NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type |
|
|
458328 |
2krc   |
cing | 2-parsed | STAR | dipolar coupling |
data_2krc_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2krc
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_2krc 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2krc
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2krc "Master copy" parsed_2krc
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2krc
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2krc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2krc 1
1 2krc.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 130 parsed_2krc 1
1 2krc.mr . . XPLOR/CNS 3 distance NOE ambi 2340 parsed_2krc 1
1 2krc.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2krc 1
1 2krc.mr . . XPLOR/CNS 5 stereochemistry chirality "Not applicable" 0 parsed_2krc 1
1 2krc.mr . . PDB 6 coordinate "alignment tensor" "Not applicable" 0 parsed_2krc 1
1 2krc.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2krc 1
1 2krc.mr . . PDB 8 coordinate "alignment tensor" "Not applicable" 0 parsed_2krc 1
1 2krc.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2krc 1
1 2krc.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2krc 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2krc
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 7
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1
;
assign (resid 7 and name N
(resid 7 and name HN ) -21.105 1.200 1.000 0
;
7 1 8 54 parsed_2krc 1
2
;
assign (resid 8 and name N
(resid 8 and name HN ) -4.379 0.600 1.000 0
;
10 1 11 53 parsed_2krc 1
3
;
assign (resid 9 and name N
(resid 9 and name HN ) -5.474 0.600 1.000 0
;
13 1 14 53 parsed_2krc 1
4
;
assign (resid 10 and name N
(resid 10 and name HN ) -21.410 1.200 1.000 0
;
16 1 17 55 parsed_2krc 1
5
;
assign (resid 12 and name N
(resid 12 and name HN ) 7.541 0.600 1.000 0
;
19 1 20 53 parsed_2krc 1
6
;
assign (resid 13 and name N
(resid 13 and name HN ) -8.697 1.200 1.000 0
;
22 1 23 54 parsed_2krc 1
7
;
assign (resid 15 and name N
(resid 15 and name HN ) -12.955 0.600 1.000 0
;
25 1 26 55 parsed_2krc 1
8
;
assign (resid 16 and name N
(resid 16 and name HN ) -6.751 0.600 1.000 0
;
28 1 29 54 parsed_2krc 1
9
;
assign (resid 17 and name N
(resid 17 and name HN ) -15.570 1.200 1.000 0
;
31 1 32 55 parsed_2krc 1
10
;
assign (resid 18 and name N
(resid 18 and name HN ) 21.469 0.600 1.000 0
;
34 1 35 54 parsed_2krc 1
11
;
assign (resid 19 and name N
(resid 19 and name HN ) -4.866 1.200 1.000 0
;
37 1 38 54 parsed_2krc 1
12
;
assign (resid 20 and name N
(resid 20 and name HN ) -12.407 2.000 1.000 0
;
40 1 41 55 parsed_2krc 1
13
;
assign (resid 21 and name N
(resid 21 and name HN ) -0.304 1.200 1.000 0
;
43 1 44 54 parsed_2krc 1
14
;
assign (resid 22 and name N
(resid 22 and name HN ) 9.306 2.000 1.000 0
;
46 1 47 53 parsed_2krc 1
15
;
assign (resid 24 and name N
(resid 24 and name HN ) -15.691 2.000 1.000 0
;
49 1 50 55 parsed_2krc 1
16
;
assign (resid 25 and name N
(resid 25 and name HN ) 5.580 1.200 1.000 0
;
52 1 53 53 parsed_2krc 1
17
;
assign (resid 27 and name N
(resid 27 and name HN ) -17.577 1.200 1.000 0
;
59 1 60 55 parsed_2krc 1
18
;
assign (resid 29 and name N
(resid 29 and name HN ) 30.106 1.200 1.000 0
;
62 1 63 54 parsed_2krc 1
19
;
assign (resid 31 and name N
(resid 31 and name HN ) -28.950 1.200 1.000 0
;
65 1 66 55 parsed_2krc 1
20
;
assign (resid 33 and name N
(resid 33 and name HN ) 23.720 1.200 1.000 0
;
68 1 69 54 parsed_2krc 1
21
;
assign (resid 34 and name N
(resid 34 and name HN ) 22.442 0.600 1.000 0
;
71 1 72 54 parsed_2krc 1
22
;
assign (resid 35 and name N
(resid 35 and name HN ) 32.357 1.200 1.000 0
;
74 1 75 54 parsed_2krc 1
23
;
assign (resid 37 and name N
(resid 37 and name HN ) 20.679 2.000 1.000 0
;
81 1 82 54 parsed_2krc 1
24
;
assign (resid 39 and name N
(resid 39 and name HN ) 31.383 1.200 1.000 0
;
84 1 85 54 parsed_2krc 1
25
;
assign (resid 42 and name N
(resid 42 and name HN ) 34.971 1.200 1.000 0
;
87 1 88 54 parsed_2krc 1
26
;
assign (resid 43 and name N
(resid 43 and name HN ) 25.605 1.200 1.000 0
;
90 1 91 54 parsed_2krc 1
27
;
assign (resid 46 and name N
(resid 46 and name HN ) 30.593 2.000 1.000 0
;
97 1 98 54 parsed_2krc 1
28
;
assign (resid 48 and name N
(resid 48 and name HN ) -19.584 1.200 1.000 0
;
100 1 101 55 parsed_2krc 1
29
;
assign (resid 49 and name N
(resid 49 and name HN ) -22.868 1.200 1.000 0
;
103 1 104 55 parsed_2krc 1
30
;
assign (resid 50 and name N
(resid 50 and name HN ) -17.881 1.200 1.000 0
;
106 1 107 55 parsed_2krc 1
31
;
assign (resid 52 and name N
(resid 52 and name HN ) -13.623 1.200 1.000 0
;
112 1 113 55 parsed_2krc 1
32
;
assign (resid 53 and name N
(resid 53 and name HN ) 23.416 1.200 1.000 0
;
115 1 116 54 parsed_2krc 1
33
;
assign (resid 54 and name N
(resid 54 and name HN ) 1.885 1.200 1.000 0
;
118 1 119 53 parsed_2krc 1
34
;
assign (resid 59 and name N
(resid 59 and name HN ) 13.989 2.000 1.000 0
;
121 1 122 54 parsed_2krc 1
35
;
assign (resid 61 and name N
(resid 61 and name HN ) 19.037 1.200 1.000 0
;
124 1 125 54 parsed_2krc 1
36
;
assign (resid 70 and name N
(resid 70 and name HN ) -19.280 1.200 1.000 0
;
135 1 136 55 parsed_2krc 1
37
;
assign (resid 71 and name N
(resid 71 and name HN ) 24.632 1.200 1.000 0
;
138 1 139 54 parsed_2krc 1
38
;
assign (resid 74 and name N
(resid 74 and name HN ) 0.430 1.200 1.000 0
;
144 1 145 53 parsed_2krc 1
39
;
assign (resid 75 and name N
(resid 75 and name HN ) 32.782 1.200 1.000 0
;
147 1 148 54 parsed_2krc 1
40
;
assign (resid 77 and name N
(resid 77 and name HN ) -14.961 1.200 1.000 0
;
150 1 151 55 parsed_2krc 1
41
;
assign (resid 78 and name N
(resid 78 and name HN ) -21.774 1.200 1.000 0
;
153 1 154 55 parsed_2krc 1
42
;
assign (resid 6 and name N
(resid 5 and name C ) -11.459 1.655 1.000 0
;
193 1 194 53 parsed_2krc 1
43
;
assign (resid 8 and name N
(resid 7 and name C ) 0.132 1.655 1.000 0
;
200 1 201 51 parsed_2krc 1
44
;
assign (resid 9 and name N
(resid 8 and name C ) 10.606 1.655 1.000 0
;
203 1 204 52 parsed_2krc 1
45
;
assign (resid 10 and name N
(resid 9 and name C ) 7.909 1.655 1.000 0
;
206 1 207 51 parsed_2krc 1
46
;
assign (resid 12 and name N
(resid 11 and name C ) 28.766 1.655 1.000 0
;
209 1 210 53 parsed_2krc 1
47
;
assign (resid 13 and name N
(resid 12 and name C ) -11.119 1.655 1.000 0
;
212 1 213 54 parsed_2krc 1
48
;
assign (resid 16 and name N
(resid 15 and name C ) -12.915 1.655 1.000 0
;
219 1 220 54 parsed_2krc 1
49
;
assign (resid 17 and name N
(resid 16 and name C ) -9.547 1.655 1.000 0
;
222 1 223 53 parsed_2krc 1
50
;
assign (resid 18 and name N
(resid 17 and name C ) 16.828 1.655 1.000 0
;
225 1 226 53 parsed_2krc 1
51
;
assign (resid 20 and name N
(resid 19 and name C ) 2.424 1.655 1.000 0
;
228 1 229 52 parsed_2krc 1
52
;
assign (resid 21 and name N
(resid 20 and name C ) -21.759 1.655 1.000 0
;
231 1 232 54 parsed_2krc 1
53
;
assign (resid 24 and name N
(resid 23 and name C ) 1.688 1.655 1.000 0
;
234 1 235 52 parsed_2krc 1
54
;
assign (resid 25 and name N
(resid 24 and name C ) -1.026 1.655 1.000 0
;
237 1 238 53 parsed_2krc 1
55
;
assign (resid 26 and name N
(resid 25 and name C ) 14.379 1.655 1.000 0
;
240 1 241 53 parsed_2krc 1
56
;
assign (resid 28 and name N
(resid 27 and name C ) -12.162 1.655 1.000 0
;
243 1 244 54 parsed_2krc 1
57
;
assign (resid 29 and name N
(resid 28 and name C ) -6.279 1.655 1.000 0
;
246 1 247 53 parsed_2krc 1
58
;
assign (resid 31 and name N
(resid 30 and name C ) 2.714 1.655 1.000 0
;
249 1 250 52 parsed_2krc 1
59
;
assign (resid 33 and name N
(resid 32 and name C ) -17.225 1.655 1.000 0
;
252 1 253 54 parsed_2krc 1
60
;
assign (resid 34 and name N
(resid 33 and name C ) -19.500 1.655 1.000 0
;
255 1 256 54 parsed_2krc 1
61
;
assign (resid 35 and name N
(resid 34 and name C ) 6.412 1.655 1.000 0
;
258 1 259 52 parsed_2krc 1
62
;
assign (resid 36 and name N
(resid 35 and name C ) -6.329 1.655 1.000 0
;
261 1 262 53 parsed_2krc 1
63
;
assign (resid 39 and name N
(resid 38 and name C ) 7.694 1.655 1.000 0
;
264 1 265 52 parsed_2krc 1
64
;
assign (resid 42 and name N
(resid 41 and name C ) -6.453 1.655 1.000 0
;
267 1 268 53 parsed_2krc 1
65
;
assign (resid 43 and name N
(resid 42 and name C ) -3.822 1.655 1.000 0
;
270 1 271 53 parsed_2krc 1
66
;
assign (resid 45 and name N
(resid 44 and name C ) -23.902 1.655 1.000 0
;
273 1 274 54 parsed_2krc 1
67
;
assign (resid 49 and name N
(resid 48 and name C ) -2.275 1.655 1.000 0
;
280 1 281 53 parsed_2krc 1
68
;
assign (resid 50 and name N
(resid 49 and name C ) 3.301 1.655 1.000 0
;
283 1 284 52 parsed_2krc 1
69
;
assign (resid 52 and name N
(resid 51 and name C ) -10.979 1.655 1.000 0
;
286 1 287 54 parsed_2krc 1
70
;
assign (resid 54 and name N
(resid 53 and name C ) -6.337 1.655 1.000 0
;
293 1 294 53 parsed_2krc 1
71
;
assign (resid 55 and name N
(resid 54 and name C ) -12.278 1.655 1.000 0
;
296 1 297 54 parsed_2krc 1
72
;
assign (resid 58 and name N
(resid 57 and name C ) -21.089 1.655 1.000 0
;
299 1 300 54 parsed_2krc 1
73
;
assign (resid 59 and name N
(resid 58 and name C ) -6.834 1.655 1.000 0
;
302 1 303 53 parsed_2krc 1
74
;
assign (resid 70 and name N
(resid 69 and name C ) -8.836 1.655 1.000 0
;
316 1 317 53 parsed_2krc 1
75
;
assign (resid 71 and name N
(resid 70 and name C ) -28.857 1.655 1.000 0
;
319 1 320 54 parsed_2krc 1
76
;
assign (resid 74 and name N
(resid 73 and name C ) -18.052 1.655 1.000 0
;
326 1 327 54 parsed_2krc 1
77
;
assign (resid 75 and name N
(resid 74 and name C ) -1.456 1.655 1.000 0
;
329 1 330 53 parsed_2krc 1
78
;
assign (resid 76 and name N
(resid 75 and name C ) 7.661 1.655 1.000 0
;
332 1 333 52 parsed_2krc 1
79
;
assign (resid 77 and name N
(resid 76 and name C ) -10.193 1.655 1.000 0
;
335 1 336 54 parsed_2krc 1
80
;
assign (resid 78 and name N
(resid 77 and name C ) -2.548 1.655 1.000 0
;
338 1 339 53 parsed_2krc 1
81
;
assign (resid 8 and name HN
(resid 7 and name C ) -0.716 0.930 1.000 0
;
383 1 384 52 parsed_2krc 1
82
;
assign (resid 9 and name HN
(resid 8 and name C ) 10.250 0.930 1.000 0
;
386 1 387 52 parsed_2krc 1
83
;
assign (resid 10 and name HN
(resid 9 and name C ) -7.102 0.930 1.000 0
;
389 1 390 52 parsed_2krc 1
84
;
assign (resid 12 and name HN
(resid 11 and name C ) 30.103 0.930 1.000 0
;
392 1 393 53 parsed_2krc 1
85
;
assign (resid 13 and name HN
(resid 12 and name C ) -6.935 0.930 1.000 0
;
395 1 396 53 parsed_2krc 1
86
;
assign (resid 16 and name HN
(resid 15 and name C ) -10.548 0.930 1.000 0
;
402 1 403 54 parsed_2krc 1
87
;
assign (resid 17 and name HN
(resid 16 and name C ) -23.785 0.930 1.000 0
;
405 1 406 54 parsed_2krc 1
88
;
assign (resid 18 and name HN
(resid 17 and name C ) 26.285 0.930 1.000 0
;
408 1 409 53 parsed_2krc 1
89
;
assign (resid 21 and name HN
(resid 20 and name C ) -20.864 0.930 1.000 0
;
415 1 416 54 parsed_2krc 1
90
;
assign (resid 24 and name HN
(resid 23 and name C ) -25.491 0.930 1.000 0
;
418 1 419 54 parsed_2krc 1
91
;
assign (resid 25 and name HN
(resid 24 and name C ) 4.572 0.930 1.000 0
;
421 1 422 52 parsed_2krc 1
92
;
assign (resid 26 and name HN
(resid 25 and name C ) 14.664 0.930 1.000 0
;
424 1 425 53 parsed_2krc 1
93
;
assign (resid 31 and name HN
(resid 30 and name C ) -12.887 0.930 1.000 0
;
434 1 435 54 parsed_2krc 1
94
;
assign (resid 33 and name HN
(resid 32 and name C ) -8.176 0.930 1.000 0
;
437 1 438 53 parsed_2krc 1
95
;
assign (resid 34 and name HN
(resid 33 and name C ) -5.077 0.930 1.000 0
;
440 1 441 53 parsed_2krc 1
96
;
assign (resid 36 and name HN
(resid 35 and name C ) 8.780 0.930 1.000 0
;
447 1 448 52 parsed_2krc 1
97
;
assign (resid 39 and name HN
(resid 38 and name C ) 27.392 0.930 1.000 0
;
450 1 451 53 parsed_2krc 1
98
;
assign (resid 42 and name HN
(resid 41 and name C ) 20.225 0.930 1.000 0
;
453 1 454 53 parsed_2krc 1
99
;
assign (resid 43 and name HN
(resid 42 and name C ) 13.733 0.930 1.000 0
;
456 1 457 53 parsed_2krc 1
100
;
assign (resid 45 and name HN
(resid 44 and name C ) -4.683 0.930 1.000 0
;
459 1 460 53 parsed_2krc 1
101
;
assign (resid 48 and name HN
(resid 47 and name C ) 13.029 0.930 1.000 0
;
462 1 463 53 parsed_2krc 1
102
;
assign (resid 49 and name HN
(resid 48 and name C ) -11.423 0.930 1.000 0
;
465 1 466 54 parsed_2krc 1
103
;
assign (resid 50 and name HN
(resid 49 and name C ) -8.191 0.930 1.000 0
;
468 1 469 53 parsed_2krc 1
104
;
assign (resid 52 and name HN
(resid 51 and name C ) -12.412 0.930 1.000 0
;
471 1 472 54 parsed_2krc 1
105
;
assign (resid 54 and name HN
(resid 53 and name C ) -2.751 0.930 1.000 0
;
478 1 479 53 parsed_2krc 1
106
;
assign (resid 55 and name HN
(resid 54 and name C ) -11.956 0.930 1.000 0
;
481 1 482 54 parsed_2krc 1
107
;
assign (resid 58 and name HN
(resid 57 and name C ) -8.659 0.930 1.000 0
;
484 1 485 53 parsed_2krc 1
108
;
assign (resid 59 and name HN
(resid 58 and name C ) -10.303 0.930 1.000 0
;
487 1 488 54 parsed_2krc 1
109
;
assign (resid 64 and name HN
(resid 63 and name C ) 28.484 0.930 1.000 0
;
490 1 491 53 parsed_2krc 1
110
;
assign (resid 70 and name HN
(resid 69 and name C ) -9.763 0.930 1.000 0
;
501 1 502 53 parsed_2krc 1
111
;
assign (resid 71 and name HN
(resid 70 and name C ) -13.895 0.930 1.000 0
;
504 1 505 54 parsed_2krc 1
112
;
assign (resid 75 and name HN
(resid 74 and name C ) 17.157 0.930 1.000 0
;
515 1 516 53 parsed_2krc 1
113
;
assign (resid 76 and name HN
(resid 75 and name C ) 22.070 0.930 1.000 0
;
518 1 519 53 parsed_2krc 1
114
;
assign (resid 77 and name HN
(resid 76 and name C ) -14.642 0.930 1.000 0
;
521 1 522 54 parsed_2krc 1
115
;
assign (resid 78 and name HN
(resid 77 and name C ) -8.253 0.930 1.000 0
;
524 1 525 53 parsed_2krc 1
116
;
assign (resid 87 and name HN
(resid 86 and name C ) -3.933 0.930 1.000 0
;
535 1 536 53 parsed_2krc 1
117
;
assign (resid 88 and name HN
(resid 87 and name C ) -0.809 0.930 1.000 0
;
538 1 539 53 parsed_2krc 1
118
;
assign (resid 7 and name CA
(resid 7 and name C ) -14.474 1.512 1.000 0
;
575 1 576 53 parsed_2krc 1
119
;
assign (resid 9 and name CA
(resid 9 and name C ) 8.532 1.512 1.000 0
;
582 1 583 51 parsed_2krc 1
120
;
assign (resid 14 and name CA
(resid 14 and name C ) 1.336 1.512 1.000 0
;
592 1 593 52 parsed_2krc 1
121
;
assign (resid 15 and name CA
(resid 15 and name C ) -14.776 1.512 1.000 0
;
595 1 596 54 parsed_2krc 1
122
;
assign (resid 19 and name CA
(resid 19 and name C ) 27.532 1.512 1.000 0
;
609 1 610 53 parsed_2krc 1
123
;
assign (resid 20 and name CA
(resid 20 and name C ) 9.202 1.512 1.000 0
;
612 1 613 52 parsed_2krc 1
124
;
assign (resid 24 and name CA
(resid 24 and name C ) -8.678 1.512 1.000 0
;
619 1 620 53 parsed_2krc 1
125
;
assign (resid 33 and name CA
(resid 33 and name C ) 23.742 1.512 1.000 0
;
635 1 636 53 parsed_2krc 1
126
;
assign (resid 41 and name CA
(resid 41 and name C ) 7.675 1.512 1.000 0
;
652 1 653 52 parsed_2krc 1
127
;
assign (resid 46 and name CA
(resid 46 and name C ) 8.799 1.512 1.000 0
;
658 1 659 52 parsed_2krc 1
128
;
assign (resid 51 and name CA
(resid 51 and name C ) -15.124 1.512 1.000 0
;
667 1 668 54 parsed_2krc 1
129
;
assign (resid 52 and name CA
(resid 52 and name C ) -2.585 1.512 1.000 0
;
670 1 671 53 parsed_2krc 1
130
;
assign (resid 53 and name CA
(resid 53 and name C ) 0.766 1.512 1.000 0
;
673 1 674 52 parsed_2krc 1
131
;
assign (resid 56 and name CA
(resid 56 and name C ) -19.710 1.512 1.000 0
;
679 1 680 54 parsed_2krc 1
132
;
assign (resid 59 and name CA
(resid 59 and name C ) -15.507 1.512 1.000 0
;
686 1 687 54 parsed_2krc 1
133
;
assign (resid 60 and name CA
(resid 60 and name C ) -11.541 1.512 1.000 0
;
689 1 690 54 parsed_2krc 1
134
;
assign (resid 73 and name CA
(resid 73 and name C ) 39.763 1.512 1.000 0
;
718 1 719 53 parsed_2krc 1
135
;
assign (resid 74 and name CA
(resid 74 and name C ) 3.185 1.512 1.000 0
;
721 1 722 52 parsed_2krc 1
136
;
assign (resid 75 and name CA
(resid 75 and name C ) -29.180 1.512 1.000 0
;
724 1 725 54 parsed_2krc 1
137
;
assign (resid 76 and name CA
(resid 76 and name C ) -14.801 1.512 1.000 0
;
727 1 728 54 parsed_2krc 1
138
;
assign (resid 84 and name CA
(resid 84 and name C ) 11.228 1.512 1.000 0
;
749 1 750 53 parsed_2krc 1
139
;
assign (resid 85 and name CA
(resid 85 and name C ) -6.360 1.512 1.000 0
;
752 1 753 53 parsed_2krc 1
140
;
assign (resid 3 and name CA
(resid 3 and name HA ) -20.924 1.245 1.000 0
;
793 1 794 54 parsed_2krc 1
141
;
assign (resid 9 and name CA
(resid 9 and name HA ) -5.978 1.245 1.000 0
;
796 1 797 53 parsed_2krc 1
142
;
assign (resid 11 and name CA
(resid 11 and name HA ) 9.266 1.245 1.000 0
;
799 1 800 53 parsed_2krc 1
143
;
assign (resid 15 and name CA
(resid 15 and name HA ) 4.783 1.245 1.000 0
;
802 1 803 53 parsed_2krc 1
144
;
assign (resid 16 and name CA
(resid 16 and name HA ) 2.092 1.245 1.000 0
;
805 1 806 53 parsed_2krc 1
145
;
assign (resid 17 and name CA
(resid 17 and name HA ) -10.163 1.245 1.000 0
;
808 1 809 55 parsed_2krc 1
146
;
assign (resid 19 and name CA
(resid 19 and name HA ) -4.484 1.245 1.000 0
;
811 1 812 54 parsed_2krc 1
147
;
assign (resid 28 and name CA
(resid 28 and name HA ) -0.897 1.245 1.000 0
;
814 1 815 54 parsed_2krc 1
148
;
assign (resid 30 and name CA
(resid 30 and name HA ) -23.615 1.245 1.000 0
;
817 1 818 55 parsed_2krc 1
149
;
assign (resid 31 and name CA
(resid 31 and name HA ) -21.223 1.245 1.000 0
;
820 1 821 55 parsed_2krc 1
150
;
assign (resid 32 and name CA
(resid 32 and name HA ) 17.936 1.245 1.000 0
;
823 1 824 54 parsed_2krc 1
151
;
assign (resid 37 and name CA
(resid 37 and name HA ) -17.337 1.245 1.000 0
;
826 1 827 55 parsed_2krc 1
152
;
assign (resid 40 and name CA
(resid 40 and name HA ) -14.946 1.245 1.000 0
;
829 1 830 55 parsed_2krc 1
153
;
assign (resid 41 and name CA
(resid 41 and name HA ) -8.968 1.245 1.000 0
;
832 1 833 54 parsed_2krc 1
154
;
assign (resid 42 and name CA
(resid 42 and name HA ) 25.707 1.245 1.000 0
;
835 1 836 54 parsed_2krc 1
155
;
assign (resid 48 and name CA
(resid 48 and name HA ) -15.544 1.245 1.000 0
;
838 1 839 55 parsed_2krc 1
156
;
assign (resid 55 and name CA
(resid 55 and name HA ) -12.853 1.245 1.000 0
;
841 1 842 55 parsed_2krc 1
157
;
assign (resid 60 and name CA
(resid 60 and name HA ) 33.479 1.245 1.000 0
;
844 1 845 54 parsed_2krc 1
158
;
assign (resid 62 and name CA
(resid 62 and name HA ) -12.555 1.245 1.000 0
;
847 1 848 55 parsed_2krc 1
159
;
assign (resid 64 and name CA
(resid 64 and name HA ) 40.055 1.245 1.000 0
;
850 1 851 54 parsed_2krc 1
160
;
assign (resid 68 and name CA
(resid 68 and name HA ) -23.615 1.245 1.000 0
;
853 1 854 55 parsed_2krc 1
161
;
assign (resid 76 and name CA
(resid 76 and name HA ) 4.484 1.245 1.000 0
;
856 1 857 53 parsed_2krc 1
162
;
assign (resid 83 and name CA
(resid 83 and name HA ) -2.092 1.245 1.000 0
;
859 1 860 54 parsed_2krc 1
163
;
assign (resid 84 and name CA
(resid 84 and name HA ) 1.196 1.245 1.000 0
;
862 1 863 53 parsed_2krc 1
164
;
assign (resid 85 and name CA
(resid 85 and name HA ) -1.196 1.245 1.000 0
;
865 1 866 54 parsed_2krc 1
165
;
assign (resid 88 and name CA
(resid 88 and name HA ) 5.680 1.245 1.000 0
;
868 1 869 53 parsed_2krc 1
166
;
assign (resid 91 and name CA
(resid 91 and name HA ) 3.288 1.245 1.000 0
;
871 1 872 53 parsed_2krc 1
167
;
assign (resid 94 and name CA
(resid 94 and name HA ) 2.989 1.245 1.000 0
;
874 1 875 53 parsed_2krc 1
168
;
assign (resid 96 and name CA
(resid 96 and name HA ) -1.794 1.245 1.000 0
;
877 1 878 54 parsed_2krc 1
stop_
save_
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