03, S20-6.79 !S20--6.78-4.72-7, 3.68-8&4.16-6, !!S19-8.99-2 4.27-6 3.96-3&4.05-3, !!K21-8.03-10, 3.87-4 !!C17-9.42-1, 4.56-2, 2.78-5&3.19-7, !!K18-1.95-1, !!L22-6.98-5, 1.44-3, 1.77-2 0.35-5&0.84-4 assign (resid 20 and name HN )(resid 20 and name HA ) 3.5 1.7 0.0 assign (resid 20 and name HN )(resid 20 and name HB# ) 3.5 1.7 1.0 assign (resid 20 and name HN )(resid 19 and name HB# ) 5.0 3.2 1.0 assign (resid 20 and name HN )(resid 19 and name HN ) 5.0 3.2 0.0 assign (resid 20 and name HN )(resid 19 and name HA ) 5.0 3.2 0.0 assign (resid 20 and name HN )(resid 21 and name HN ) 2.7 0.9 0.0 assign (resid 20 and name HN )(resid 21 and name HA ) 5.0 3.2 0.0 assign (resid 20 and name HN )(resid 17 and name HN ) 6.0 4.2 0.0 assign (resid 20 and name HN )(resid 17 and name HA ) 5.0 3.2 0.0 assign (resid 20 and name HN )(resid 17 and name HB# ) 3.5 1.7 1.0 assign (resid 20 and name HN )(resid 18 and name HB# ) 5.0 3.2 1.0 assign (resid 20 and name HN )(resid 22 and name HN ) 5.0 3.2 0.0 assign (resid 20 and name HN )(resid 22 and name HB# ) 5.0 3.2 1.0 assign (resid 20 and name HN )(resid 22 and name HG ) 5.0 3.2 0.0 assign (resid 20 and name HN )(resid 22 and name HD1#) 5.0 3.2 2.4 assign (resid 20 and name HN )(resid 22 and name HD2#) 5.0 3.2 2.4 !K21--8.03-3.87-10, 1.39-6,1.72-2, 1.99-4, 2.22-4,3.03-1, !!S20-6.79-9, 4.72-5, 3.68-3,4.16-3, !!L22-6.98-8, 5.19-1ww, 1.44 1.77-2 0.35ww&0.86-1, !!S19- 8.98w 18or19-4,27-7, !!C17-2.77w&3.19w assign (resid 21 and name HN )(resid 21 and name HA ) 2.7 0.9 0.0 assign (resid 21 and name HN )(resid 21 and name HB# ) 3.5 1.7 1.0 assign (resid 21 and name HN )(resid 21 and name HG# ) 5.0 3.2 1.0 assign (resid 21 and name HN )(resid 21 and name HD# ) 5.0 3.2 1.0 assign (resid 21 and name HN )(resid 21 and name HE# ) 5.0 3.2 1.0 assign (resid 21 and name HN )(resid 20 and name HN ) 2.7 0.9 0.0 assign (resid 21 and name HN )(resid 20 and name HA ) 3.5 1.7 0.0 assign (resid 21 and name HN )(resid 20 and name HB# ) 5.0 3.2 1.0 assign (resid 21 and name HN )(resid 22 and name HN ) 3.5 1.7 0.0 assign (resid 21 and name HN )(resid 22 and name HA ) 6.0 4.2 0.0 assign (resid 21 and name HN )(resid 22 and name HB# ) 5.0 3.2 1.0 assign (resid 21 and name HN )(resid 22 and name HG ) 5.0 3.2 0.0 assign (resid 21 and name HN )(resid 22 and name HD1# ) 5.0 3.2 2.4 assign (resid 21 and name HN )(resid 22 and name HD2# ) 5.0 3.2 2.4 assign (resid 21 and name HN )(resid 17 and name HB# ) 5.0 3.2 1.0 assign (resid 21 and name HN )(resid 18 and name HA ) 5.0 3.2 0.0 assign (resid 21 and name HN )(resid 19 and name HA ) 5.0 3.2 0.0 assign (resid 21 and name HN )(resid 19 and name HN ) 5.0 3.2 0.0 !!??K21eNH3-7.615-I35-8.07,0.95 4.08, ?4.27w !L22--6.97- 5.18-5, 0.85-7, 1.77-8, 1.44-8, 0.35-5, !!V23-9.16-2 4.35ww !!K21-8.03-8, 3.87-8, 1.98-2&2.22-1, 1.38w, 1.72w !!S20-6.79-4, 4.71-1, 3.69-3, 4.15-1, !!C16-2.66-2, 2.76-1, 4.95w !!C17-9.42-1 4.56ww 2.78&3.20ww !!K18-4.26-7 8.98ww !!Q34-8.76ww !!?6.67-1, ?C31-2.58-1&3.19 assign (resid 22 and name HN )(resid 22 and name HA ) 3.5 1.7 0.0 assign (resid 22 and name HN )(resid 22 and name HB# ) 3.5 1.7 1.0 assign (resid 22 and name HN )(resid 22 and name HG ) 5.0 3.2 0.0 assign (resid 22 and name HN )(resid 22 and name HD1#) 3.5 1.7 2.4 assign (resid 22 and name HN )(resid 22 and name HD2#) 3.5 1.7 2.4 assign (resid 22 and name HN )(resid 23 and name HA ) 6.0 4.2 0.0 assign (resid 22 and name HN )(resid 21 and name HA ) 3.5 1.7 0.0 assign (resid 22 and name HN )(resid 21 and name HN ) 3.5 1.7 0.0 assign (resid 22 and name HN )(resid 21 and name HB# ) 5.0 3.2 1.0 assign (resid 22 and name HN )(resid 21 and name HG# ) 5.0 3.2 1.0 assign (resid 22 and name HN )(resid 21 and name HD# ) 5.0 3.2 1.0 assign (resid 22 and name HN )(resid 20 and name HN ) 5.0 3.2 0.0 assign (resid 22 and name HN )(resid 20 and name HA ) 6.0 4.2 0.0 assign (resid 22 and name HN )(resid 20 and name HB# ) 5.0 3.2 1.0 assign (resid 22 and name HN )(resid 16 and name HB# ) 5.0 3.2 1.0 !assign (resid 22 and name HN )(resid 16 and name HA ) 6.0 4.2 0.0 assign (resid 22 and name HN )(resid 17 and name HN ) 5.0 3.2 0.0 assign (resid 22 and name HN )(resid 17 and name HA ) 6.0 4.2 0.0 assign (resid 22 and name HN )(resid 17 and name HB# ) 5.0 3.2 1.0 assign (resid 22 and name HN )(resid 18 and name HA ) 3.5 1.7 0.0 assign (resid 22 and name HN )(resid 18 and name HN ) 6.0 4.2 0.0 assign (resid 22 and name HN )(resid 19 and name HN ) 6.0 4.2 0.0 assign (resid 22 and name HN )(resid 34 and name HN ) 6.0 4.2 0.0 !L22-dCH3(0.35)-K32HN-9.53, Q34-8.76,Y33-8.26,7.17, 6.82 !L22-dCH3(0.35)-I5-7.89,F6-8.60, C17-HN9.41, V23-9.16, !assign (resid 22 and name HD# )(resid 6 and name HN ) 5.0 3.2 2.4 !assign (resid 22 and name HD# )(resid 17 and name HN ) 5.0 3.2 2.4 !assign (resid 22 and name HD# )(resid 23 and name HN ) 5.0 3.2 2.4 !assign (resid 22 and name HD# )(resid 32 and name HN ) 5.0 3.2 2.4 !assign (resid 22 and name HD# )(resid 33 and name HN ) 5.0 3.2 2.4 !assign (resid 22 and name HD# )(resid 33 and name HD# ) 5.0 3.2 4.8 !assign (resid 22 and name HD# )(resid 33 and name HE# ) 5.0 3.2 4.8 !assign (resid 22 and name HD# )(resid 34 and name HN ) 5.0 3.2 2.4 !V23--9.16-0.80,0.88, 1.89 4.35-7s !!L22-6.98-3, 5.18-10, 1.77, 1.44-3, 0.36-5&0.85 !!C24-9.68-2 4.57w 2.57&3.15w !!C9--3.02&3.12w !!C16-2.66-3&2.77w !!C31-4.93w 3.19&2.57-3, !!K32-9.53-8 1.95w 1.45&1.58-5, !!Y33-8.26w, 4.72-2, 7.17ww !!Q34-8.77-3 4.25ww assign (resid 23 and name HN )(resid 23 and name HA ) 3.5 1.7 0.0 assign (resid 23 and name HN )(resid 23 and name HB ) 5.0 3.2 0.0 assign (resid 23 and name HN )(resid 23 and name HG1#) 5.0 3.2 2.4 assign (resid 23 and name HN )(resid 23 and name HG2#) 5.0 3.2 2.4 assign (resid 23 and name HN )(resid 22 and name HN ) 5.0 3.2 0.0 assign (resid 23 and name HN )(resid 22 and name HA ) 2.7 0.9 0.0 assign (resid 23 and name HN )(resid 22 and name HB# ) 5.0 3.2 1.0 assign (resid 23 and name HN )(resid 22 and name HG ) 5.0 3.2 0.0 assign (resid 23 and name HN )(resid 22 and name HD1#) 5.0 3.2 2.4 assign (resid 23 and name HN )(resid 22 and name HD2#) 5.0 3.2 2.4 assign (resid 23 and name HN )(resid 24 and name HN ) 5.0 3.2 0.0 assign (resid 23 and name HN )(resid 24 and name HA ) 5.0 3.2 0.0 assign (resid 23 and name HN )(resid 24 and name HB# ) 6.0 4.2 1.0 !assign (resid 23 and name HN )(resid 9 and name HB# ) 6.0 4.2 1.0 assign (resid 23 and name HN )(resid 16 and name HB# ) 5.0 3.2 1.0 assign (resid 23 and name HN )(resid 31 and name HA ) 5.0 3.2 0.0 assign (resid 23 and name HN )(resid 31 and name HB# ) 5.0 3.2 1.0 assign (resid 23 and name HN )(resid 32 and name HN ) 2.7 0.9 0.0 assign (resid 23 and name HN )(resid 32 and name HB# ) 5.0 3.2 1.0 assign (resid 23 and name HN )(resid 32 and name HG# ) 5.0 3.2 1.0 assign (resid 23 and name HN )(resid 33 and name HA ) 5.0 3.2 0.0 assign (resid 23 and name HN )(resid 33 and name HN ) 5.0 3.2 0.0 !assign (resid 23 and name HN )(resid 33 and name HE# ) 5.0 3.2 2.4 assign (resid 23 and name HN )(resid 34 and name HN ) 5.0 3.2 0.0 assign (resid 23 and name HN )(resid 34 and name HA ) 5.0 3.2 0.0 !V23HA-4.35-0.80&0.88s 1.89s !!L22-1.77 !!C16-2.66w,2.77m assign (resid 23 and name HA )(resid 22 and name HB# ) 5.0 3.2 1.0 assign (resid 23 and name HA )(resid 16 and name HB# ) 5.0 3.2 1.0 !C24--9.67- 4.57-7, 2.57-9, 3.15-10, !!V23-9.16-3, 4.35-12,1.89-7, 0.80-5&0.88-8, !!S25-7.73-3, !!C9-3.03-2&3.15w !!N10-5.16w !!P11HD-3.88-4 2.11www !!D14-4.13-1, 2.53&3.04 !!C16-9.31-3, 2.66-3&2.75-5, !!L22-1.44, 1.78 !!C31-4,93-2, !!K32-9.53-2 4.78-1, assign (resid 24 and name HN )(resid 24 and name HA ) 3.5 1.7 0.0 assign (resid 24 and name HN )(resid 24 and name HB# ) 2.7 0.9 1.0 assign (resid 24 and name HN )(resid 23 and name HN ) 5.0 3.2 0.0 assign (resid 24 and name HN )(resid 23 and name HA ) 2.7 0.9 0.0 assign (resid 24 and name HN )(resid 23 and name HB ) 3.5 1.7 0.0 assign (resid 24 and name HN )(resid 23 and name HG1# ) 3.5 1.7 2.4 assign (resid 24 and name HN )(resid 23 and name HG2# ) 3.5 1.7 2.4 assign (resid 24 and name HN )(resid 25 and name HN ) 5.0 3.2 0.0 assign (resid 24 and name HN )(resid 9 and name HB# ) 5.0 3.2 1.0 !assign (resid 24 and name HN )(resid 10 and name HA ) 6.0 4.2 0.0 !assign (resid 24 and name HN )(resid 11 and name HD# ) 5.0 3.2 1.0 assign (resid 24 and name HN )(resid 14 and name HA ) 5.0 3.2 0.0 assign (resid 24 and name HN )(resid 14 and name HB# ) 5.0 3.2 1.0 assign (resid 24 and name HN )(resid 16 and name HB# ) 5.0 3.2 1.0 assign (resid 24 and name HN )(resid 16 and name HN ) 5.0 3.2 0.0 assign (resid 24 and name HN )(resid 31 and name HA ) 5.0 3.2 0.0 assign (resid 24 and name HN )(resid 32 and name HN ) 5.0 3.2 0.0 !?3.88assign (resid 24 and name HN )(resid 21or26 and name HA ) !S25-7.72--4.40-7, 3.81-9,4.03-10 !!C24-9.67-4, 4,57-11,3.15-4, 2.57-4, !!R26-9.22-2, ?orP11-3.89-1, !!V23-0.81-2&0.88-2, 9.16 !!T28-7.49w 0.62ww ?2.56w !!R29-8.01-4, !!W30-5.62-2,7.04-2, 7.13-5, !!C31-8.58-2,4.93-7, !!K32-9.53-5,4.79-2, 1.45-2, 1.58-3, 1.73-2, 1.95-2,3.02-1, !?1.83-1, assign (resid 25 and name HN )(resid 25 and name HA ) 3.5 1.7 0.0 assign (resid 25 and name HN )(resid 25 and name HB# ) 2.7 0.9 1.0 assign (resid 25 and name HN )(resid 24 and name HN ) 5.0 3.2 0.0 assign (resid 25 and name HN )(resid 24 and name HA ) 2.7 0.9 0.0 assign (resid 25 and name HN )(resid 24 and name HB# ) 5.0 3.2 1.0 assign (resid 25 and name HN )(resid 26 and name HN ) 5.0 3.2 0.0 assign (resid 25 and name HN )(resid 23 and name HN ) 6.0 4.2 0.0 assign (resid 25 and name HN )(resid 23 and name HG1# ) 6.0 4.2 2.4 assign (resid 25 and name HN )(resid 23 and name HG2# ) 6.0 4.2 2.4 assign (resid 25 and name HN )(resid 28 and name HN ) 6.0 4.2 0.0 !assign (resid 25 and name HN )(resid 28 and name HB ) 5.0 3.2 0.0 !assign (resid 25 and name HN )(resid 28 and name HG2# ) 6.0 4.2 2.4 assign (resid 25 and name HN )(resid 29 and name HN ) 5.0 3.2 0.0 assign (resid 25 and name HN )(resid 30 and name HN ) 5.0 3.2 0.0 assign (resid 25 and name HN )(resid 30 and name HA ) 5.0 3.2 0.0 assign (resid 25 and name HN )(resid 30 and name HD1 ) 5.0 3.2 0.0 assign (resid 25 and name HN )(resid 31 and name HN ) 5.0 3.2 0.0 assign (resid 25 and name HN )(resid 31 and name HA ) 3.5 1.7 0.0 assign (resid 25 and name HN )(resid 32 and name HN ) 3.5 1.7 0.0 assign (resid 25 and name HN )(resid 32 and name HB# ) 5.0 3.2 1.0 !assign (resid 25 and name HN )(resid 32 and name HG# ) 6.0 4.2 1.0 !assign (resid 25 and name HN )(resid 32 and name HD# ) 5.0 3.2 1.0 !assign (resid 25 and name HN )(resid 32 and name HE# ) 5.0 3.2 1.0 !R26--9.21-3.88-7, 1.85-8,1.67-4, 1.78, 3.23-2, !!S25-7.73-3 4.40-10, 3.81-3&4.03-2 !!K27-7.95-5 4.17-1 !!P11--2.11-1,2.01 !!T28-7.49ww !!R29-8.00ww !!?V23-0.80&0.88 assign (resid 26 and name HN )(resid 26 and name HA ) 3.5 1.7 0.0 assign (resid 26 and name HN )(resid 26 and name HB# ) 2.7 0.9 1.0 assign (resid 26 and name HN )(resid 26 and name HG# ) 5.0 3.2 1.0 assign (resid 26 and name HN )(resid 25 and name HN ) 5.0 3.2 0.0 assign (resid 26 and name HN )(resid 25 and name HA ) 2.7 0.9 0.0 assign (resid 26 and name HN )(resid 25 and name HB# ) 5.0 3.2 1.0 assign (resid 26 and name HN )(resid 27 and name HN ) 3.5 1.7 0.0 assign (resid 26 and name HN )(resid 27 and name HA ) 6.0 4.2 0.0 assign (resid 26 and name HN )(resid 11 and name HB# ) 5.0 3.2 1.0 assign (resid 26 and name HN )(resid 28 and name HN ) 5.0 3.2 0.0 assign (resid 26 and name HN )(resid 29 and name HN ) 6.0 4.2 0.0 !K27--7.94-4.17-5, 1.30-2, 1.43-3, 1.68~1.86 !!T28-7.49-5, 0.63-2, !!R26-9.21-5, 3.88-4 1.72-7, 1.85-4 3.23ww !!S25-4.40-3, 3.81-2&4.03-2, assign (resid 27 and name HN )(resid 27 and name HA ) 3.5 1.7 0.0 assign (resid 27 and name HN )(resid 27 and name HB# ) 2.7 0.9 1.0 assign (resid 27 and name HN )(resid 27 and name HG# ) 5.0 3.2 1.0 assign (resid 27 and name HN )(resid 26 and name HN ) 3.5 1.7 0.0 assign (resid 27 and name HN )(resid 26 and name HA ) 5.0 3.2 0.0 assign (resid 27 and name HN )(resid 26 and name HB# ) 5.0 3.2 1.0 assign (resid 27 and name HN )(resid 26 and name HG# ) 5.0 3.2 1.0 assign (resid 27 and name HN )(resid 26 and name HD# ) 5.0 3.2 1.0 assign (resid 27 and name HN )(resid 28 and name HN ) 3.5 1.7 0.0 assign (resid 27 and name HN )(resid 28 and name HG2# ) 5.0 3.2 2.4 assign (resid 27 and name HN )(resid 25 and name HA ) 5.0 3.2 0.0 assign (resid 27 and name HN )(resid 25 and name HB# ) 5.0 3.2 1.0 !T28--7.49-3.95m, 2.56-3, 0.62-7 !!K27-7.94-5, 4.17-4, 1.73-6, 1.30-1, 1.45-1, !!R29-8.01-9, 3.81-5 !!S25-7.72-2, 4.40w, 3.81-5&4.03-5, !!?W30-7.14-3, 7.22-1, 7.62 ?R26-9.21ww ?1.70, assign (resid 28 and name HN )(resid 28 and name HA ) 3.5 1.7 0.0 assign (resid 28 and name HN )(resid 28 and name HB ) 5.0 3.2 0.0 assign (resid 28 and name HN )(resid 28 and name HG2# ) 5.0 3.2 2.4 assign (resid 28 and name HN )(resid 27 and name HA ) 5.0 3.2 0.0 assign (resid 28 and name HN )(resid 27 and name HN ) 3.5 1.7 0.0 assign (resid 28 and name HN )(resid 27 and name HB# ) 5.0 3.2 1.0 assign (resid 28 and name HN )(resid 27 and name HG# ) 5.0 3.2 1.0 assign (resid 28 and name HN )(resid 29 and name HN ) 2.7 0.9 0.0 assign (resid 28 and name HN )(resid 29 and name HA ) 5.0 3.2 0.0 !assign (resid 28 and name HN )(resid 25 and name HN ) 5.0 3.2 0.0 assign (resid 28 and name HN )(resid 25 and name HA ) 5.0 3.2 0.0 assign (resid 28 and name HN )(resid 25 and name HB# ) 3.5 1.7 1.0 assign (resid 28 and name HN )(resid 26 and name HN ) 6.0 4.2 0.0 !T28HA3.94-0.62s,2.56s !!1.30w, 1.46w, 1.69w, 1.82w, 2.37, 7.49,8.00 !R29--8.00-3.81-11,2.07-4,2.38-4,1.31-5,1.46-6, 3.26-1, !!T28-7.49-7,3.94-6, 2.56-2, 0.63-3, !!W30-7.13-8,5.62-1 !!C9-8.40ww !!S25-7.73-3, 4.40-1, 4.03-6,3.81-11, !!R26-?3.22-1 1.77, 1.66 !!K27-4.16-2, ?1.68,1.75-2, assign (resid 29 and name HN )(resid 29 and name HA ) 2.7 0.9 0.0 assign (resid 29 and name HN )(resid 29 and name HB# ) 5.0 3.2 1.0 assign (resid 29 and name HN )(resid 29 and name HG# ) 5.0 3.2 1.0 assign (resid 29 and name HN )(resid 29 and name HD# ) 5.0 3.2 1.0 assign (resid 29 and name HN )(resid 28 and name HN ) 2.7 0.9 0.0 assign (resid 29 and name HN )(resid 28 and name HA ) 3.5 1.7 0.0 assign (resid 29 and name HN )(resid 28 and name HB ) 5.0 3.2 0.0 assign (resid 29 and name HN )(resid 28 and name HG2# ) 5.0 3.2 2.4 assign (resid 29 and name HN )(resid 30 and name HN ) 3.5 1.7 0.0 assign (resid 29 and name HN )(resid 30 and name HA ) 6.0 4.2 0.0 !assign (resid 29 and name HN )(resid 9 and name HN ) 6.0 4.2 0.0 assign (resid 29 and name HN )(resid 25 and name HN ) 5.0 3.2 0.0 assign (resid 29 and name HN )(resid 25 and name HA ) 6.0 4.2 0.0 assign (resid 29 and name HN )(resid 25 and name HB# ) 5.0 3.2 1.0 !assign (resid 29 and name HN )(resid 26 and name HD# ) 6.0 4.2 1.0 !assign (resid 29 and name HN )(resid 26 and name HE# ) 6.0 4.2 1.0 assign (resid 29 and name HN )(resid 27 and name HA ) 5.0 3.2 0.0 !assign (resid 29 and name HN )(resid 27 and name HB# ) 5.0 3.2 1.0 !W30-HE1--10.55-7.04-12,7.27-6, 7.32-2, 7.60-10, 2,80-3, 3.19-2,5.61-1, !!F6-8.60-2, 3.80-4, 2.94w&3.20 6.60-7, 7.27-6 !!?C9-8.40www !!?D14-8.66www !!?S19-3.94&4.04 !!T28-3.94 2.56-6, 0.63-6 !!K32-9.53w, 1.44-2, 1.58-4, 1.73-4, 1.94-5, 3.03-3 assign (resid 30 and name HE1 )(resid 30 and name HB# ) 5.0 3.2 1.0 !assign (resid 30 and name HE1 )(resid 30 and name HA ) 5.0 3.2 0.0 assign (resid 30 and name HE1 )(resid 30 and name HD1 ) 2.7 0.9 0.0 assign (resid 30 and name HE1 )(resid 6 and name HN ) 5.0 3.2 0.0 assign (resid 30 and name HE1 )(resid 6 and name HA ) 5.0 3.2 0.0 assign (resid 30 and name HE1 )(resid 6 and name HB# ) 6.0 4.2 1.0 assign (resid 30 and name HE1 )(resid 6 and name HD# ) 3.5 1.7 2.4 assign (resid 30 and name HE1 )(resid 6 and name HE# ) 5.0 3.2 2.4 assign (resid 30 and name HE1 )(resid 28 and name HG2# ) 5.0 3.2 2.4 assign (resid 30 and name HE1 )(resid 28 and name HB ) 3.5 1.7 0.0 assign (resid 30 and name HE1 )(resid 28 and name HA ) 5.0 3.2 0.0 assign (resid 30 and name HE1 )(resid 32 and name HN ) 6.0 4.2 0.0 assign (resid 30 and name HE1 )(resid 32 and name HB# ) 5.0 3.2 1.0 assign (resid 30 and name HE1 )(resid 32 and name HG# ) 5.0 3.2 1.0 assign (resid 30 and name HE1 )(resid 32 and name HD# ) 5.0 3.2 1.0 !W30--7.13-5.63-2,2.80-4, 3.19-4, 10.55ww !!R29-8.01-9,3.81-9, 2.06, 2.37, 1.29, 1.45, !!C31-8.58-2, 4.93ww !!T28-2.56-3, 0.63-1 !!A8-4.87-ww !!C9-8.40-1 !!C24-4.57-2, !!S25-7.72w 4.41-1,4.03-9&3.80- assign (resid 30 and name HN )(resid 30 and name HA ) 3.5 1.7 0.0 assign (resid 30 and name HN )(resid 30 and name HB# ) 3.5 1.7 1.0 assign (resid 30 and name HN )(resid 29 and name HN ) 3.5 1.7 0.0 assign (resid 30 and name HN )(resid 29 and name HA ) 3.5 1.7 0.0 assign (resid 30 and name HN )(resid 29 and name HB# ) 5.0 3.2 1.0 assign (resid 30 and name HN )(resid 29 and name HG# ) 5.0 3.2 1.0 assign (resid 30 and name HN )(resid 31 and name HN ) 5.0 3.2 0.0 assign (resid 30 and name HN )(resid 31 and name HA ) 6.0 4.2 0.0 assign (resid 30 and name HN )(resid 28 and name HG2# ) 5.0 3.2 2.4 assign (resid 30 and name HN )(resid 28 and name HB ) 5.0 3.2 0.0 assign (resid 30 and name HN )(resid 8 and name HA ) 6.0 4.2 0.0 assign (resid 30 and name HN )(resid 9 and name HN ) 5.0 3.2 0.0 assign (resid 30 and name HN )(resid 24 and name HA ) 6.0 4.2 0.0 !assign (resid 30 and name HN )(resid 24 and name HB# ) 5.0 3.2 1.0 assign (resid 30 and name HN )(resid 25 and name HN ) 5.0 3.2 0.0 assign (resid 30 and name HN )(resid 25 and name HA ) 6.0 4.2 0.0 assign (resid 30 and name HN )(resid 25 and name HB# ) 3.5 1.7 1.0 !W30HA-5.63-2.80s, 3.19s, 7.04, 7.12, 7.64, !!F6-3.80mw !!K7-7.84, !!A8-8.34, 4.88s, 1.56-4 !!C9-8.40s,3.03w 3.11 !!C24-4.57ww !!S25-7.73 4.40ww, !!R29-8.01 !!C31-8.57s !!?K32-9.52ww assign (resid 30 and name HA )(resid 30 and name HB# ) 2.7 0.9 1.0 !assign (resid 30 and name HA )(resid 6 and name HA ) 5.0 3.2 0.0 assign (resid 30 and name HA )(resid 7 and name HN ) 5.0 3.2 0.0 assign (resid 30 and name HA )(resid 8 and name HA ) 3.5 1.7 0.0 assign (resid 30 and name HA )(resid 8 and name HB# ) 5.0 3.2 2.4 assign (resid 30 and name HA )(resid 8 and name HN ) 5.0 3.2 0.0 assign (resid 30 and name HA )(resid 9 and name HB# ) 5.0 3.2 1.0 assign (resid 30 and name HA )(resid 9 and name HN ) 3.5 1.7 0.0 assign (resid 30 and name HA )(resid 24 and name HA ) 5.0 3.2 0.0 assign (resid 30 and name HA )(resid 25 and name HN ) 5.0 3.2 0.0 assign (resid 30 and name HA )(resid 31 and name HN ) 2.7 0.9 0.0 !W30-HD17.04--2.80&3.20s !!T28-2.56, 0.62, !!K32-1.44, 1.57, 1.74, 1.94, 3.03 9.54w !!F6-3.80s, 2.94&3.20s 6.60 F6&C31-8.60 @C31-4.93ww !!A8-8.34ww !!C9-8.40ww A8orC9-4.88 ?K7-7.83 !!S25HB-4.03&3.80w, ?7or25?-4.41 7.73w R26?-3.27? !!R29-HA-3.82m 8.01ww !!?C24-4.56ww 0.32, 0.84, !assign (resid 30 and name HD1 )(resid 6 and name HN ) 6.0 4.2 0.0 assign (resid 30 and name HD1 )(resid 6 and name HA ) 5.0 3.2 0.0 assign (resid 30 and name HD1 )(resid 6 and name HB# ) 5.0 3.2 1.0 !assign (resid 30 and name HD1 )(resid 8 and name HN ) 6.0 4.2 0.0 !assign (resid 30 and name HD1 )(resid 9 and name HN ) 6.0 4.2 0.0 !assign (resid 30 and name HD1 )(resid 8or9 and name HA ) 5.0 3.2 0.0 !assign (resid 30 and name HD1 )(resid 25 and name HA ) 6.0 4.2 0.0 assign (resid 30 and name HD1 )(resid 25 and name HN ) 5.0 3.2 0.0 assign (resid 30 and name HD1 )(resid 25 and name HB# ) 5.0 3.2 1.0 assign (resid 30 and name HD1 )(resid 28 and name HB ) 5.0 3.2 0.0 !assign (resid 30 and name HD1 )(resid 29 and name HA ) 5.0 3.2 0.0 !assign (resid 30 and name HD1 )(resid 29 and name HN ) 5.0 3.2 0.0 !assign (resid 30 and name HD1 )(resid 31 and name HN ) 6.0 4.2 0.0 assign (resid 30 and name HD1 )(resid 31 and name HA ) 5.0 3.2 0.0 assign (resid 30 and name HD1 )(resid 32 and name HN ) 5.0 3.2 0.0 assign (resid 30 and name HD1 )(resid 32 and name HB# ) 5.0 3.2 1.0 assign (resid 30 and name HD1 )(resid 32 and name HG# ) 5.0 3.2 1.0 assign (resid 30 and name HD1 )(resid 32 and name HD# ) 5.0 3.2 1.0 !?assign (resid 30 and name HD1 )(resid 17or24 and name HA ) 5.0 3.2 0.0 !W30-4H-HE3-7.63-5.62-4, 2.80, 3.20 !!F6-8.59-4, 3.81-6, 2.93-2&3.19s 6.60-4, !!?4or12-7.82 !!A8-8.34ww, 4.88-2, 1.56-2, !!C9-8.40ww !!T28-3.93, 0.63-2, 2.56 !!?C31-2.56-s, 3.19s !!K32-1.94 ?10or22-5.19w !assign (resid 30 and name HE3 )(resid 30 and name HE1 ) 5.0 3.2 0.0 assign (resid 30 and name HE3 )(resid 30 and name HA ) 5.0 3.2 0.0 !assign (resid 30 and name HE3 )(resid 6 and name HN ) 6.0 4.2 0.0 assign (resid 30 and name HE3 )(resid 6 and name HA ) 5.0 3.2 0.0 !assign (resid 30 and name HE3 )(resid 6 and name HB# ) 5.0 3.2 1.0 assign (resid 30 and name HE3 )(resid 6 and name HD# ) 5.0 3.2 2.4 assign (resid 30 and name HE3 )(resid 8 and name HN ) 6.0 4.2 0.0 assign (resid 30 and name HE3 )(resid 8 and name HA ) 5.0 3.2 0.0 assign (resid 30 and name HE3 )(resid 8 and name HB# ) 5.0 3.2 2.4 !assign (resid 30 and name HE3 )(resid 9 and name HN ) 6.0 4.2 0.0 !?assign (resid 30 and name HE3 )(resid 31 and name HB# ) 2.7 0.9 1.0 !assign (resid 30 and name HE3 )(resid 28 and name HA ) 5.0 3.2 0.0 assign (resid 30 and name HE3 )(resid 28 and name HB ) 5.0 3.2 0.0 assign (resid 30 and name HE3 )(resid 28 and name HG2# ) 5.0 3.2 2.4 !?7.62-I35-4.08,0.95, 8.07 Q34-4.25, !7.60-0.63-6, 10.55-9, !!T28-2.56-3ww,0.63-2, 3.95 !!F6-6.60-3, 2.94&3.20ww 3.80ww assign (resid 30 and name HZ2 )(resid 30 and name HE1 ) 3.5 1.7 0.0 assign (resid 30 and name HZ2 )(resid 28 and name HA ) 5.0 3.2 0.0 assign (resid 30 and name HZ2 )(resid 28 and name HB ) 5.0 3.2 0.0 assign (resid 30 and name HZ2 )(resid 28 and name HG2# ) 5.0 3.2 2.4 !assign (resid 30 and name HZ2 )(resid 6 and name HA ) 6.0 4.2 0.0 !assign (resid 30 and name HZ2 )(resid 6 and name HB# ) 6.0 4.2 1.0 !assign (resid 30 and name HZ2 )(resid 6 and name HD# ) 6.0 4.2 2.4 !7.32-0.62-3, 2.05-1, 2.37-2, 2.56-2, 3.22-6, 3.31-1, 3.80-1, 3.88-1, 3.94-1 !7.32-7.23-11, 7.01-1, !C31--8.57-4.92-4, 2.58-4&3.19-6 !!W30-7.14-2, 2.80-5, 3.19-6, 5.63-s6,7.04-3, 7.64-4, 7.22 !!K32-9.53-3, !!L3-1.00 !!?I5-3.27-3, 0.58-1, !!F6-3.80-3, 6.61-1, !!K7-7.84w, 4.41-1, 2.15-2&1.82-1, 1.33&1.59-1 !!C9-8.39-5w, 3.02-2, ?3.12 !!A8-8.34w, 4.87 1.57-1 !!C16-2.66&2.76ww !!L22-0.35-1, 0.86-2 !!C24-4.57-2 !!S25-7.73-3 assign (resid 31 and name HN )(resid 31 and name HA ) 3.5 1.7 0.0 assign (resid 31 and name HN )(resid 31 and name HB# ) 3.5 1.7 1.0 assign (resid 31 and name HN )(resid 30 and name HN ) 5.0 3.2 0.0 assign (resid 31 and name HN )(resid 30 and name HA ) 2.7 0.9 0.0 assign (resid 31 and name HN )(resid 30 and name HB# ) 3.5 1.7 1.0 assign (resid 31 and name HN )(resid 30 and name HD1 ) 5.0 3.2 0.0 assign (resid 31 and name HN )(resid 32 and name HN ) 5.0 3.2 0.0 assign (resid 31 and name HN )(resid 6 and name HA ) 5.0 3.2 0.0 assign (resid 31 and name HN )(resid 6 and name HB# ) 6.0 4.2 1.0 assign (resid 31 and name HN )(resid 6 and name HD# ) 6.0 4.2 1.0 assign (resid 31 and name HN )(resid 7 and name HN ) 5.0 3.2 0.0 assign (resid 31 and name HN )(resid 7 and name HA ) 5.0 3.2 0.0 assign (resid 31 and name HN )(resid 7 and name HB# ) 5.0 3.2 1.0 assign (resid 31 and name HN )(resid 7 and name HG# ) 5.0 3.2 1.0 assign (resid 31 and name HN )(resid 8 and name HN ) 6.0 4.2 0.0 assign (resid 31 and name HN )(resid 8 and name HA ) 5.0 3.2 0.0 assign (resid 31 and name HN )(resid 8 and name HB# ) 5.0 3.2 2.4 assign (resid 31 and name HN )(resid 9 and name HN ) 5.0 3.2 0.0 assign (resid 31 and name HN )(resid 9 and name HB# ) 5.0 3.2 1.0 !assign (resid 31 and name HN )(resid 16 and name HB# ) 6.0 4.2 1.0 assign (resid 31 and name HN )(resid 22 and name HD1# ) 6.0 4.2 2.4 assign (resid 31 and name HN )(resid 22 and name HD2# ) 6.0 4.2 2.4 assign (resid 31 and name HN )(resid 24 and name HA ) 5.0 3.2 0.0 assign (resid 31 and name HN )(resid 25 and name HN ) 5.0 3.2 0.0 !C31-4.93-2.58s,3.19s, !!I5-3.27ww !!L22-0.35&0.85 !!C24-4.57ss assign (resid 31 and name HA )(resid 31 and name HB#) 2.7 0.9 1.0 assign (resid 31 and name HA )(resid 5 and name HA ) 5.0 3.2 0.0 assign (resid 31 and name HA )(resid 22 and name HD1#) 5.0 3.2 2.4 assign (resid 31 and name HA )(resid 22 and name HD2#) 5.0 3.2 2.4 assign (resid 31 and name HA )(resid 24 and name HA ) 2.7 0.9 0.0 !K32--9.53-4.79-4,1.95-6,1.45-5, 1.58-6, 1.75-2, 3.02w !!C31-8.58-3,4.93-11,2.57-6&3.18-4, !!Y33-8.26-1, !!I5 -3.27w !!F6 -3.81-1 !!C16-2.65-1&2.75-1 !!L22-5.18-3 0.35-4&0.86 !!V23-9.16-8, 4.35-2, 0.81&0.86-4, !!C24-4.57-6 !!S25-7.73-4 !!W30-5.62ww, 7.04-1 assign (resid 32 and name HN )(resid 32 and name HA ) 3.5 1.7 0.0 assign (resid 32 and name HN )(resid 32 and name HB# ) 3.5 1.7 1.0 assign (resid 32 and name HN )(resid 32 and name HG# ) 5.0 3.2 1.0 assign (resid 32 and name HN )(resid 32 and name HD# ) 5.0 3.2 1.0 assign (resid 32 and name HN )(resid 31 and name HA ) 2.7 0.9 0.0 assign (resid 32 and name HN )(resid 31 and name HN ) 5.0 3.2 0.0 assign (resid 32 and name HN )(resid 31 and name HB# ) 3.5 1.7 1.0 assign (resid 32 and name HN )(resid 33 and name HN ) 5.0 3.2 0.0 assign (resid 32 and name HN )(resid 5 and name HA ) 5.0 3.2 0.0 !assign (resid 32 and name HN )(resid 6 and name HA ) 5.0 3.2 0.0 assign (resid 32 and name HN )(resid 16 and name HB# ) 5.0 3.2 1.0 assign (resid 32 and name HN )(resid 22 and name HA ) 5.0 3.2 0.0 assign (resid 32 and name HA )(resid 22 and name HD1# ) 5.0 3.2 2.4 assign (resid 32 and name HA )(resid 22 and name HD2# ) 5.0 3.2 2.4 assign (resid 32 and name HN )(resid 23 and name HA ) 5.0 3.2 0.0 assign (resid 32 and name HN )(resid 23 and name HN ) 2.7 0.9 0.0 assign (resid 32 and name HN )(resid 23 and name HG1# ) 5.0 3.2 2.4 assign (resid 32 and name HN )(resid 23 and name HG2# ) 5.0 3.2 2.4 assign (resid 32 and name HN )(resid 24 and name HA ) 5.0 3.2 0.0 assign (resid 32 and name HN )(resid 25 and name HN ) 5.0 3.2 0.0 !assign (resid 32 and name HN )(resid 30 and name HA ) 6.0 4.2 0.0 assign (resid 32 and name HN )(resid 30 and name HD1 ) 5.0 3.2 0.0 !Y33--8.27-4.72-6, 3.07-8&2.81-9, 7.18-7, 6.82ww !!K32-9.54-2, 1.45-4, 1.58-3, 1.73-2, 1.96-8, 4.80-4, !!Q34-8.77-3 !!I5--3.26ww, -0.06-1&0.59-2 0.74ww, 0.32m !!L22-5.18-2 0.35m &0.85w !!V23-9.17ww 4.35ww !!I35-8.08-2, assign (resid 33 and name HN )(resid 33 and name HA ) 3.5 1.7 0.0 assign (resid 33 and name HN )(resid 33 and name HB# ) 2.7 0.9 1.0 assign (resid 33 and name HN )(resid 33 and name HD# ) 3.5 1.7 2.4 assign (resid 33 and name HN )(resid 33 and name HE# ) 5.0 3.2 1.0 assign (resid 33 and name HN )(resid 32 and name HN ) 5.0 3.2 0.0 assign (resid 33 and name HN )(resid 32 and name HA ) 3.5 1.7 0.0 assign (resid 33 and name HN )(resid 32 and name HB# ) 5.0 3.2 1.0 assign (resid 33 and name HN )(resid 32 and name HG# ) 5.0 3.2 1.0 assign (resid 33 and name HN )(resid 32 and name HD# ) 5.0 3.2 1.0 assign (resid 33 and name HN )(resid 34 and name HN ) 5.0 3.2 0.0 assign (resid 33 and name HN )(resid 5 and name HA ) 6.0 4.2 0.0 assign (resid 33 and name HN )(resid 5 and name HG1# ) 5.0 3.2 1.0 assign (resid 33 and name HN )(resid 5 and name HG2# ) 5.0 3.2 2.4 assign (resid 33 and name HN )(resid 5 and name HD1# ) 5.0 3.2 2.4 assign (resid 33 and name HN )(resid 22 and name HA ) 5.0 3.2 0.0 assign (resid 33 and name HN )(resid 22 and name HD1# ) 5.0 3.2 2.4 assign (resid 33 and name HN )(resid 22 and name HD2# ) 5.0 3.2 2.4 assign (resid 33 and name HN )(resid 23 and name HN ) 6.0 4.2 0.0 !assign (resid 33 and name HN )(resid 23 and name HA ) 6.0 4.2 0.0 !assign (resid 33 and name HN )(resid 35 and name HN ) 6.0 4.2 0.0 !Y33HD-7.17-2.81, 3.06,4.72 !!I5-0.31,0.58, 0.72, !!K21-2.00, 2.22, !!L22-5.19,0.35,1.42,0.86, V23-9.16ww !!I35-0.94, !!?E4-4.15, ?K32-4.78 !assign (resid 33 and name HD# )(resid 23 and name HN ) 5.0 3.2 2.4 !assign (resid 33 and name HD# )(resid 21 and name HB# ) 5.0 3.2 3.4 !assign (resid 33 and name HD# )(resid 22 and name HA ) 5.0 3.2 2.4 !Y33HE-6.82-2.81, 3.06, 4.72 !!?K27orE4-4.16, !!I5-0.31,0.58, 0.72, !!K21-2.00, 2.22, 1.40(not 1.42),1.72, !!L22-5.19,0.35,0.86, !!I35-0.94, !assign (resid 33 and name HE# )(resid 22 and name HA ) 5.0 3.2 2.4 !Y33HA-4.72-L22-5.18s, 6.82, 7.17s, !!0.36s,0.85w, 2.81s, 3.07s, assign (resid 33 and name HA )(resid 22 and name HA ) 2.7 0.9 0.0 !S20HA-4.71-3.69s,4.15s, 1.44w, !Q34-8.77-4.26-8, 1.82-7&2.20m 1.97-7&2.24m !!Y33-8.27-3, 4.72-9, 2.81-4&3.07-5, 6.82-2,7.17-6 !!I35-8.07-4 !!K21-3.88-1 !!L22-6.97 5.18-6, 0.35-5 !!V23-9.16-3, 0.80-2&0.87-2 assign (resid 34 and name HN )(resid 34 and name HA ) 3.5 1.7 0.0 assign (resid 34 and name HN )(resid 34 and name HB# ) 5.0 3.2 1.0 assign (resid 34 and name HN )(resid 34 and name HG# ) 5.0 3.2 1.0 assign (resid 34 and name HN )(resid 33 and name HN ) 5.0 3.2 0.0 assign (resid 34 and name HN )(resid 33 and name HA ) 2.7 0.9 0.0 assign (resid 34 and name HN )(resid 33 and name HB# ) 5.0 3.2 1.0 assign (resid 34 and name HN )(resid 33 and name HB# ) 5.0 3.2 1.0 assign (resid 34 and name HN )(resid 33 and name HD# ) 5.0 3.2 2.4 assign (resid 34 and name HN )(resid 33 and name HE# ) 5.0 3.2 2.4 assign (resid 34 and name HN )(resid 35 and name HN ) 5.0 3.2 1.0 assign (resid 34 and name HN )(resid 21 and name HA ) 5.0 3.2 0.0 assign (resid 34 and name HN )(resid 22 and name HN ) 6.0 4.2 0.0 assign (resid 34 and name HN )(resid 22 and name HA ) 3.5 1.7 0.0 assign (resid 34 and name HN )(resid 22 and name HD1# ) 5.0 3.2 2.4 assign (resid 34 and name HN )(resid 22 and name HD2# ) 5.0 3.2 2.4 assign (resid 34 and name HN )(resid 23 and name HN ) 5.0 3.2 0.0 assign (resid 34 and name HN )(resid 23 and name HG1# ) 5.0 3.2 2.4 assign (resid 34 and name HN )(resid 23 and name HG2# ) 5.0 3.2 2.4 !Q34--6.88,7.43 !7.43-0.80-2, 0.87-2, 1.88-1, 2.19-3, 3.22-1, 6.60-2, 6.88-14, 7.12-3, 7.28-2 !7.43-7.32-2, !I35--8.07-0.95-4, 1.22-3, 1.50-3, 1.82-8, 4.08w !!Q34- 8.77-4 4.26-10, 2.21-2&1.82-8, 1.97-4&2.24-2, !!V23-0.80ww,0.88w !!Y33-6.82&7.17ww !!?K32eNH3-7.62w 1.60ww, assign (resid 35 and name HN )(resid 35 and name HA ) 5.0 3.2 0.0 assign (resid 35 and name HN )(resid 35 and name HB# ) 3.5 1.7 1.0 assign (resid 35 and name HN )(resid 35 and name HG1# ) 5.0 3.2 1.0 assign (resid 35 and name HN )(resid 35 and name HG2# ) 5.0 3.2 1.0 assign (resid 35 and name HN )(resid 35 and name HD1# ) 5.0 3.2 1.0 assign (resid 35 and name HN )(resid 34 and name HN ) 5.0 3.2 0.0 assign (resid 35 and name HN )(resid 34 and name HA ) 2.7 0.9 0.0 assign (resid 35 and name HN )(resid 34 and name HB# ) 5.0 3.2 1.0 assign (resid 35 and name HN )(resid 34 and name HG# ) 5.0 3.2 1.0 assign (resid 35 and name HN )(resid 23 and name HG1# ) 5.0 3.2 2.4 assign (resid 35 and name HN )(resid 23 and name HG2# ) 5.0 3.2 2.4 assign (resid 35 and name HN )(resid 33 and name HD# ) 5.0 3.2 2.4 assign (resid 35 and name HN )(resid 33 and name HE# ) 5.0 3.2 2.4 !D14HA4.13--8.68s,2.52,3.04 !!N13-7.63w Q15-8.08s N10-9.12, C16-9.31 C24-9.67w 3.16,2.57 assign (resid 14 and name HA )(resid 14 and name HB# ) 2.7 0.9 1.0 assign (resid 14 and name HA )(resid 24 and name HN ) 5.0 3.2 0.0 assign (resid 14 and name HA )(resid 24 and name HB# ) 5.0 3.2 1.0 assign (resid 14 and name HA )(resid 10 and name HN ) 5.0 3.2 0.0 assign (resid 14 and name HA )(resid 15 and name HN ) 2.7 0.9 0.0 assign (resid 14 and name HA )(resid 16 and name HN ) 5.0 3.2 0.0 assign (resid 14 and name HA )(resid 13 and name HN ) 5.0 3.2 0.0 !F6HA-3.80--2.80s, 2.94s, 3.21s,6.60,7.27w 8.60 !!K7-7.83 !!W30(H2O)-10.55, W30(D2O)-7.04,7.64,2.80s,3.21s, assign (resid 6 and name HA )(resid 6 and name HB# ) 2.7 0.9 1.0 assign (resid 6 and name HA )(resid 6 and name HD# ) 2.7 0.9 2.4 assign (resid 6 and name HA )(resid 6 and name HE# ) 5.0 3.2 2.4 assign (resid 6 and name HA )(resid 7 and name HN ) 3.5 1.7 0.0 assign (resid 6 and name HA )(resid 30 and name HB# ) 5.0 3.2 1.0 assign (resid 6 and name HA )(resid 30 and name HD1 ) 5.0 3.2 0.0 assign (resid 6 and name HA )(resid 30 and name HE3 ) 5.0 3.2 0.0 assign (resid 6 and name HA )(resid 30 and name HE1 ) 5.0 3.2 0.0 !S25HB3.81,4.03--4.41,7.73, R29-8.00 T28-7.48 W30-7.13, ?1.59, 1.74, assign (resid 25 and name HB# )(resid 28 and name HN ) 5.0 3.2 0.0 assign (resid 25 and name HB# )(resid 29 and name HN ) 5.0 3.2 0.0 assign (resid 25 and name HB# )(resid 30 and name HN ) 5.0 3.2 0.0 !R29HA-3.82-1.30, 1.46, 2.07, 2.37, C9-8.40w W30-7.13, assign (resid 29 and name HA )(resid 9 and name HN ) 5.0 3.2 0.0 assign (resid 29 and name HA )(resid 30 and name HN ) 5.0 3.2 0.0 !C17HA-4.56--2.79 3.20, C2-3.24&3.35,5.06 ?V23-0.86w assign (resid 17 and name HA )(resid 17 and name HB# ) 2.7 0.9 1.0 assign (resid 17 and name HA )(resid 2 and name HB# ) 3.5 1.7 1.0 assign (resid 17 and name HA )(resid 2 and name HA ) 5.0 3.2 0.0 !C24HA-4.57-- 2.58&3.17 C31-4.93s ?V23-0.86w assign (resid 24 and name HA )(resid 24 and name HB# ) 2.7 0.9 1.0 assign (resid 24 and name HA )(resid 31 and name HA ) 2.7 0.9 0.0 !N10-5.17-2.80s,3.05s, !!P11-HD3.88s, HA3.95s, HB1.82w&2.10w, assign (resid 10 and name HA )(resid 10 and name HB# ) 2.7 0.9 1.0 assign (resid 10 and name HA )(resid 11 and name HA ) 5.0 3.2 0.0 assign (resid 10 and name HA )(resid 11 and name HB# ) 5.0 3.2 1.0 assign (resid 10 and name HA )(resid 11 and name HD# ) 2.7 0.9 1.0 !L22-5.19-0.36s,1.44, 1.78, 0.86s, 7.17w, !!?2.57w, ?2.66w, V23-4.35ww, Y33-4.72s, 7.17 assign (resid 22 and name HA )(resid 23 and name HA ) 5.0 3.2 0.0 assign (resid 22 and name HA )(resid 33 and name HA ) 2.7 0.9 0.0 assign (resid 22 and name HA )(resid 33 and name HD# ) 5.0 3.2 2.4
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