NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
11753 1ryv 6066 cing 1-original 1 XPLOR/CNS distance NOE simple


!E1
assign (resid 1 and name HA )  (resid 1 and name HB#) 5.0 3.2 1.0

!C2?
assign (resid 2 and name HA )  (resid 2 and name HB#)  2.7 0.9 1.0  !!0.585E+07 or 0.605E+07
assign (resid 2 and name HA )  (resid 3 and name HG)   3.5 1.7 0.0  !!0.113E+07
assign (resid 2 and name HA )  (resid 15 and name HB#) 5.0 3.2 1.0
assign (resid 2 and name HN )  (resid 2 and name HA)   3.5 1.7 0.0  !!0.186E+08/3
assign (resid 2 and name HN )  (resid 2 and name HB#)  3.5 1.7 1.0  !!0.408E+07 or 0.798E+07/4
assign (resid 2 and name HN )  (resid 1 and name HA )  2.7 0.9 0.0  !!0.611E+07 
assign (resid 2 and name HN )  (resid 1 and name HB#)  3.5 1.7 1.0  !!0.102E+07

!L3
assign (resid 3 and name HN )  (resid 3 and name HA)   3.5 1.7 0.0  !!0.366E+07/2?
assign (resid 3 and name HN )  (resid 3 and name HB#)  3.5 1.7 1.0  !!0.527E+07/2 or 0.153E+07
assign (resid 3 and name HN )  (resid 3 and name HG)   2.7 0.9 0.0  !!0.501E+07
assign (resid 3 and name HN )  (resid 3 and name HD#)  5.0 3.2 2.4  !!0.688E+06 or 0.682E+06
assign (resid 3 and name HN )  (resid 2 and name HB#)  3.5 1.7 1.0  !!0.798E+07/5?
assign (resid 3 and name HN )  (resid 2 and name HA )  2.7 0.9 0.0  !!0.186E+08/3
assign (resid 3 and name HN )  (resid 15 and name HB#) 5.0 3.2 1.0  !!0.485E+06
assign (resid 3 and name HN )  (resid 17 and name HA ) 5.0 3.2 0.0  !!0.148E+06
assign (resid 3 and name HA )  (resid 3 and name HB#)  2.7 0.9 1.0  !!0.708E+07/2 or 0.548E+07
assign (resid 3 and name HA )  (resid 3 and name HG)   3.5 1.7 0.0  !!0.861E+07/3?
assign (resid 3 and name HA )  (resid 3 and name HD#)  5.0 3.2 2.4  !!0.112E+08/6?
assign (resid 3 and name HB#)  (resid 3 and name HD#)  5.0 3.2 3.4  !!0.845E+06 or 0.925E+06
assign (resid 3 and name HG )  (resid 3 and name HD#)  3.5 1.7 2.4  !!0.240E+07 or 0.342E+07

!G4
assign (resid 4 and name HN )  (resid 4 and name HA#)  2.7 0.9 1.0  !!0.213E+07 or 0.100E+08/2?
assign (resid 4 and name HN )  (resid 3 and name HA)   2.7 0.9 0.0  !!0.132E+08/2?
assign (resid 4 and name HN )  (resid 3 and name HB#)  3.5 1.7 1.0  !!0.118E+07?
assign (resid 4 and name HN )  (resid 3 and name HD#)  5.0 3.2 2.4  !!0.156E+06 or 0.718E+06
assign (resid 4 and name HN )  (resid 7 and name HB#)  5.0 3.2 1.0  !!0.542E+06 or 0.576E+06
assign (resid 4 and name HN )  (resid 7 and name HG#)  3.5 1.7 1.0  !!0.596E+06 or 0.252E+07?
assign (resid 4 and name HA#)  (resid 22 and name HD#) 5.0 3.2 3.4  !!0.412E+07/3? or 0.111E+07
 

!F5
assign (resid 5 and name HN )  (resid 5 and name HA)   3.5 1.7 0.0  !!0.722E+07/2
assign (resid 5 and name HN )  (resid 5 and name HB#)  2.7 0.9 0.0  !!0.586E+07 or 0.570E+07
assign (resid 5 and name HN )  (resid 4 and name HA#)  2.7 0.9 1.0  !!0.572E+07 or 0.722E+07/2?
assign (resid 5 and name HN )  (resid 22 and name HD#) 5.0 3.2 2.4  !!0.179E+07 or 0.618E+06
assign (resid 5 and name HD# ) (resid 5 and name HA)   3.5 1.7 2.4  !!0.437E+07/2
assign (resid 5 and name HD# ) (resid 5 and name HB#)  3.5 1.7 3.4  !!0.561E+07 or 0.748E+07/2
assign (resid 5 and name HD# ) (resid 22 and name HD#) 5.0 3.2 4.8  !!0.538E+07 or 0.433E+06/6
assign (resid 5 and name HD# ) (resid 32 and name HA)  3.5 1.7 2.4  !!0.154E+08
assign (resid 5 and name HE# ) (resid 32 and name HA)  3.5 1.7 2.4  !!0.146E+08
assign (resid 5 and name HE# ) (resid 32 and name HB#) 5.0 3.2 3.4  !!0.351E+07 or 0.137E+07 (d2o)
assign (resid 5 and name HE# ) (resid 32 and name HG#) 5.0 3.2 3.4  !!0.246E+07
assign (resid 5 and name HE# ) (resid 6 and name HA#)  5.0 3.2 3.4  !!0.724E+06/2
assign (resid 5 and name HE# ) (resid 5 and name HA)   5.0 3.2 2.4  !!0.724E+06/2
assign (resid 5 and name HE# ) (resid 5 and name HB#)  5.0 3.2 3.4  !!0.564E+06 or 0.616E+06/2
assign (resid 5 and name HE# ) (resid 22 and name HD#) 5.0 3.2 4.8  !!0.878E+06
assign (resid 5 and name HE# ) (resid 5  and name HD#) 2.7 0.9 4.8 
assign (resid 5 and name HN )  (resid 5  and name HD#) 5.0 3.2 2.4  !!0.611E+06
assign (resid 5 and name HA )  (resid 5 and name HB#)  3.5 1.7 1.0  !!0.223E+07
assign (resid 5 and name HA )  (resid 31 and name HB#) 5.0 3.2 1.0  !!0.465E+06 or 0.819E+06
assign (resid 5 and name HA )  (resid 22 and name HD#) 5.0 3.2 2.4  !!0.223E+07 or 0.351E+07
assign (resid 5 and name HB#)  (resid 22 and name HD#) 5.0 3.2 3.4  !!0.216E+07

!G6
assign (resid 6 and name HN )  (resid 6 and name HA#)  3.5 1.7 1.0  !!0.139E+08 or 0.654E+07
assign (resid 6 and name HN )  (resid 5 and name HA )  2.7 0.9 0.0
assign (resid 6 and name HN )  (resid 5 and name HB#)  5.0 3.2 1.0  !!0.236E+05
assign (resid 6 and name HN )  (resid 31 and name HB#) 3.5 1.7 1.0  !!0.527E+07/2? or 0.513E+07/2?
assign (resid 6 and name HN )  (resid 22 and name HD#) 5.0 3.2 2.4  !!0.204E+06 or 0.772E+06
assign (resid 6 and name HN )  (resid 5 and name HD#)  5.0 3.2 2.4  !!0.178E+07/2
assign (resid 6 and name HN )  (resid 30 and name HE3) 5.0 3.2 0.0  !!0.665E+06
assign (resid 6 and name HA#)  (resid 22 and name HD#) 5.0 3.2 3.4  !!0.110E+07 

!K7
assign (resid 7 and name HN )  (resid 7 and name HA)   3.5 1.7 0.0  !!0.252E+07 
assign (resid 7 and name HN )  (resid 7 and name HB#)  2.7 0.9 1.0  !!0.523E+07 or 0.137E+07 
assign (resid 7 and name HN )  (resid 7 and name HG#)  3.5 1.7 1.0  !!0.736E+06 or 0.380E+07
assign (resid 7 and name HN )  (resid 7 and name HD#)  5.0 3.2 1.0  !!0.347E+05
assign (resid 7 and name HN )  (resid 3 and name HB#)  5.0 3.2 1.0  !!0.115E+06
assign (resid 7 and name HN )  (resid 5 and name HA )  5.0 3.2 0.0
assign (resid 7 and name HN )  (resid 6 and name HA#)  3.5 1.7 1.0  !!0.174E+07 or 0.919E+06? 
assign (resid 7 and name HN )  (resid 31 and name HB#) 3.5 1.7 1.0  !!0.182E+07 or 0.469E+06
assign (resid 7 and name HN )  (resid 6 and name HN)   3.5 1.7 0.0  !!0.357E+07
assign (resid 7 and name HA )  (resid 7 and name HB#)  3.5 1.7 1.0  !!0.195E+07 or 0.344E+07/2?
assign (resid 7 and name HA )  (resid 7 and name HG#)  3.5 1.7 1.0  !!0.102E+07/2? or 0.157E+07
assign (resid 7 and name HA )  (resid 7 and name HD#)  3.5 1.7 1.0  !!0.539E+07/2?
assign (resid 7 and name HB#)  (resid 7 and name HG#)  5.0 3.2 2.0  !!0.990E+06

!G8
assign (resid 8 and name HN )  (resid 8 and name HA#)  2.7 0.9 1.0  !!0.172E+07 or 0.561E+07
!assign (resid 8 and name HN )  (resid 7 and name HN)   5.0 3.2 0.0  !!0.207E+07
assign (resid 8 and name HN )  (resid 7 and name HA)   2.7 0.9 0.0  !!0.110E+08
assign (resid 8 and name HN )  (resid 7 and name HB#)  3.5 1.7 1.0  !!0.511E+06 or 0.198E+07
assign (resid 8 and name HN )  (resid 7 and name HG#)  5.0 3.2 1.0  !!0.281E+06
assign (resid 8 and name HN )  (resid 7 and name HD#)  5.0 3.2 1.0  !!0.338E+06
assign (resid 8 and name HA#)  (resid 30 and name HB#) 3.5 1.7 2.0  !!0.576E+06 or 0.130E+07

!C9
assign (resid 9 and name HN )  (resid 9 and name HA )  3.5 1.7 0.0  !!0.184E+07 (d2o)
assign (resid 9 and name HN )  (resid 9 and name HB#)  5.0 3.2 1.0  !!0.138E+07/2? or 0.703E+06
assign (resid 9 and name HN )  (resid 8 and name HA#)  2.7 0.9 1.0  !!0.304E+07 or 0.844E+07/2
assign (resid 9 and name HN )  (resid 29 and name HB#) 5.0 3.2 1.0  !!0.271E+07/3? or 0.309E+06
assign (resid 9 and name HN )  (resid 30 and name HA)  3.5 1.7 0.0  !!0.338E+07
assign (resid 9 and name HA )  (resid 9 and name HB#)  2.7 0.9 1.0  !!0.464E+08 or 0.404E+08 (d2o)
assign (resid 9 and name HA )  (resid 3 and name HD#)  5.0 3.2 2.4  !!0.162E+08 (d2o)

!N10
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  !!0.185E+07 or 0.689E+07/2
assign (resid 10 and name HN ) (resid 14 and name HA)  5.0 3.2 0.0  !!0.300E+06
assign (resid 10 and name HN ) (resid 9  and name HB#) 3.5 1.7 1.0  !!0.689E+07/2
assign (resid 10 and name HN ) (resid 11 and name HD#) 5.0 3.2 1.0  !!0.420E+06
assign (resid 10 and name HD2#)(resid 10 and name HB#) 3.5 1.7 2.0  !!0.225E+07 or 0.286E+07
assign (resid 10 and name HD2#)(resid 13 and name HB#) 3.5 1.7 2.0  !!0.133E+07
assign (resid 10 and name HA ) (resid 10 and name HB#) 3.5 1.7 1.0  !!0.264E+07 or 0.444E+07
assign (resid 10 and name HA ) (resid 11 and name HD#) 2.7 0.9 1.0  !!0.680E+07 or 0.925E+07
assign (resid 10 and name HA ) (resid 11 and name HB#) 5.0 3.2 1.0  !!0.632E+06
assign (resid 10 and name HA ) (resid 29 and name HB#) 5.0 3.2 1.0  !!0.159E+07 (d2o)
assign (resid 10 and name HA ) (resid 29 and name HG#) 5.0 3.2 1.0  !!0.220E+07 (d2o)

!P11
assign (resid 11 and name HA ) (resid 11 and name HB#) 2.7 0.9 1.0  !!0.914E+07/2?
assign (resid 11 and name HA ) (resid 11 and name HG#) 3.5 1.7 1.0
assign (resid 11 and name HA ) (resid 14 and name HB#) 5.0 3.2 1.0  !!0.433E+07 (d2o)
assign (resid 11 and name HA ) (resid 24 and name HB#) 2.7 0.9 1.0  !!0.149E+07 or 0.789E+07
assign (resid 11 and name HB# )(resid 11 and name HD#) 3.5 1.7 2.0  !!0.461E+07/2
assign (resid 11 and name HD# )(resid 11 and name HG#) 3.5 1.7 2.0  !!0.109E+07 or 0.461E+07/2
assign (resid 11 and name HD# )(resid 29 and name HG#) 3.5 1.7 2.0  !!0.104E+07

!S12
assign (resid 12 and name HN ) (resid 12 and name HA)  3.5 1.7 0.0  !!0.163E+07
assign (resid 12 and name HN ) (resid 12 and name HB#) 3.5 1.7 1.0  !!0.647E+07/2
assign (resid 12 and name HN ) (resid 10 and name HA)  5.0 3.2 0.0  !!0.727E+06
assign (resid 12 and name HN ) (resid 11 and name HA)  5.0 3.2 0.0  !!
assign (resid 12 and name HN ) (resid 11 and name HB#) 3.5 1.7 1.0  !!0.210E+07/2
assign (resid 12 and name HN ) (resid 11 and name HG#) 3.5 1.7 1.0
assign (resid 12 and name HA ) (resid 12 and name HB#) 3.5 1.7 1.0  !!0.318E+07 or 0.149E+07


!N13
assign (resid 13 and name HN ) (resid 13 and name HA)  3.5 1.7 0.0  !!0.211E+07
assign (resid 13 and name HN ) (resid 13 and name HB#) 3.5 1.7 1.0  !!0.302E+07
!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  !!0.122E+07
assign (resid 13 and name HN ) (resid 11 and name HA)  5.0 3.2 0.0  !!0.141E+07/3?
assign (resid 13 and name HN ) (resid 12 and name HA)  5.0 3.2 0.0  !!0.928E+06
assign (resid 13 and name HN ) (resid 12 and name HB#) 5.0 3.2 1.0  !!0.141E+07/3?  
assign (resid 13 and name HN ) (resid 14 and name HA)  5.0 3.2 0.0  !!0.495E+06
assign (resid 13 and name HN ) (resid 14 and name HB#) 5.0 3.2 1.0  !!0.165E+06
assign (resid 13 and name HD2#)(resid 13 and name HB#) 3.5 1.7 2.0  !!0.334E+07
assign (resid 13 and name HN ) (resid 12 and name HN)  3.5 1.7 0.0  !!0.196E+07
assign (resid 13 and name HA ) (resid 13 and name HB#) 2.7 0.9 1.0  !!0.567E+07

!D14
assign (resid 14 and name HN ) (resid 14 and name HA)  3.5 1.7 0.0  !!0.175E+07
assign (resid 14 and name HN ) (resid 14 and name HB#) 2.7 0.9 1.0  !!0.667E+07 or 0.585E+07
assign (resid 14 and name HN ) (resid 11 and name HA)  5.0 3.2 0.0  !!0.352E+06
assign (resid 14 and name HN ) (resid 13 and name HA)  2.7 0.9 0.0  !!0.688E+07
assign (resid 14 and name HN ) (resid 13 and name HB#) 5.0 3.2 1.0  !!0.204E+06 
assign (resid 14 and name HN ) (resid 13 and name HN)  3.5 1.7 0.0  !!0.192E+07
assign (resid 14 and name HA ) (resid 14 and name HB#) 2.7 0.9 1.0  !!0.335E+07 or 0.633E+07
assign (resid 14 and name HA ) (resid 24 and name HB#) 5.0 3.2 1.0  !!0.491E+07 or 0.921E+06 (d2o)

!G15
assign (resid 15 and name HN ) (resid 15 and name HA)  3.5 1.7 0.0  !!0.844E+07/2?
assign (resid 15 and name HN ) (resid 15 and name HB#) 3.5 1.7 1.0  !!0.326E+07 or 0.163E+07
assign (resid 15 and name HN ) (resid 15 and name HG#) 5.0 3.2 1.0  !!0.271E+07/3?
assign (resid 15 and name HN ) (resid 14 and name HA)  2.7 0.9 0.0  !!0.933E+07
assign (resid 15 and name HN ) (resid 3  and name HD#) 5.0 3.2 2.4  !!0.500E+06/3
assign (resid 15 and name HE2#)(resid 15 and name HG#) 5.0 3.2 2.0  !!0.917E+06
assign (resid 15 and name HA ) (resid 15 and name HB#) 3.5 1.7 1.0  !!0.436E+07 or 0.184E+07
assign (resid 15 and name HA ) (resid 15 and name HG#) 3.5 1.7 1.0  !!0.567E+06 or 0.186E+07
assign (resid 15 and name HG#) (resid 15 and name HB#) 3.5 1.7 2.0  !!0.139E+07 

!C16
assign (resid 16 and name HN ) (resid 16 and name HA)  3.5 1.7 0.0  !!0.197E+07
assign (resid 16 and name HN ) (resid 16 and name HB#) 2.7 0.9 1.0  !!0.620E+07 or 0.137E+07
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 HD#) 5.0 3.2 2.4  !!0.220E+06
assign (resid 16 and name HN ) (resid 15 and name HA)  3.5 1.7 0.0  !!0.164E+07
assign (resid 16 and name HN ) (resid 15 and name HB#) 5.0 3.2 1.0  !!0.884E+06
assign (resid 16 and name HN ) (resid 15 and name HG#) 5.0 3.2 1.0  !!
assign (resid 16 and name HN ) (resid 14 and name HA)  5.0 3.2 0.0  !!0.955E+06
assign (resid 16 and name HN)  (resid 24 and name HB#) 5.0 3.2 1.0  !!0.636E+06
assign (resid 16 and name HN ) (resid 15 and name HN)  3.5 1.7 0.0  !!0.334E+07
assign (resid 16 and name HA ) (resid 16 and name HB#) 3.5 1.7 1.0  !!0.139E+07 or 0.269E+07
assign (resid 16 and name HA ) (resid 3  and name HB#) 3.5 1.7 1.0  !!0.260E+07 or 0.927E+07
!assign (resid 16 and name HA)  (resid 3 and name HD# ) 5.0 3.2 2.4  !!0.134E+07
assign (resid 16 and name HB#) (resid 22 and name HB#) 3.5 1.7 2.0  !!0.361E+07 or 0.451E+07
assign (resid 16 and name HB#) (resid 22 and name HD#) 5.0 3.2 2.0  !!0.496E+06 or 0.504E+06


!C17
assign (resid 17 and name HN ) (resid 17 and name HA)  3.5 1.7 0.0  !!0.230E+07
assign (resid 17 and name HN ) (resid 17 and name HB#) 3.5 1.7 1.0  !!0.287E+07 or 0.390E+07
assign (resid 17 and name HN ) (resid 16 and name HA)  2.7 0.9 0.0  !!0.768E+07
assign (resid 17 and name HN ) (resid 16 and name HB#) 3.5 1.7 1.0  !!0.178E+07 
assign (resid 17 and name HN)  (resid 2 and name HB#)  5.0 3.2 1.0  !!0.371E+06
assign (resid 17 and name HN)  (resid 3 and name HB#)  5.0 3.2 1.0  !!0.178E+07/2 or 0.393E+06
assign (resid 17 and name HN)  (resid 4 and name HA#)  5.0 3.2 1.0  !!0.276E+06
assign (resid 17 and name HN)  (resid 22 and name HD#) 5.0 3.2 2.4  !!0.186E+07/3
assign (resid 17 and name HN)  (resid 22 and name HB#) 5.0 3.2 1.0  !!0.178E+07/2
assign (resid 17 and name HN ) (resid 3  and name HN)  5.0 3.2 0.0  !!0.808E+06
assign (resid 17 and name HA ) (resid 17 and name HB#) 2.7 0.9 1.0  !!0.145E+08 or 0.195E+07 or 0.958E+07/2?
assign (resid 17 and name HA ) (resid 2  and name HB#) 3.5 1.7 1.0  !!0.229E+07 or 0.958E+07/2?
assign (resid 17 and name HB#) (resid 22 and name HD#) 5.0 3.2 3.4  !!0.180E+07

!k18
assign (resid 18 and name HN ) (resid 18 and name HA)  3.5 1.7 0.0  !!0.122E+08/2? 
assign (resid 18 and name HN ) (resid 18 and name HB#) 2.7 0.9 1.0  !!0.495E+07
assign (resid 18 and name HN ) (resid 18 and name HG#) 3.5 1.7 1.0  !!0.404E+07
assign (resid 18 and name HN ) (resid 17 and name HA ) 2.7 0.9 0.0  !!0.920E+07
assign (resid 18 and name HN ) (resid 17 and name HB#) 3.5 1.7 1.0  !!0.141E+07 or 290E+06
assign (resid 18 and name HN ) (resid 2  and name HB#) 5.0 3.2 1.0
assign (resid 18 and name HA ) (resid 18 and name HB#) 2.7 0.9 1.0  !!0.124E+08/2
assign (resid 18 and name HA ) (resid 18 and name HG#) 5.0 3.2 1.0
assign (resid 18 and name HA ) (resid 18 and name HD#) 5.0 3.2 1.0
assign (resid 18 and name HA ) (resid 18 and name HE#) 5.0 3.2 1.0
assign (resid 18 and name HD#) (resid 18 and name HE#) 3.5 1.7 2.0  !!0.187E+07?
assign (resid 18 and name HB#) (resid 18 and name HG#) 5.0 3.2 2.0  !!0.565E+06

!S19
assign (resid 19 and name HN ) (resid 19 and name HA)  3.5 1.7 0.0  !!0.419E+07?
assign (resid 19 and name HN ) (resid 19 and name HB#) 3.5 1.7 1.0  !!0.308E+07/2
assign (resid 19 and name HN ) (resid 17 and name HA)  5.0 3.2 0.0  !!0.628E+06
assign (resid 19 and name HN ) (resid 17 and name HB#) 5.0 3.2 1.0  !!0.639E+06 or 0.232E+06
assign (resid 19 and name HN ) (resid 18 and name HB#) 5.0 3.2 1.0  !!0.854E+06
assign (resid 19 and name HN ) (resid 18 and name HG#) 5.0 3.2 1.0 
assign (resid 19 and name HA ) (resid 19 and name HB#) 3.5 1.7 1.0  !!0.135E+07 or 0.320E+07

!S20
assign (resid 20 and name HN ) (resid 20 and name HB#) 3.5 1.7 1.0  !!0.183E+07 or 0.271E+07
assign (resid 20 and name HN ) (resid 17 and name HB#) 3.5 1.7 1.0  !!0.141E+07 or 0.953E+06
!assign (resid 20 and name HN ) (resid 18 and name HA)  5.0 3.2 0.0
assign (resid 20 and name HN ) (resid 22 and name HG)  5.0 3.2 0.0  !!0.507E+06
assign (resid 20 and name HN ) (resid 19 and name HN)  3.5 1.7 0.0  !!0.248E+07
!assign (resid 20 and name HB#) (resid 22 and name HB#) 3.5 1.7 2.0  !!0.344E+07/2?
assign (resid 20 and name HB#) (resid 22 and name HG)  3.5 1.7 1.0  !!0.102E+07 or 0.295E+07?
assign (resid 20 and name HB#) (resid 22 and name HD#) 5.0 3.2 3.4  !!0.777E+06 or 0.194E+07
assign (resid 20 and name HB#) (resid 17 and name HB#) 5.0 3.2 2.0  !!0.676E+06


!N21
assign (resid 21 and name HN ) (resid 21 and name HA)  2.7 0.9 0.0  !!0.124E+08
assign (resid 21 and name HN ) (resid 21 and name HB#) 5.0 3.2 1.0  !!0.513E+06 or 0.178E+06
assign (resid 21 and name HN ) (resid 20 and name HB#) 5.0 3.2 1.0  !!0.316E+06
assign (resid 21 and name HN ) (resid 20 and name HN)  2.7 0.9 0.0  !!0.484E+07
assign (resid 21 and name HN ) (resid 22 and name HN)  3.5 1.7 0.0  !!0.229E+07
assign (resid 21 and name HD2#)(resid 21 and name HB#) 5.0 3.2 2.0  !!0.692E+06
assign (resid 21 and name HA ) (resid 21 and name HB#) 2.7 0.9 1.0  !!0.508E+07? or 0.217E+07

!L22
assign (resid 22 and name HN ) (resid 22 and name HA)  3.5 1.7 0.0  !!0.201E+07 
assign (resid 22 and name HN ) (resid 22 and name HB#) 2.7 0.9 1.0  !!0.500E+07 or 0.126E+07 
assign (resid 22 and name HN ) (resid 22 and name HG)  3.5 1.7 0.0  !!0.368E+07
assign (resid 22 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.481E+06 or 0.745E+06
assign (resid 22 and name HN ) (resid 18 and name HA)  3.5 1.7 0.0  !!0.556E+07/2
assign (resid 22 and name HN ) (resid 21 and name HA)  3.5 1.7 0.0  !!0.556E+07/2
assign (resid 22 and name HA ) (resid 22 and name HB#) 2.7 0.9 1.0  !!0.433E+07 or 0.212E+07 or 0.527E+07
assign (resid 22 and name HA ) (resid 22 and name HG ) 3.5 1.7 0.0  !!0.436E+07 or 0.174E+07
assign (resid 22 and name HA ) (resid 22 and name HD#) 3.5 1.7 2.4  !!0.538E+07/3
assign (resid 22 and name HG ) (resid 22 and name HB#) 3.5 1.7 1.0  !!0.147E+07 
assign (resid 22 and name HG ) (resid 22 and name HD#) 3.5 1.7 2.4  !!0.586E+07/3 or 0.206E+07
assign (resid 22 and name HB#) (resid 22 and name HD#) 5.0 3.2 3.4  !!0.176E+07


!V23
assign (resid 23 and name HN ) (resid 23 and name HA)  3.5 1.7 0.0  !!0.172E+07
assign (resid 23 and name HN ) (resid 23 and name HB)  5.0 3.2 0.0  !!0.168E+07?
assign (resid 23 and name HN ) (resid 23 and name HG#) 5.0 3.2 2.4  !!0.464E+07/6
assign (resid 23 and name HN ) (resid 22 and name HA)  2.7 0.9 0.0  !!0.115E+08?/2
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  !!0.519E+06
assign (resid 23 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.131E+07/3
assign (resid 23 and name HN)  (resid 16 and name HB#) 5.0 3.2 1.0  !!0.831E+06 or 0.200E+07 (d2o)
assign (resid 23 and name HN)  (resid 31 and name HB#) 5.0 3.2 1.0  !!0.186E+07 (d2o)
assign (resid 23 and name HN ) (resid 32 and name HG#) 5.0 3.2 1.0 
assign (resid 23 and name HA)  (resid 23 and name HB)  2.7 0.9 0.0  !!0.124E+08/2
assign (resid 23 and name HA)  (resid 23 and name HG#) 5.0 3.2 2.4
assign (resid 23 and name HA)  (resid 16 and name HB#) 3.5 1.7 1.0  !!0.282E+07

!C24
assign (resid 24 and name HN ) (resid 24 and name HA)  5.0 3.2 0.0  !!0.814E+06
assign (resid 24 and name HN ) (resid 24 and name HB#) 3.5 1.7 1.0  !!0.427E+07 or 0.442E+07
assign (resid 24 and name HN ) (resid 11 and name HA)  5.0 3.2 0.0  !!0.307E+06
assign (resid 24 and name HN ) (resid 16 and name HB#) 5.0 3.2 1.0  !!0.403E+06
assign (resid 24 and name HN ) (resid 23 and name HA)  2.7 0.9 0.0  !!0.867E+07
assign (resid 24 and name HN ) (resid 23 and name HB)  3.5 1.7 0.0  !!0.156E+07
assign (resid 24 and name HN ) (resid 23 and name HG#) 5.0 3.2 2.4  !!0.170E+07 /6
assign (resid 24 and name HA ) (resid 24 and name HB#) 3.5 1.7 1.0  !!0.455E+07 or 0.303E+07
assign (resid 24 and name HA ) (resid 31 and name HA)  3.5 1.7 0.0  !!0.152E+06 or 0.190E+08 (d2o)

!S25
assign (resid 25 and name HN ) (resid 25 and name HA)  3.5 1.7 0.0  !!0.132E+08/2?
assign (resid 25 and name HN ) (resid 25 and name HB#) 3.5 1.7 1.0  !!0.263E+07 or 0.100E+08/2?
assign (resid 25 and name HN ) (resid 24 and name HA)  2.7 0.9 0.0  !!0.701E+07
assign (resid 25 and name HN ) (resid 24 and name HB#) 5.0 3.2 1.0  !!0.403E+06 or 0.384E+06
assign (resid 25 and name HN ) (resid 31 and name HA)  5.0 3.2 0.0  !!0.284E+06
!assign (resid 25 and name HN ) (resid 32 and name HG#) 5.0 3.2 1.0
assign (resid 25 and name HN ) (resid 30 and name HN)  3.5 1.7 0.0  !!0.126E+07
assign (resid 25 and name HA ) (resid 25 and name HB#) 5.0 3.2 1.0  !!0.529E+06 or 0.538E+06
assign (resid 25 and name HB#) (resid 32 and name HB#) 5.0 3.2 2.0
assign (resid 25 and name HB#) (resid 32 and name HG#) 3.5 1.7 2.0  !!0.155E+07 or 0.544E+06
assign (resid 25 and name HB#) (resid 32 and name HD#) 3.5 1.7 2.0  !!0.169E+07
assign (resid 25 and name HB#) (resid 28 and name HB#) 5.0 3.2 2.0  !!0.173E+07/2

!R26
assign (resid 26 and name HN ) (resid 26 and name HA)  3.5 1.7 0.0  !!0.254E+07
assign (resid 26 and name HN ) (resid 26 and name HB#) 2.7 0.9 1.0  !!0.666E+07 
assign (resid 26 and name HN ) (resid 26 and name HG#) 5.0 3.2 1.0  !!0.186E+06 
assign (resid 26 and name HN ) (resid 25 and name HA ) 2.7 0.9 0.0  !!0.122E+08/2?
assign (resid 26 and name HN ) (resid 25 and name HB#) 5.0 3.2 1.0  !!
assign (resid 26 and name HA ) (resid 26 and name HB#) 2.7 0.9 1.0  !!0.126E+08/2?
assign (resid 26 and name HA ) (resid 26 and name HG#) 5.0 3.2 1.0  !!0.130E+06
assign (resid 26 and name HD#) (resid 26 and name HB#) 3.5 1.7 2.0  !!0.332E+07/2?
assign (resid 26 and name HD#) (resid 26 and name HG#) 3.5 1.7 2.0  !!0.137E+07 or 0.332E+07/2?

!A27
assign (resid 27 and name HN ) (resid 27 and name HA)  3.5 1.7 0.0  !!0.284E+07
assign (resid 27 and name HN ) (resid 27 and name HB#) 3.5 1.7 1.0  !!0.464E+07/3
assign (resid 27 and name HN ) (resid 26 and name HA)  5.0 3.2 0.0  !!0.358E+06
assign (resid 27 and name HN ) (resid 26 and name HB#) 3.5 1.7 1.0  !!0.209E+07
assign (resid 27 and name HN ) (resid 26 and name HG#) 5.0 3.2 1.0  !!0.208E+06
assign (resid 27 and name HN ) (resid 25 and name HA)  5.0 3.2 0.0  !!0.119E+06
assign (resid 27 and name HN ) (resid 26 and name HN)  3.5 1.7 0.0  !!0.257E+07
assign (resid 27 and name HN ) (resid 28 and name HN)  3.5 1.7 0.0  !!0.158E+07
assign (resid 27 and name HA ) (resid 27 and name HB#) 3.5 1.7 1.0  !!0.816E+07/3

!H28
assign (resid 28 and name HN ) (resid 28 and name HA)  3.5 1.7 0.0  !!0.105E+07
assign (resid 28 and name HN ) (resid 28 and name HB#) 3.5 1.7 1.0  !!0.323E+07/2
assign (resid 28 and name HN ) (resid 27 and name HA)  3.5 1.7 0.0  !!0.126E+07
assign (resid 28 and name HN ) (resid 27 and name HB#) 5.0 3.2 1.0  !!0.165E+07/3
assign (resid 28 and name HN ) (resid 29 and name HA)  5.0 3.2 0.0  !!0.157E+07/2
assign (resid 28 and name HN ) (resid 25 and name HB#) 5.0 3.2 1.0  !!0.157E+07/2
assign (resid 28 and name HD2) (resid 28 and name HA ) 5.0 3.2 0.0 
assign (resid 28 and name HD2) (resid 28 and name HB#) 3.5 1.7 1.0  !!0.355E+07/2
!assign (resid 28 and name HD2) (resid 25 and name HB#) 5.0 3.2 1.0  !!0.344E+06 
assign (resid 28 and name HD2) (resid 27 and name HB#) 5.0 3.2 1.0  !!0.220E+06/3
!assign (resid 28 and name HD2) (resid 32 and name HB#) 5.0 3.2 1.0
!assign (resid 28 and name HD2) (resid 32 and name HG#) 5.0 3.2 1.0
assign (resid 28 and name HE1) (resid 28 and name HD2) 5.0 3.2 0.0  !!0.366E+06
assign (resid 28 and name HN ) (resid 29 and name HN)  3.5 1.7 0.0  !!0.303E+07
assign (resid 28 and name HA ) (resid 28 and name HB#) 3.5 1.7 1.0  !!0.861E+07/3?

!R29
assign (resid 29 and name HN ) (resid 29 and name HA)  2.7 0.9 0.0  !!0.111E+08
assign (resid 29 and name HN ) (resid 29 and name HB#) 3.5 1.7 1.0  !!0.128E+07 or 0.146E+07
assign (resid 29 and name HN ) (resid 29 and name HG#) 3.5 1.7 1.0  !!0.208E+07 or 0.121E+07
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 1.0  !!0.102E+07/2
assign (resid 29 and name HN ) (resid 25 and name HB#) 5.0 3.2 1.0  !!
assign (resid 29 and name HH#) (resid 29 and name HB#) 5.0 3.2 2.0  !!0.447E+06
assign (resid 29 and name HH#) (resid 29 and name HD#) 3.5 1.7 2.0  !!0.227E+07
assign (resid 29 and name HN ) (resid 30 and name HN)  3.5 1.7 0.0  !!0.175E+07
assign (resid 29 and name HA ) (resid 29 and name HB#) 2.7 0.9 1.0  !!0.635E+07 or 0.940E+07/3?
assign (resid 29 and name HA ) (resid 29 and name HG#) 3.5 1.7 1.0  !!0.181E+07 or 0.615E+07/2
assign (resid 29 and name HA ) (resid 29 and name HD#) 5.0 3.2 1.0  !!0.577E+06
assign (resid 29 and name HD#) (resid 29 and name HB#) 3.5 1.7 2.0  !!0.154E+07 or 0.202E+07
assign (resid 29 and name HD#) (resid 29 and name HG#) 3.5 1.7 2.0  !!0.360E+07 or 0.198E+07
assign (resid 29 and name HB#) (resid 29 and name HG#) 3.5 1.7 2.0  !!0.171E+07 or 0.281E+07


!W30
assign (resid 30 and name HN ) (resid 30 and name HA)  3.5 1.7 0.0  !!0.196E+07
!assign (resid 30 and name HN ) (resid 25 and name HA ) 5.0 3.2 0.0  !!0.275E+07
assign (resid 30 and name HN ) (resid 25 and name HB#) 3.5 1.7 1.0  !!0.885E+06/2 or 0.597E+07/2?
!assign (resid 30 and name HN ) (resid 27 and name HB#) 5.0 3.2 1.0  !!0.312E+07/3
!assign (resid 30 and name HN ) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.106E+08/2
assign (resid 30 and name HN ) (resid 29 and name HA ) 3.5 1.7 0.0  !!0.597E+07/2? 
!assign (resid 30 and name HZ2) (resid 32 and name HA ) 5.0 4.2 0.0
!assign (resid 30 and name HZ2) (resid 32 and name HB#) 5.0 4.2 1.0  !!0.891E+06 or 0.850E+07 (d2o)
!assign (resid 30 and name HZ2) (resid 32 and name HG#) 5.0 4.2 1.0  !!0.322E+07 (d2o)
assign (resid 30 and name HD1) (resid 30 and name HA ) 5.0 3.2 0.0  !!0.507E+07(d2o)
assign (resid 30 and name HD1) (resid 30 and name HB#) 3.5 1.7 1.0  !!0.148E+07 or 0.211E+07
assign (resid 30 and name HD1) (resid 8  and name HA#) 5.0 3.2 1.0  !!0.612E+06 
assign (resid 30 and name HD1) (resid 25 and name HB#) 5.0 3.2 1.0  !!0.885E+06/2
assign (resid 30 and name HD1) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.174E+07/2
assign (resid 30 and name HD1) (resid 32 and name HB#) 5.0 3.2 1.0  !!0.891E+06 or 0.261E+06 or 0.104E+08 (d2o)
assign (resid 30 and name HD1) (resid 32 and name HG#) 5.0 3.2 1.0  !!0.550E+07
assign (resid 30 and name HE1) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.140E+07/2
assign (resid 30 and name HE1) (resid 30 and name HZ2) 3.5 1.7 0.0  !!0.255E+07
assign (resid 30 and name HE1) (resid 30 and name HD1) 2.7 0.9 0.0  !!0.606E+07
assign (resid 30 and name HE1) (resid 32 and name HB#) 5.0 3.2 1.0  !!0.141E+06 or 0.248E+06
assign (resid 30 and name HE1) (resid 32 and name HG#) 5.0 3.2 1.0  !!
assign (resid 30 and name HE3) (resid 30 and name HA ) 5.0 3.2 0.0  !!0.135E+07 (d2o)
assign (resid 30 and name HE3) (resid 30 and name HB#) 3.5 1.7 1.0  !!0.302E+07 or 0.180E+07
assign (resid 30 and name HE3) (resid 6  and name HA#) 5.0 3.2 1.0  !!0.280E+06 or 0.812E+06
assign (resid 30 and name HE3) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.692E+06/2
!assign (resid 30 and name HE3) (resid 32 and name HA ) 5.0 3.2 0.0  !!0.134E+07 (d2o)
!assign (resid 30 and name HE3) (resid 32 and name HB#) 5.0 3.2 1.0  !!0.400E+06
assign (resid 30 and name HZ3) (resid 32 and name HA ) 5.0 3.2 0.0  !!
assign (resid 30 and name HZ3) (resid 32 and name HB#) 5.0 3.2 1.0  !!
assign (resid 30 and name HA ) (resid 30 and name HB#) 2.7 0.9 1.0  !!0.767E+07 or 0.658E+07
assign (resid 30 and name HA ) (resid 8  and name HA#) 3.5 1.7 1.0  !!0.422E+07 or 0.143E+07

!C31
assign (resid 31 and name HN ) (resid 31 and name HA)  5.0 3.2 0.0  !!0.762E+06
assign (resid 31 and name HN ) (resid 31 and name HB#) 3.5 1.7 1.0  !!0.513E+07/2 or 0.527E+07/2?
assign (resid 31 and name HN ) (resid 30 and name HA)  2.7 0.9 0.0  !!0.819E+07
assign (resid 31 and name HN ) (resid 30 and name HB#) 3.5 1.7 1.0  !!0.513E+07/2?
assign (resid 31 and name HN ) (resid 30 and name HD1) 5.0 3.2 0.0  !!0.178E+07/2?
!assign (resid 31 and name HN)  (resid 5  and name HA ) 5.0 3.2 0.0  !!
!assign (resid 31 and name HN)  (resid 6  and name HA#) 5.0 3.2 1.0
assign (resid 31 and name HB#) (resid 22 and name HB#) 3.5 1.7 2.0  !!0.115E+07 or 0.345E+07
assign (resid 31 and name HB#) (resid 22 and name HD#) 5.0 3.2 2.0  !!0.133E+07 or 0.189E+07
assign (resid 31 and name HA ) (resid 31 and name HB#) 2.7 0.9 1.0  !!0.128E+07

!K32
assign (resid 32 and name HN ) (resid 32 and name HA)  5.0 3.2 0.0  !!0.439E+06(d2o)
assign (resid 32 and name HN ) (resid 32 and name HB#) 5.0 3.2 1.0  !!0.558E+06 or 0.462E+06
assign (resid 32 and name HN ) (resid 32 and name HG#) 3.5 1.7 1.0  !!0.172E+07? or 0.764E+06
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)  3.5 1.7 0.0  !!0.358E+07
assign (resid 32 and name HN ) (resid 31 and name HB#) 5.0 3.2 1.0  !!0.104E+07 or 0.764E+06
assign (resid 32 and name HN)  (resid 22 and name HA)  5.0 3.2 0.0  !!0.314E+06
assign (resid 32 and name HN)  (resid 22 and name HD#) 5.0 3.2 2.4 
assign (resid 32 and name HN)  (resid 23 and name HG#) 5.0 3.2 2.4
assign (resid 32 and name HN)  (resid 24 and name HA)  5.0 3.2 0.0  !!0.111E+07
assign (resid 32 and name HN ) (resid 23 and name HN)  3.5 1.7 0.0  !!0.161E+07
assign (resid 32 and name HN ) (resid 25 and name HN)  5.0 3.2 0.0  !!0.575E+06
!assign (resid 32 and name HN ) (resid 22 and name HG)  5.0 3.2 0.0  !!0.221E+07(d2o)
assign (resid 32 and name HA ) (resid 32 and name HB#) 3.5 1.7 1.0  !!0.252E+08 or 0.211E+08 (d2o)
assign (resid 32 and name HA ) (resid 32 and name HG#) 5.0 3.2 1.0  !!0.295E+07 or 0.290E+07 (d2o)
assign (resid 32 and name HA ) (resid 5  and name HA ) 5.0 3.2 0.0  !!0.124E+07 (d2o)
assign (resid 32 and name HA ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.643E+08 (d2o)
assign (resid 32 and name HE#) (resid 32 and name HG#) 5.0 3.2 2.0  !!0.404E+06 or 0.601E+06

!Y33
assign (resid 33 and name HN ) (resid 33 and name HA)  3.5 1.7 0.0  !!0.181E+07
assign (resid 33 and name HN ) (resid 33 and name HB#) 2.7 0.9 1.0  !!0.221E+07 or 0.480E+07
assign (resid 33 and name HN ) (resid 32 and name HA)  5.0 3.2 0.0
assign (resid 33 and name HN ) (resid 32 and name HB#) 3.5 1.7 1.0  !!0.327E+07 or 0.134E+07
assign (resid 33 and name HN ) (resid 32 and name HG#) 5.0 3.2 1.0  !!0.696E+06 or 0.324E+06
assign (resid 33 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.968E+06
assign (resid 33 and name HD#) (resid 33 and name HA ) 3.5 1.7 2.4  !!0.490E+07
assign (resid 33 and name HD# )(resid 33 and name HB#) 3.5 1.7 3.4  !!0.620E+07 or 0.696E+07
assign (resid 33 and name HD# )(resid 22 and name HG ) 5.0 3.2 2.4  !!0.476E+07 (d2o)
assign (resid 33 and name HD# )(resid 22 and name HD#) 5.0 3.2 4.8  !!0.225E+07
assign (resid 33 and name HE# )(resid 33 and name HA ) 5.0 3.2 2.4  !!0.285E+07 (d2o)
assign (resid 33 and name HE# )(resid 33 and name HB#) 5.0 3.2 3.4  !!0.377E+06 or 0.706E+06
assign (resid 33 and name HE# )(resid 20 and name HB#) 5.0 3.2 3.4  !!0.649E+07 or 0.980E+06
assign (resid 33 and name HE# )(resid 21 and name HB#) 5.0 3.2 3.4  !!0.407E+06 or 0.530E+06
assign (resid 33 and name HE# )(resid 22 and name HG ) 5.0 3.2 2.4  !!0.108E+07
assign (resid 33 and name HE# )(resid 22 and name HD#) 5.0 3.2 4.8  !!0.314E+06 or 0.159E+07
assign (resid 33 and name HE# )(resid 33 and name HD#) 2.7 0.9 4.8
assign (resid 33 and name HN ) (resid 33 and name HD#) 5.0 3.2 2.4  !!0.111E+07
assign (resid 33 and name HN ) (resid 5  and name HD#) 5.0 3.2 2.4  !!0.123E+06
assign (resid 33 and name HN ) (resid 5  and name HE#) 5.0 3.2 2.4  !!0.795E+06
assign (resid 33 and name HA ) (resid 33 and name HB#) 2.7 0.9 1.0  !!0.531E+07 or 0.269E+07

!E34
assign (resid 34 and name HN ) (resid 34 and name HA)  3.5 1.7 0.0   !!0.366E+07/2 
assign (resid 34 and name HN ) (resid 34 and name HG#) 5.0 3.2 1.0  !!0.814E+06
assign (resid 34 and name HN ) (resid 34 and name HB#) 3.5 1.7 1.0  !!0.114E+07 or 0.527E+07/2?
assign (resid 34 and name HN ) (resid 22 and name HA ) 5.0 3.2 0.0  !!0.584E+06
assign (resid 34 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.342E+06
assign (resid 34 and name HN ) (resid 33 and name HB#) 5.0 3.2 1.0  !!0.586E+06
assign (resid 34 and name HN ) (resid 33 and name HA ) 2.7 0.9 0.0  !!0.186E+08/3?
assign (resid 34 and name HN ) (resid 33 and name HD#) 5.0 3.2 2.4  !!0.914E+06
assign (resid 34 and name HA ) (resid 34 and name HB#) 3.5 1.7 1.0  !!0.293E+07 or 0.708E+07/2?
assign (resid 34 and name HA ) (resid 34 and name HG#) 3.5 1.7 1.0  !!0.150E+07
assign (resid 34 and name HA ) (resid 23 and name HG#) 5.0 3.2 2.4  !!0.390E+07 (d2o)
assign (resid 34 and name HG#) (resid 34 and name HB#) 3.5 1.7 2.0  !!0.152E+07
assign (resid 34 and name HG#) (resid 23 and name HG#) 5.0 3.2 3.4  !!0.734E+06

!I35
assign (resid 35 and name HN ) (resid 35 and name HA)  5.0 3.2 0.0  !!0.526E+06
assign (resid 35 and name HN ) (resid 35 and name HB)  3.5 1.7 0.0  !!0.213E+07
assign (resid 35 and name HN ) (resid 34 and name HA)  2.7 0.9 0.0  !!0.669E+07
assign (resid 35 and name HN ) (resid 34 and name HB#) 5.0 3.2 1.0  !!0.751E+06
assign (resid 35 and name HN ) (resid 34 and name HG#) 5.0 3.2 1.0
assign (resid 35 and name HN ) (resid 35 and name HG1#)5.0 3.2 1.0 
assign (resid 35 and name HA ) (resid 35 and name HB)  5.0 3.2 0.0
assign (resid 35 and name HA ) (resid 35 and name HG1#)5.0 3.2 1.0 
assign (resid 35 and name HA ) (resid 35 and name HG2#)5.0 3.2 1.0



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