NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
12104 |
1sjr   |
6177 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
!Ambiguous restraints below
assign (resid 43 and name HA )
((resid 44 and name HN ) or (resid 43 and name HN )) 2.83875 0.938749 0.00 ! 1.01646 C
assign (resid 46 and name HG2+ )
((resid 124 and name HB ) or (resid 124 and name HA )) 3.88394 1.98394 0.00 ! 0.47008 C STEREO 46
assign (resid 48 and name HA )
((resid 48 and name HN ) or (resid 87 and name HN )) 3.7715 1.8715 0.00 ! 0.50531 C
assign (resid 49 and name HN )
((resid 88 and name HB+ ) or (resid 49 and name HG1+ )) 4.35373 2.45373 0.00 ! 1.10478 N
assign (resid 50 and name HN )
((resid 50 and name HG2+ ) or (resid 116 and name HD++ )) 4.04309 2.14309 0.00 ! 1.42516 N
assign (resid 53 and name HD2+ )
((resid 53 and name HN ) or (resid 52 and name HN )) 5.50 3.60 0.00 ! 0.37291 N
assign (resid 58 and name HA )
((resid 62 and name HB ) or (resid 57 and name HB+ )) 5.50 3.60 0.00 ! 0.24218 C
assign (resid 60 and name HN )
((resid 60 and name HG ) or (resid 60 and name HB1 )) 3.05247 1.15247 0.00 ! 3.74765 N STEREO 60
assign (resid 61 and name HN )
((resid 60 and name HB1 ) or (resid 60 and name HG )) 3.40536 1.50536 0.00 ! 2.57229 N STEREO 60
assign (resid 63 and name HN )
((resid 63 and name HB+ ) or (resid 62 and name HB )) 3.12021 1.22021 0.00 ! 3.47508 N
assign (resid 64 and name HA )
((resid 67 and name HN ) or (resid 68 and name HN )) 5.50 3.60 0.00 ! 0.21850 C
assign (resid 65 and name HN )
((resid 66 and name HB ) or (resid 66 and name HG1+ )) 5.24131 3.34131 0.00 ! 0.58356 N
assign (resid 66 and name HG2+ )
((resid 66 and name HN ) or (resid 67 and name HD+ )) 3.70715 1.80715 0.00 ! 0.52716 C
assign (resid 66 and name HG2+ )
((resid 67 and name HN ) or (resid 68 and name HN )) 3.92335 2.02335 0.00 ! 0.45855 C
assign ((resid 66 and name HN ) or (resid 101 and name HN ))
(resid 104 and name HD++ ) 5.3014 3.4014 0.00 ! 0.56112 N
assign ((resid 66 and name HN ) or (resid 101 and name HN ))
((resid 65 and name HN ) or (resid 100 and name HN )) 2.73269 0.832687 0.00 ! 5.48391
assign (resid 66 and name HN )
((resid 64 and name HA ) or (resid 66 and name HA )) 3.30804 1.40804 0.00 ! 2.84207 N
assign (resid 67 and name HA )
((resid 67 and name HN ) or (resid 68 and name HN )) 3.4177 1.5177 0.00 ! 0.64387 C
assign (resid 67 and name HN )
((resid 64 and name HA ) or (resid 66 and name HA )) 4.56041 2.66041 0.00 ! 0.94186 N
assign (resid 67 and name HN )
((resid 66 and name HD1+ ) or (resid 63 and name HD++ )) 5.27804 3.37804 0.00 ! 0.56971 N
assign (resid 67 and name HN )
((resid 66 and name HG1+ ) or (resid 66 and name HB )) 3.59693 1.69693 0.00 ! 2.13086 N
assign (resid 71 and name HN )
((resid 70 and name HB2 ) or (resid 67 and name HB2 )) 3.97814 2.07814 0.00 ! 1.50682 N STEREO 67 70
assign (resid 72 and name HN )
((resid 71 and name HA+ ) or (resid 72 and name HA )) 3.50552 1.60552 0.00 ! 2.32814 N
assign (resid 72 and name HN )
((resid 72 and name HB ) or (resid 71 and name HA+ )) 3.34249 1.44249 0.00 ! 2.74256 N
assign (resid 73 and name HN )
((resid 72 and name HB ) or (resid 71 and name HA+ )) 3.74776 1.84776 0.00 ! 1.85006 N
assign (resid 75 and name HN )
((resid 74 and name HD++ ) or (resid 76 and name HG1+ )) 4.32358 2.42358 0.00 ! 1.13151 N WAS 76HD
assign (resid 75 and name HN )
((resid 126 and name HD++ ) or (resid 74 and name HD++ )) 4.31755 2.41755 0.00 ! 1.13695 N WAS 76HG2+
assign (resid 75 and name HN )
((resid 90 and name HN ) or (resid 76 and name HN )) 3.43946 1.53946 0.00 ! 2.48561 N
assign (resid 76 and name HA )
((resid 90 and name HN ) or (resid 76 and name HN )) 4.19089 2.29089 0.00 ! 0.38986 C
assign (resid 76 and name HN )
((resid 137 and name HA ) or (resid 76 and name HA )) 3.66767 1.76767 0.00 ! 1.99277 N
assign (resid 77 and name HG2+ )
((resid 78 and name HA ) or (resid 135 and name HA )) 4.73096 2.83096 0.00 ! 0.28934 C
assign (resid 79 and name HA )
((resid 79 and name HN ) or (resid 80 and name HN )) 3.64379 1.74379 0.00 ! 0.55000 C
assign (resid 79 and name HN )
((resid 87 and name HB+ ) or (resid 86 and name HB2 )) 5.50 3.60 0.00 ! 0.00000 N STEREO 86
assign (resid 80 and name HG2+ )
((resid 81 and name HN ) or (resid 80 and name HN )) 3.40897 1.50897 0.00 ! 0.64793 C
assign (resid 85 and name HN )
((resid 84 and name HB+ ) or (resid 51 and name HB )) 3.72685 1.82685 0.00 ! 1.88601 N
assign (resid 86 and name HN )
((resid 85 and name HN ) or (resid 87 and name HN )) 4.66098 2.76098 0.00 ! 0.87377 N
assign (resid 87 and name HA )
((resid 88 and name HN ) or (resid 87 and name HN )) 2.50 0.60 0.00 ! 1.46365 C
assign (resid 87 and name HN )
((resid 49 and name HB ) or (resid 50 and name HG1+ )) 3.45125 1.55125 0.00 ! 2.45652 N
assign (resid 87 and name HN )
((resid 87 and name HA ) or (resid 86 and name HA )) 2.57348 0.673482 0.00 ! 6.74166 N
assign (resid 89 and name HD++ )
((resid 90 and name HN ) or (resid 91 and name HN )) 3.82494 1.92494 0.00 ! 0.48812 C
assign (resid 89 and name HN )
((resid 88 and name HB+ ) or (resid 89 and name HG )) 3.99846 2.09846 0.00 ! 1.48064 N
assign (resid 90 and name HN )
((resid 89 and name HG ) or (resid 126 and name HB+ )) 3.94961 2.04961 0.00 ! 1.54459 N
assign (resid 90 and name HN )
((resid 90 and name HB+ ) or (resid 75 and name HB+ )) 3.3267 1.4267 0.00 ! 2.78760 N
assign (resid 92 and name HA )
((resid 91 and name HA ) or (resid 93 and name HA )) 5.50 3.60 0.00 ! 0.00000 C
assign (resid 92 and name HB+ )
((resid 91 and name HA ) or (resid 93 and name HA )) 4.40197 2.50197 0.00 ! 0.34547 C
assign (resid 93 and name HN )
((resid 91 and name HA ) or (resid 93 and name HA )) 3.51111 1.61111 0.00 ! 2.31542 N
assign (resid 93 and name HN )
((resid 91 and name HB+ ) or (resid 93 and name HB+ )) 3.23851 1.33851 0.00 ! 3.05755 N
assign (resid 93 and name HN )
((resid 96 and name HB+ ) or (resid 91 and name HB+ )) 3.16222 1.26222 0.00 ! 3.31884 N
assign (resid 95 and name HA )
((resid 98 and name HN ) or (resid 96 and name HN )) 3.70493 1.80493 0.00 ! 0.52794 C
assign (resid 95 and name HN )
((resid 94 and name HD+ ) or (resid 94 and name HA )) 3.49757 1.59757 0.00 ! 2.34640 N
assign (resid 95 and name HN )
((resid 96 and name HN ) or (resid 98 and name HN )) 2.68254 0.782542 0.00 ! 5.84466 N
assign (resid 96 and name HA )
((resid 96 and name HB+ ) or (resid 99 and name HB+ )) 2.87125 0.971249 0.00 ! 0.98839 C
assign (resid 96 and name HA )
((resid 98 and name HN ) or (resid 96 and name HN )) 3.6706 1.7706 0.00 ! 0.54017 C
assign ((resid 96 and name HN ) or (resid 98 and name HN ))
(resid 95 and name HA ) 3.21462 1.31462 0.00 ! 3.13640 N
assign ((resid 96 and name HN ) or (resid 98 and name HN ))
(resid 95 and name HN ) 2.75862 0.858619 0.00 ! 5.30860 N
assign (resid 97 and name HB+ )
((resid 97 and name HN ) or (resid 91 and name HE+ )) 2.50 0.60 0.00 ! 1.71016 C
assign (resid 97 and name HB+ )
((resid 98 and name HA ) or (resid 94 and name HA )) 2.798 0.898004 0.00 ! 1.05326 C
assign (resid 97 and name HN )
((resid 96 and name HB+ ) or (resid 91 and name HB+ )) 4.08109 2.18109 0.00 ! 1.38003 N
assign (resid 97 and name HN )
((resid 96 and name HN ) or (resid 98 and name HN )) 2.50 0.60 0.00 ! 11.38513 N
assign ((resid 98 and name HN ) or (resid 96 and name HN ))
(resid 97 and name HB+ ) 2.67992 0.779921 0.00 ! 5.86435 N
assign ((resid 98 and name HN ) or (resid 96 and name HN ))
(resid 97 and name HN ) 2.50 0.60 0.00 ! 8.83569 N
assign ((resid 98 and name HN ) or (resid 96 and name HN ))
(resid 99 and name HD2 ) 5.40195 3.50195 0.00 ! 0.52600 N
assign (resid 98 and name HE2+ )
((resid 102 and name HD++ ) or (resid 101 and name HD+ )) 3.90935 2.00935 0.00 ! 1.6 N
assign (resid 99 and name HN )
((resid 97 and name HA ) or (resid 96 and name HA )) 4.46741 2.56741 0.00 ! 1.01104 N
assign (resid 100 and name HA )
((resid 101 and name HN ) or (resid 104 and name HN )) 5.50 3.60 0.00 ! 0.24588 C
assign (resid 100 and name HN )
((resid 102 and name HD++ ) or (resid 101 and name HD+ )) 5.09573 3.19573 0.00 ! 0.64294 N
assign (resid 101 and name HA )
((resid 101 and name HN ) or (resid 104 and name HN )) 3.45575 1.55575 0.00 ! 0.62657 C
assign (resid 104 and name HA )
((resid 107 and name HG+ ) or (resid 107 and name HB+ )) 3.45736 1.55736 0.00 ! 0.62585 C
assign (resid 104 and name HD++ )
((resid 107 and name HB+ ) or (resid 107 and name HG+ )) 3.64443 1.74443 0.00 ! 0.54976 C
assign (resid 104 and name HN )
((resid 102 and name HD++ ) or (resid 118 and name HD1+ )) 4.13226 2.23226 0.00 ! 1.32213 N
assign (resid 104 and name HN )
((resid 107 and name HG+ ) or (resid 100 and name HA )) 4.52791 2.62791 0.00 ! 0.96532 N
assign (resid 105 and name HN )
((resid 101 and name HG+ ) or (resid 104 and name HB+ )) 4.9246 3.0246 0.00 ! 0.72311 N
assign (resid 106 and name HN )
((resid 106 and name HA+ ) or (resid 105 and name HA )) 2.50 0.60 0.00 ! 8.13688 N
assign (resid 106 and name HN )
((resid 116 and name HB+ ) or (resid 107 and name HG+ )) 5.26932 3.36932 0.00 ! 0.57296 N
assign (resid 107 and name HA )
((resid 107 and name HB+ ) or (resid 107 and name HG+ )) 2.50 0.60 0.00 ! 1.58306 C
assign (resid 107 and name HE2+ )
((resid 107 and name HB+ ) or (resid 107 and name HG+ )) 3.05191 1.15191 0.00 ! 3.75 N
assign (resid 108 and name HN )
((resid 107 and name HB+ ) or (resid 107 and name HG+ )) 3.35514 1.45514 0.00 ! 2.70716 N
assign (resid 109 and name HG2+ )
((resid 110 and name HD+ ) or (resid 110 and name HN )) 4.92155 3.02155 0.00 ! 0.26255 C
assign (resid 110 and name HA )
((resid 110 and name HD+ ) or (resid 110 and name HN )) 3.32905 1.42905 0.00 ! 0.68687 C
assign (resid 110 and name HN )
((resid 108 and name HB+ ) or (resid 114 and name HB+ )) 3.64878 1.74878 0.00 ! 2.02848 N
assign (resid 111 and name HN )
((resid 108 and name HB+ ) or (resid 110 and name HB+ )) 5.43782 3.53782 0.00 ! 0.51416 N
assign (resid 117 and name HE )
((resid 118 and name HD1+ ) or (resid 115 and name HG2+ )) 5.50 3.60 0.00 ! 0.47343 N
assign (resid 118 and name HA )
((resid 119 and name HN ) or (resid 118 and name HN )) 2.50 0.60 0.00 ! 1.83691 C
assign (resid 118 and name HD1+ )
((resid 118 and name HN ) or (resid 119 and name HN )) 4.99897 3.09897 0.00 ! 0.25266 C
assign (resid 119 and name HN )
((resid 118 and name HB ) or (resid 48 and name HB2 )) 5.50 3.60 0.00 ! 0.00000 N STEREO 48
assign (resid 119 and name HN )
((resid 118 and name HG1+ ) or (resid 48 and name HG+ )) 5.50 3.60 0.00 ! 0.00000 N
assign (resid 125 and name HN )
((resid 88 and name HD++ ) or (resid 123 and name HD++ )) 3.80323 1.90323 0.00 ! 1.75888 N
assign (resid 131 and name HN )
((resid 130 and name HD+ ) or (resid 143 and name HN )) 5.17964 3.27964 0.00 ! 0.60781 N
assign (resid 131 and name HD2+ )
((resid 128 and name HG++ ) or (resid 143 and name HD++ )) 5.43169 3.53169 0.00 ! 0.51616 N
assign (resid 132 and name HD2+ )
((resid 134 and name HN ) or (resid 133 and name HN )) 4.40641 2.50641 0.00 ! 1.06 N
assign (resid 134 and name HN )
((resid 134 and name HA ) or (resid 133 and name HA )) 3.69276 1.79276 0.00 ! 1.94658 N
assign (resid 135 and name HA )
((resid 76 and name HB ) or (resid 77 and name HB )) 5.50 3.60 0.00 ! 0.24194 C
assign (resid 135 and name HN )
((resid 134 and name HA ) or (resid 133 and name HA )) 3.81194 1.91194 0.00 ! 1.74509 N
assign (resid 141 and name HA )
((resid 141 and name HB+ ) or (resid 141 and name HG+ )) 2.66259 0.762594 0.00 ! 1.18996 C
assign (resid 144 and name HD+ )
((resid 143 and name HA ) or (resid 141 and name HA )) 2.50 0.60 0.00 ! 2.5000 C
assign (resid 131 and name HN )
((resid 143 and name HD++ ) or (resid 128 and name HG++ )) 4.65949 2.75949 0.00 ! 0.87473 N manually added
assign (resid 147 and name HN )
((resid 131 and name HB+ ) or (resid 147 and name HB+ )) 3.1506 1.2506 0.00 ! 3.36115 N
assign (resid 51 and name HN )
((resid 85 and name HD+ ) or (resid 85 and name HE+ )) 4.27241 2.37241 0.00 ! 1.17881 N
assign (resid 86 and name HN )
((resid 85 and name HD+ ) or (resid 85 and name HE+ )) 4.27241 2.37241 0.00 ! 1.17881 N
assign (resid 43 and name HB+ )
((resid 44 and name HN ) or (resid 43 and name HN )) 4.23476 2.33476 0.00 ! 0.38 C
assign (resid 49 and name HD1+ )
((resid 67 and name HE+ ) or (resid 67 and name HZ )) 3.47453 1.57453 0.00 ! 0.61827 C
assign (resid 50 and name HG1+ )
((resid 86 and name HG+ ) or (resid 117 and name HB+ )) 3.21216 1.31216 0.00 ! 0.75 C
assign (resid 50 and name HG2+ )
((resid 52 and name HN ) or (resid 87 and name HN )) 4.57441 2.67441 0.00 ! 0.31431 C
assign (resid 50 and name HG2+ )
((resid 84 and name HE2+ ) or (resid 86 and name HE2+ )) 5.50 3.60 0.00 ! 0.20571 C
assign (resid 51 and name HG++ )
((resid 52 and name HN ) or (resid 87 and name HN )) 3.76114 1.86114 0.00 ! 0.50874 C
assign ((resid 51 and name HG++ ) or (resid 95 and name HG++ ))
((resid 86 and name HN ) or (resid 99 and name HN )) 5.50 3.60 0.00 ! 0.18797 C
assign (resid 58 and name HG++ )
((resid 110 and name HE+ ) or (resid 59 and name HN )) 3.61512 1.71512 0.00 ! 0.56079 C
assign (resid 60 and name HD++ )
((resid 135 and name HA ) or (resid 78 and name HA )) 4.60699 2.70699 0.00 ! 0.30887 C
assign (resid 61 and name HB1 )
((resid 63 and name HB+ ) or (resid 62 and name HG++ )) 5.50 3.60 0.00 ! 0.22879 C STEREO 61
assign (resid 62 and name HG++ )
((resid 65 and name HG+ ) or (resid 61 and name HB2 )) 5.50 3.60 0.00 ! 0.22489 C STEREO 61
assign (resid 63 and name HA )
((resid 66 and name HG1+ ) or (resid 63 and name HB+ )) 3.24082 1.34082 0.00 ! 0.73379 C
assign (resid 63 and name HA )
((resid 66 and name HB ) or (resid 63 and name HG )) 5.50 3.60 0.00 ! 0.00000 C
assign (resid 66 and name HA )
((resid 67 and name HN ) or (resid 68 and name HN )) 5.50 3.60 0.00 ! 0.22608 C
assign (resid 67 and name HA )
((resid 67 and name HB2 ) or (resid 70 and name HB2 )) 3.49121 1.59121 0.00 ! 0.61103 C STEREO 67 70
assign (resid 67 and name HB+ )
((resid 67 and name HN ) or (resid 68 and name HN )) 3.16135 1.26135 0.00 ! 0.78 C
assign (resid 67 and name HD+ )
((resid 104 and name HD++ ) or (resid 89 and name HD++ )) 5.00155 3.10155 0.00 ! 0.25234 C
assign (resid 70 and name HD+ )
((resid 67 and name HA ) or (resid 71 and name HA+ )) 4.05342 2.15342 0.00 ! 1.26959 A
assign (resid 70 and name HE+ )
((resid 103 and name HB+ ) or (resid 66 and name HA )) 4.46643 2.56643 0.00 ! 1.00000 A
assign (resid 72 and name HA )
((resid 73 and name HB ) or (resid 92 and name HB+ )) 4.68855 2.78855 0.00 ! 0.29582 C
assign (resid 73 and name HA )
((resid 72 and name HG2+ ) or (resid 89 and name HG )) 5.50 3.60 0.00 ! 0.22629 C
assign (resid 75 and name HA )
((resid 128 and name HG++ ) or (resid 74 and name HD++ )) 5.50 3.60 0.00 ! 0.24288 C
assign ((resid 76 and name HB ) or (resid 77 and name HB ))
((resid 136 and name HB1 ) or (resid 126 and name HB+ )) 5.50 3.60 0.00 ! 0.00000 C STEREO 136
assign (resid 76 and name HD1+ )
((resid 136 and name HG+ ) or (resid 66 and name HG2+ )) 5.50 3.60 0.00 ! 0.00000 C
assign (resid 76 and name HD1+ )
((resid 90 and name HN ) or (resid 76 and name HN )) 5.50 3.60 0.00 ! 0.15256 C
assign ((resid 77 and name HB ) or (resid 76 and name HB ))
((resid 126 and name HD++ ) or (resid 136 and name HG+ )) 4.16 2.26 0.00 ! 0.40000 C
assign (resid 77 and name HD1+ )
((resid 136 and name HN ) or (resid 88 and name HN )) 5.50 3.60 0.00 ! 0.00000 C
assign (resid 77 and name HG1+ )
((resid 128 and name HG++ ) or (resid 126 and name HD++ )) 3.78773 1.88773 0.00 ! 0.50000 C
assign (resid 77 and name HG1+ )
((resid 77 and name HN ) or (resid 136 and name HN )) 5.50 3.60 0.00 ! 0.20907 C
assign (resid 78 and name HA )
((resid 87 and name HB+ ) or (resid 77 and name HG2+ )) 3.26155 1.36155 0.00 ! 0.72237 C
assign (resid 78 and name HB )
((resid 60 and name HD++ ) or (resid 63 and name HD++ )) 4.54221 2.64221 0.00 ! 0.31982 C
assign (resid 78 and name HB )
((resid 88 and name HN ) or (resid 87 and name HN )) 5.50 3.60 0.00 ! 0.00000 C
assign (resid 78 and name HG2+ )
((resid 60 and name HB2 ) or (resid 63 and name HG )) 4.69023 2.79023 0.00 ! 0.29556 C STEREO 60
assign (resid 80 and name HB )
((resid 80 and name HN ) or (resid 81 and name HN )) 3.75169 1.85169 0.00 ! 0.51190 C
assign ((resid 84 and name HB+ ) or (resid 51 and name HB ))
((resid 85 and name HD+ ) or (resid 85 and name HE+ )) 3.78521 1.88521 0.00 ! 0.50082 C
assign (resid 85 and name HD+ )
((resid 51 and name HB ) or (resid 84 and name HB+ )) 2.946 1.046 0.00 ! 2.78349 A
assign (resid 85 and name HD+ )
((resid 80 and name HA ) or (resid 86 and name HA )) 5.50 3.60 0.00 ! 0.66384 A
assign (resid 86 and name HA )
((resid 85 and name HE+ ) or (resid 85 and name HD+ )) 5.50 3.60 0.00 ! 0.00000 C
assign (resid 88 and name HG )
((resid 79 and name HE+ ) or (resid 79 and name HZ )) 3.65846 1.75846 0.00 ! 0.54459 C HERE!
assign (resid 89 and name HB+ )
((resid 76 and name HG++ ) or (resid 49 and name HG++ )) 3.78773 1.88773 0.00 ! 0.5 C
assign (resid 89 and name HD++ )
((resid 67 and name HE+ ) or (resid 91 and name HD+ )) 3.71000 1.80000 0.00 ! 0.6 C
assign (resid 89 and name HD++ )
((resid 90 and name HA ) or (resid 76 and name HA )) 5.50 3.60 0.00 ! 0.17056 C
assign (resid 89 and name HD++ )
((resid 73 and name HB ) or (resid 76 and name HG1+ )) 4.596 2.696 0.00 ! 0.31069 C
assign (resid 90 and name HA )
((resid 46 and name HB ) or (resid 90 and name HG+ )) 4.08118 2.18118 0.00 ! 0.41615 C
assign (resid 90 and name HA )
((resid 47 and name HD++ ) or (resid 126 and name HD++ )) 5.50 3.60 0.00 ! 0.00000 C
assign (resid 90 and name HG+ )
((resid 91 and name HN ) or (resid 90 and name HN )) 4.14738 2.24738 0.00 ! 0.4 C
assign (resid 91 and name HD+ )
((resid 92 and name HA ) or (resid 72 and name HA )) 5.50 3.60 0.00 ! 0.49418 A
assign (resid 91 and name HE+ )
((resid 47 and name HD++ ) or (resid 47 and name HB+ )) 2.71549 0.81549 0.00 ! 3.40124 A
assign (resid 91 and name HE+ )
((resid 70 and name HB1 ) or (resid 96 and name HB+ )) 4.89962 2.99962 0.00 ! 0.79635 A STEREO 70
assign (resid 91 and name HE+ )
((resid 72 and name HA ) or (resid 71 and name HA+ )) 5.50 3.60 0.00 ! 0.48730 A
assign (resid 91 and name HE+ )
((resid 96 and name HB+ ) or (resid 70 and name HB2 )) 3.97873 2.07873 0.00 ! 1.32902 A STEREO 70
assign (resid 93 and name HA )
((resid 92 and name HB+ ) or (resid 45 and name HB+ )) 4.8988 2.9988 0.00 ! 0.26556 C
assign (resid 93 and name HA )
((resid 94 and name HG+ ) or (resid 45 and name HG+ )) 5.50 3.60 0.00 ! 0.25 C
assign (resid 93 and name HA )
((resid 94 and name HD+ ) or (resid 45 and name HD+ )) 2.50 0.60 0.00 ! 1.94438 C
assign (resid 94 and name HA )
((resid 43 and name HE2+ ) or (resid 98 and name HE2+ )) 5.50 3.60 0.00 ! 0.18703 C
assign (resid 94 and name HA )
((resid 98 and name HN ) or (resid 96 and name HN )) 5.50 3.60 0.00 ! 0.18394 C
assign (resid 96 and name HB+ )
((resid 97 and name HN ) or (resid 91 and name HE+ )) 4.10595 2.20595 0.00 ! 0.41 C
assign (resid 97 and name HB+ )
((resid 45 and name HB+ ) or (resid 47 and name HB2 )) 2.50 0.60 0.00 ! 1.53054 C STEREO 47
assign (resid 98 and name HA )
((resid 101 and name HD+ ) or (resid 102 and name HD++ )) 4.69695 2.79695 0.00 ! 0.29452 C
assign (resid 98 and name HA )
((resid 98 and name HE2+ ) or (resid 120 and name HZ )) 3.0257 1.1257 0.00 ! 0.86886 C
assign (resid 98 and name HB+ )
((resid 95 and name HB ) or (resid 94 and name HB+ )) 4.52483 2.62483 0.00 ! 0.32285 C
assign (resid 98 and name HB+ )
((resid 98 and name HE2+ ) or (resid 120 and name HZ )) 4.27416 2.37416 0.00 ! 0.37144 C
assign (resid 98 and name HG+ )
((resid 98 and name HA ) or (resid 94 and name HA )) 4.05095 2.15095 0.00 ! 0.42383 C
assign (resid 99 and name HA )
((resid 101 and name HD+ ) or (resid 102 and name HD++ )) 3.77737 1.87737 0.00 ! 0.50338 C
assign (resid 99 and name HA )
((resid 102 and name HB2 ) or (resid 102 and name HG )) 3.9528 2.0528 0.00 ! 0.45019 C STEREO 102
assign (resid 101 and name HA )
((resid 105 and name HB+ ) or (resid 101 and name HE+ )) 5.50 3.60 0.00 ! 0.18306 C
assign (resid 101 and name HB2 )
((resid 47 and name HD++ ) or (resid 118 and name HG2+ )) 4.63828 2.73828 0.00 ! 0.30377 C STEREO 101
assign ((resid 101 and name HB1 ) or (resid 90 and name HB+ ))
((resid 118 and name HG2+ ) or (resid 46 and name HG1+ )) 4.82959 2.92959 0.00 ! 0.27502 C STEREO 46 101
assign (resid 103 and name HB+ )
((resid 70 and name HE+ ) or (resid 70 and name HZ )) 2.6100 0.7100 0.00 ! 1.25000 C
assign (resid 104 and name HD++ )
((resid 100 and name HA ) or (resid 107 and name HG+ )) 3.16 1.26 0.00 ! 0.78000 C
assign (resid 104 and name HD++ )
((resid 104 and name HA ) or (resid 67 and name HA )) 4.3452 2.4452 0.00 ! 0.35668 C
assign (resid 104 and name HD++ )
((resid 70 and name HE+ ) or (resid 70 and name HZ )) 2.59000 0.69000 0.00 ! 1.27000 C
assign (resid 105 and name HA )
((resid 107 and name HG+ ) or (resid 116 and name HB+ )) 5.50 3.60 0.00 ! 0.23569 C
assign (resid 105 and name HA )
((resid 118 and name HD1+ ) or (resid 118 and name HG1+ )) 3.36361 1.46361 0.00 ! 0.66964 C
assign (resid 105 and name HB+ )
((resid 107 and name HN ) or (resid 104 and name HN )) 4.66188 2.76188 0.00 ! 0.3 C
assign (resid 107 and name HB+ )
((resid 109 and name HG1+ ) or (resid 116 and name HD++ )) 4.14738 2.24738 0.00 ! 0.40000 C
assign (resid 107 and name HG+ )
((resid 104 and name HA ) or (resid 107 and name HA )) 2.50 0.60 0.00 ! 1.41 C
assign (resid 108 and name HB+ )
((resid 109 and name HN ) or (resid 112 and name HN )) 5.50 3.60 0.00 ! 0.18301 C
assign (resid 109 and name HA )
((resid 109 and name HG1+ ) or (resid 116 and name HD++ )) 3.58562 1.68562 0.00 ! 0.57221 C
assign (resid 109 and name HD1+ )
((resid 109 and name HN ) or (resid 116 and name HN )) 4.60578 2.70578 0.00 ! 0.30907 C HERE!
assign (resid 109 and name HD1+ )
((resid 57 and name HG+ ) or (resid 116 and name HG )) 5.50 3.60 0.00 ! 0.00000 C
assign (resid 110 and name HD+ )
((resid 109 and name HD1+ ) or (resid 58 and name HG++ )) 4.89052 2.99052 0.00 ! 0.80000 A
assign (resid 110 and name HD+ )
((resid 58 and name HG++ ) or (resid 109 and name HG1+ )) 4.77591 2.87591 0.00 ! 0.84806 A
assign (resid 113 and name HA )
((resid 113 and name HB+ ) or (resid 55 and name HB+ )) 2.98845 1.08845 0.00 ! 0.89575 C
assign (resid 113 and name HA )
((resid 53 and name HB2 ) or (resid 55 and name HB+ )) 4.72525 2.82525 0.00 ! 0.29020 C STEREO 53
assign (resid 113 and name HB+ )
((resid 53 and name HB2 ) or (resid 55 and name HB+ )) 3.36287 1.46287 0.00 ! 0.67 C STEREO 53
assign (resid 114 and name HA )
((resid 113 and name HB+ ) or (resid 55 and name HB+ )) 5.50 3.60 0.00 ! 0.24838 C
assign (resid 114 and name HA )
((resid 53 and name HB2 ) or (resid 55 and name HB+ )) 5.50 3.60 0.00 ! 0.00000 C STEREO 53
assign (resid 114 and name HA )
((resid 58 and name HG++ ) or (resid 51 and name HG++ )) 2.65171 0.751711 0.00 ! 1.20201 C
assign (resid 115 and name HG2+ )
((resid 107 and name HG+ ) or (resid 116 and name HB+ )) 5.50 3.60 0.00 ! 0.00000 C
assign (resid 115 and name HG2+ )
((resid 115 and name HA ) or (resid 116 and name HA )) 3.18505 1.28505 0.00 ! 0.76580 C
assign (resid 116 and name HB+ )
((resid 49 and name HD1+ ) or (resid 109 and name HG2+ )) 5.50 3.60 0.00 ! 0.16335 C
assign (resid 116 and name HD1+ )
((resid 117 and name HN ) or (resid 52 and name HN )) 4.22907 2.32907 0.00 ! 0.38126 C
assign (resid 116 and name HD1+ )
((resid 51 and name HA ) or (resid 118 and name HA )) 4.80076 2.90076 0.00 ! 0.27910 C
assign (resid 117 and name HB+ )
((resid 50 and name HG2+ ) or (resid 118 and name HD1+ )) 4.43062 2.53062 0.00 ! 0.34 C
assign (resid 117 and name HD+ )
((resid 106 and name HN ) or (resid 50 and name HN )) 5.50 3.60 0.00 ! 0.19061 C
assign (resid 118 and name HB )
((resid 101 and name HA ) or (resid 106 and name HA+ )) 4.95587 3.05587 0.00 ! 0.25810 C
assign (resid 118 and name HB )
((resid 105 and name HA ) or (resid 106 and name HA+ )) 4.96967 3.06967 0.00 ! 0.25634 C
assign (resid 118 and name HB )
((resid 119 and name HN ) or (resid 118 and name HN )) 3.9518 2.0518 0.00 ! 0.45047 C
assign (resid 118 and name HD1+ )
((resid 101 and name HA ) or (resid 106 and name HA+ )) 3.68685 1.78685 0.00 ! 0.53433 C
assign (resid 118 and name HD1+ )
((resid 104 and name HN ) or (resid 101 and name HN )) 5.50 3.60 0.00 ! 0.21324 C
assign (resid 118 and name HD1+ )
((resid 105 and name HA ) or (resid 106 and name HA+ )) 3.8363 1.9363 0.00 ! 0.48457 C
assign (resid 118 and name HD1+ )
((resid 105 and name HB+ ) or (resid 117 and name HD+ )) 5.50 3.60 0.00 ! 0.18044 C
assign (resid 118 and name HD1+ )
((resid 106 and name HN ) or (resid 50 and name HN )) 5.50 3.60 0.00 ! 0.00000 C
assign (resid 118 and name HD1+ )
((resid 107 and name HG+ ) or (resid 116 and name HB+ )) 4.86398 2.96398 0.00 ! 0.27026 C
assign (resid 118 and name HD1+ )
((resid 67 and name HE+ ) or (resid 67 and name HZ )) 2.74998 0.849977 0.00 ! 1.09909 C
assign (resid 118 and name HD1+ )
((resid 101 and name HE+ ) or (resid 105 and name HB+ )) 4.69132 2.79132 0.00 ! 0.29539 C
assign (resid 118 and name HG2+ )
((resid 101 and name HN ) or (resid 104 and name HN )) 4.85982 2.95982 0.00 ! 0.27083 C
assign (resid 118 and name HG2+ )
((resid 105 and name HA ) or (resid 106 and name HA+ )) 5.50 3.60 0.00 ! 0.16682 C
assign (resid 118 and name HG2+ )
((resid 118 and name HA ) or (resid 47 and name HA )) 2.88884 0.98884 0.00 ! 0.97365 C
assign (resid 118 and name HG2+ )
((resid 119 and name HN ) or (resid 118 and name HN )) 2.7997 0.899702 0.00 ! 1.05169 C
assign (resid 118 and name HG2+ )
((resid 48 and name HN ) or (resid 117 and name HN )) 4.40446 2.50446 0.00 ! 0.34499 C
assign (resid 120 and name HD+ )
((resid 101 and name HE+ ) or (resid 122 and name HE+ )) 4.64804 2.74804 0.00 ! 0.90661 A
assign (resid 120 and name HD+ )
((resid 118 and name HA ) or (resid 47 and name HA )) 5.50 3.60 0.00 ! 0.38589 A
assign (resid 120 and name HD+ )
((resid 98 and name HA ) or (resid 122 and name HA )) 5.50 3.60 0.00 ! 0.67267 A
assign (resid 120 and name HE+ )
((resid 101 and name HD+ ) or (resid 101 and name HG+ )) 5.50 3.60 0.00 ! 0.69491 A
assign (resid 120 and name HE+ )
((resid 101 and name HE+ ) or (resid 122 and name HE+ )) 4.45127 2.55127 0.00 ! 1.00840 A
assign (resid 120 and name HE+ )
((resid 98 and name HA ) or (resid 122 and name HA )) 3.48875 1.58875 0.00 ! 1.83627 A
assign (resid 120 and name HZ )
((resid 101 and name HD+ ) or (resid 124 and name HG2+ )) 5.50 3.60 0.00 ! 0.43446 A
assign (resid 120 and name HZ )
((resid 98 and name HA ) or (resid 94 and name HA )) 3.07757 1.17757 0.00 ! 2.49984 A
assign (resid 121 and name HB+ )
((resid 122 and name HB+ ) or (resid 48 and name HB1 )) 5.50 3.60 0.00 ! 0.00000 C STEREO 48
assign (resid 123 and name HB+ )
((resid 124 and name HN ) or (resid 123 and name HN )) 3.88977 1.98977 0.00 ! 0.46835 C
assign (resid 124 and name HN )
((resid 123 and name HA ) or (resid 122 and name HA )) 2.81528 0.91528 0.00 ! 4.95 N
assign (resid 123 and name HD++ )
((resid 122 and name HN ) or (resid 124 and name HN )) 4.14738 2.24738 0.00 ! 0.4 C
assign (resid 123 and name HG )
((resid 124 and name HN ) or (resid 123 and name HN )) 3.73913 1.83913 0.00 ! 0.51614 C
assign (resid 124 and name HA )
((resid 126 and name HD++ ) or (resid 46 and name HG1+ )) 5.50 3.60 0.00 ! 0.19224 C STEREO 46
assign (resid 124 and name HA )
((resid 46 and name HN ) or (resid 123 and name HN )) 5.50 3.60 0.00 ! 0.00000 C
assign (resid 124 and name HB )
((resid 126 and name HD++ ) or (resid 46 and name HG1+ )) 5.50 3.60 0.00 ! 0.17244 C STEREO 46
assign ((resid 125 and name HB+ ) or (resid 66 and name HA ))
(resid 129 and name HE+ ) 5.50 3.60 0.00 ! 0.21689 C
assign (resid 126 and name HD++ )
((resid 126 and name HA ) or (resid 77 and name HA )) 4.80146 2.90146 0.00 ! 0.27900 C
assign (resid 126 and name HD++ )
((resid 46 and name HB ) or (resid 90 and name HG+ )) 5.50 3.60 0.00 ! 0.17183 C
assign (resid 126 and name HD++ )
((resid 78 and name HN ) or (resid 89 and name HN )) 5.50 3.60 0.00 ! 0.18226 C
assign (resid 126 and name HD++ )
((resid 90 and name HA ) or (resid 76 and name HA )) 4.66302 2.76302 0.00 ! 0.29982 C
assign (resid 126 and name HD++ )
((resid 90 and name HN ) or (resid 76 and name HN )) 3.93893 2.03893 0.00 ! 0.45410 C
assign (resid 130 and name HB2 )
((resid 136 and name HA ) or (resid 145 and name HA )) 5.50 3.60 0.00 ! 0.17152 C STEREO 130
assign (resid 131 and name HB+ )
((resid 144 and name HG+ ) or (resid 134 and name HB1 )) 5.50 3.60 0.00 ! 0.15945 C STEREO 134
assign (resid 132 and name HB+ )
((resid 133 and name HN ) or (resid 134 and name HN )) 5.50 3.60 0.00 ! 0.20372 C
assign (resid 135 and name HA )
((resid 60 and name HD++ ) or (resid 76 and name HG2+ )) 2.87798 0.977984 0.00 ! 0.98271 C
assign (resid 135 and name HB+ )
((resid 77 and name HG2+ ) or (resid 77 and name HG1+ )) 3.19491 1.29491 0.00 ! 0.76 C
assign (resid 136 and name HD+ )
((resid 137 and name HN ) or (resid 136 and name HN )) 5.50 3.60 0.00 ! 0.00000 C
assign (resid 136 and name HG+ )
((resid 137 and name HN ) or (resid 136 and name HN )) 3.78773 1.88773 0.00 ! 0.50 C
assign (resid 137 and name HA )
((resid 138 and name HD+ ) or (resid 131 and name HD2+ )) 5.50 3.60 0.00 ! 0.21536 C
assign (resid 137 and name HA )
((resid 143 and name HD++ ) or (resid 128 and name HG++ )) 4.26392 2.36392 0.00 ! 0.37364 C
assign (resid 137 and name HB+ )
((resid 128 and name HB ) or (resid 140 and name HB+ )) 3.93387 2.03387 0.00 ! 0.45554 C
assign (resid 137 and name HB+ )
((resid 143 and name HD++ ) or (resid 128 and name HG++ )) 3.02816 1.12816 0.00 ! 0.86713 C
assign (resid 137 and name HB+ )
((resid 128 and name HB ) or (resid 140 and name HB+ )) 5.50 3.60 0.00 ! 0.00000 C
assign (resid 137 and name HB+ )
((resid 143 and name HD++ ) or (resid 128 and name HG++ )) 3.1856 1.2856 0.00 ! 0.76548 C
assign (resid 138 and name HE+ )
((resid 64 and name HB2 ) or (resid 138 and name HB1 )) 4.83775 2.93775 0.00 ! 0.82164 A STEREO 64 138
assign (resid 138 and name HE+ )
((resid 64 and name HD+ ) or (resid 75 and name HA )) 4.4698 2.5698 0.00 ! 0.99815 A
assign (resid 138 and name HE+ )
((resid 76 and name HG2+ ) or (resid 76 and name HG1+ )) 3.12753 1.22753 0.00 ! 2.40275 A
assign (resid 139 and name HG2+ )
((resid 140 and name HB+ ) or (resid 75 and name HB+ )) 5.50 3.60 0.00 ! 0.20184 C
assign (resid 139 and name HG2+ )
((resid 74 and name HD++ ) or (resid 129 and name HG+ )) 5.50 3.60 0.00 ! 0.00000 C
assign (resid 139 and name HG2+ )
((resid 75 and name HE+ ) or (resid 138 and name HB2 )) 5.50 3.60 0.00 ! 0.17354 C STEREO 138
assign (resid 140 and name HG+ )
((resid 128 and name HG++ ) or (resid 143 and name HD++ )) 4.43529 2.53529 0.00 ! 0.33912 C
assign (resid 141 and name HD+ )
((resid 140 and name HB+ ) or (resid 140 and name HG+ )) 5.50 3.60 0.00 ! 0.00000 C
assign (resid 144 and name HB+ )
((resid 130 and name HD+ ) or (resid 143 and name HN )) 5.50 3.60 0.00 ! 0.16496 C
assign (resid 144 and name HG+ )
((resid 130 and name HD+ ) or (resid 143 and name HN )) 3.42608 1.52608 0.00 ! 0.64 C
assign (resid 145 and name HA )
((resid 130 and name HB2 ) or (resid 141 and name HB+ )) 5.50 3.60 0.00 ! 0.00000 C STEREO 130
assign (resid 145 and name HA )
((resid 130 and name HB1 ) or (resid 75 and name HE+ )) 5.50 3.60 0.00 ! 0.00000 C STEREO 130
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