NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
|
|
540794 |
2rse   |
11471 | cing | 2-parsed | STAR | dipolar coupling |
data_2rse_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rse
_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_2rse 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rse
_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 2rse "Master copy" parsed_2rse
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rse
_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 2rse.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rse 1
1 2rse.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2rse 1
1 2rse.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2rse 1
1 2rse.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2rse 1
1 2rse.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2rse 1
1 2rse.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rse 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2rse
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_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 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 3 and name HN) -1.05 0.001
;
1 1 5 40 parsed_2rse 1
2
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 4 and name HN) -0.679 0.001
;
6 1 10 41 parsed_2rse 1
3
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 5 and name HN) -1.008 0.001
;
11 1 15 41 parsed_2rse 1
4
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 7 and name HN) -0.3 0.001
;
16 1 20 39 parsed_2rse 1
5
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 8 and name HN) -0.153 0.001
;
21 1 25 41 parsed_2rse 1
6
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 21 and name HN) -0.058 0.001
;
26 1 30 42 parsed_2rse 1
7
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 22 and name HN) -0.109 0.001
;
31 1 35 42 parsed_2rse 1
8
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 23 and name HN) -0.122 0.001
;
36 1 40 42 parsed_2rse 1
9
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 24 and name HN) -0.186 0.001
;
41 1 45 42 parsed_2rse 1
10
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 25 and name HN) -0.241 0.001
;
46 1 50 42 parsed_2rse 1
11
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 26 and name HN) -0.334 0.001
;
51 1 55 42 parsed_2rse 1
12
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 27 and name HN) -0.567 0.001
;
56 1 60 42 parsed_2rse 1
13
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 28 and name HN) -0.598 0.001
;
61 1 65 42 parsed_2rse 1
14
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 29 and name HN) -0.978 0.001
;
66 1 70 42 parsed_2rse 1
15
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 46 and name HN) -0.212 0.001
;
71 1 75 42 parsed_2rse 1
16
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 47 and name HN) -0.178 0.001
;
76 1 80 42 parsed_2rse 1
17
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 48 and name HN) -0.141 0.001
;
81 1 85 42 parsed_2rse 1
18
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 49 and name HN) -0.105 0.001
;
86 1 90 42 parsed_2rse 1
19
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 56 and name HN) -0.227 0.001
;
91 1 95 42 parsed_2rse 1
20
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 57 and name HN) -0.155 0.001
;
96 1 100 42 parsed_2rse 1
21
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 58 and name HN) -0.251 0.001
;
101 1 105 42 parsed_2rse 1
22
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 59 and name HN) -0.288 0.001
;
106 1 110 42 parsed_2rse 1
23
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 60 and name HN) -0.185 0.001
;
111 1 115 42 parsed_2rse 1
24
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 61 and name HN) -0.149 0.001
;
116 1 120 42 parsed_2rse 1
25
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 62 and name HN) -0.238 0.001
;
121 1 125 42 parsed_2rse 1
26
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 63 and name HN) -0.235 0.001
;
126 1 130 42 parsed_2rse 1
27
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 64 and name HN) -0.119 0.001
;
131 1 135 42 parsed_2rse 1
28
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 65 and name HN) -0.084 0.001
;
136 1 140 42 parsed_2rse 1
29
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 71 and name HN) -0.131 0.001
;
141 1 145 42 parsed_2rse 1
30
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 72 and name HN) -0.424 0.001
;
146 1 150 42 parsed_2rse 1
31
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 73 and name HN) -0.863 0.001
;
151 1 155 42 parsed_2rse 1
32
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 74 and name HN) -1.032 0.001
;
156 1 160 42 parsed_2rse 1
33
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 76 and name HN) -1.25 0.001
;
161 1 165 41 parsed_2rse 1
34
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 79 and name HN) -0.078 0.001
;
166 1 170 42 parsed_2rse 1
35
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 80 and name HN) -0.183 0.001
;
171 1 175 42 parsed_2rse 1
36
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 81 and name HN) -0.22 0.001
;
176 1 180 41 parsed_2rse 1
37
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 99 and name HN) -1.134 0.001
;
181 1 185 42 parsed_2rse 1
38
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 100 and name HN) -0.813 0.001
;
186 1 190 43 parsed_2rse 1
39
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 101 and name HN) -0.594 0.001
;
191 1 195 43 parsed_2rse 1
40
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 102 and name HN) -0.33 0.001
;
196 1 200 42 parsed_2rse 1
41
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 103 and name HN) -0.185 0.001
;
201 1 205 43 parsed_2rse 1
42
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 104 and name HN) -0.147 0.001
;
206 1 210 43 parsed_2rse 1
43
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 105 and name HN) -0.108 0.001
;
211 1 215 43 parsed_2rse 1
44
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 106 and name HN) -0.055 0.001
;
216 1 220 43 parsed_2rse 1
45
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 107 and name HN) -0.06 0.001
;
221 1 225 42 parsed_2rse 1
46
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 112 and name HN) -0.082 0.001
;
226 1 230 43 parsed_2rse 1
47
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 113 and name HN) -0.122 0.001
;
231 1 235 43 parsed_2rse 1
48
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 130 and name HN) -0.057 0.001
;
236 1 240 43 parsed_2rse 1
49
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 133 and name HN) -0.037 0.001
;
241 1 245 43 parsed_2rse 1
50
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 135 and name HN) 0.005 0.001
;
246 1 250 42 parsed_2rse 1
51
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 137 and name HN) -0.006 0.001
;
251 1 255 43 parsed_2rse 1
52
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 138 and name HN) -0.07 0.001
;
256 1 260 42 parsed_2rse 1
53
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 139 and name HN) 0.022 0.001
;
261 1 265 42 parsed_2rse 1
54
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 140 and name HN) -0.003 0.001
;
266 1 270 43 parsed_2rse 1
55
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 143 and name HN) -0.048 0.001
;
271 1 275 43 parsed_2rse 1
56
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 144 and name HN) -0.055 0.001
;
276 1 280 43 parsed_2rse 1
57
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 145 and name HN) -0.047 0.001
;
281 1 285 43 parsed_2rse 1
58
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 146 and name HN) -0.044 0.001
;
286 1 290 43 parsed_2rse 1
59
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 147 and name HN) -0.058 0.001
;
291 1 295 43 parsed_2rse 1
60
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 148 and name HN) -0.043 0.001
;
296 1 300 43 parsed_2rse 1
61
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 149 and name HN) -0.041 0.001
;
301 1 305 43 parsed_2rse 1
62
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 156 and name HN) -0.055 0.001
;
306 1 310 43 parsed_2rse 1
63
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 157 and name HN) -0.055 0.001
;
311 1 315 43 parsed_2rse 1
64
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 159 and name HN) -0.078 0.001
;
316 1 320 43 parsed_2rse 1
65
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 160 and name HN) -0.064 0.001
;
321 1 325 43 parsed_2rse 1
66
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 161 and name HN) -0.07 0.001
;
326 1 330 42 parsed_2rse 1
67
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 162 and name HN) -0.072 0.001
;
331 1 335 43 parsed_2rse 1
68
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 163 and name HN) -0.079 0.001
;
336 1 340 43 parsed_2rse 1
69
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 164 and name HN) -0.079 0.001
;
341 1 345 43 parsed_2rse 1
70
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 166 and name HN) -0.084 0.001
;
346 1 350 43 parsed_2rse 1
71
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 167 and name HN) -0.08 0.001
;
351 1 355 42 parsed_2rse 1
72
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 168 and name HN) -0.075 0.001
;
356 1 360 43 parsed_2rse 1
73
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 173 and name HN) -0.019 0.001
;
361 1 365 43 parsed_2rse 1
74
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 175 and name HN) -0.067 0.001
;
366 1 370 43 parsed_2rse 1
75
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 176 and name HN) -0.057 0.001
;
371 1 375 43 parsed_2rse 1
76
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 177 and name HN) 0.003 0.001
;
376 1 380 42 parsed_2rse 1
77
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 178 and name HN) -0.065 0.001
;
381 1 385 43 parsed_2rse 1
78
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 179 and name HN) -0.065 0.001
;
386 1 390 43 parsed_2rse 1
79
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 180 and name HN) -0.082 0.001
;
391 1 395 43 parsed_2rse 1
80
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 183 and name HN) -0.155 0.001
;
396 1 400 43 parsed_2rse 1
81
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 185 and name HN) -0.15 0.001
;
401 1 405 42 parsed_2rse 1
82
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 186 and name HN) -0.136 0.001
;
406 1 410 43 parsed_2rse 1
83
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 187 and name HN) -0.154 0.001
;
411 1 415 43 parsed_2rse 1
84
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 189 and name HN) -0.112 0.001
;
416 1 420 43 parsed_2rse 1
85
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 190 and name HN) -0.103 0.001
;
421 1 425 43 parsed_2rse 1
86
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 192 and name HN) -0.11 0.001
;
426 1 430 42 parsed_2rse 1
87
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 193 and name HN) -0.075 0.001
;
431 1 435 43 parsed_2rse 1
88
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 194 and name HN) -0.067 0.001
;
436 1 440 43 parsed_2rse 1
89
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 195 and name HN) -0.086 0.001
;
441 1 445 43 parsed_2rse 1
90
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 196 and name HN) -0.093 0.001
;
446 1 450 43 parsed_2rse 1
91
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 197 and name HN) -0.076 0.001
;
451 1 455 43 parsed_2rse 1
92
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 198 and name HN) -0.08 0.001
;
456 1 460 42 parsed_2rse 1
93
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 199 and name HN) -0.085 0.001
;
461 1 465 43 parsed_2rse 1
94
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 200 and name HN) -0.139 0.001
;
466 1 470 43 parsed_2rse 1
95
;
assign (resid 800 and name OO)
(resid 800 and name Z)
(resid 800 and name X)
(resid 800 and name Y)
(resid 201 and name HN) -0.128 0.001
;
471 1 475 43 parsed_2rse 1
stop_
save_
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