NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
479820 |
2xdf   |
cing | 2-parsed | STAR | dipolar coupling | 90 |
data_2xdf_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2xdf
_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_2xdf 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2xdf
_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 2xdf "Master copy" parsed_2xdf
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2xdf
_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 2xdf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2xdf 1
1 2xdf.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 90 parsed_2xdf 1
1 2xdf.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2xdf 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_2
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2xdf
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 2
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . -5.0660 . . . . A 4 . N A 4 . HN parsed_2xdf 1
2 . . . . . . . . . . . . . . . . -20.7100 . . . . A 5 . N A 5 . HN parsed_2xdf 1
3 . . . . . . . . . . . . . . . . -0.2060 . . . . A 6 . N A 6 . HN parsed_2xdf 1
4 . . . . . . . . . . . . . . . . -7.8300 . . . . A 7 . N A 7 . HN parsed_2xdf 1
5 . . . . . . . . . . . . . . . . 23.4820 . . . . A 10 . N A 10 . HN parsed_2xdf 1
6 . . . . . . . . . . . . . . . . 21.2560 . . . . A 12 . N A 12 . HN parsed_2xdf 1
7 . . . . . . . . . . . . . . . . 26.2540 . . . . A 14 . N A 14 . HN parsed_2xdf 1
8 . . . . . . . . . . . . . . . . -0.4260 . . . . A 18 . N A 18 . HN parsed_2xdf 1
9 . . . . . . . . . . . . . . . . -3.7440 . . . . A 149 . N A 149 . HN parsed_2xdf 1
10 . . . . . . . . . . . . . . . . 12.6000 . . . . A 151 . N A 151 . HN parsed_2xdf 1
11 . . . . . . . . . . . . . . . . 5.0360 . . . . A 152 . N A 152 . HN parsed_2xdf 1
12 . . . . . . . . . . . . . . . . -5.5680 . . . . A 158 . N A 158 . HN parsed_2xdf 1
13 . . . . . . . . . . . . . . . . -13.6400 . . . . A 161 . N A 161 . HN parsed_2xdf 1
14 . . . . . . . . . . . . . . . . -3.2840 . . . . A 162 . N A 162 . HN parsed_2xdf 1
15 . . . . . . . . . . . . . . . . -14.2240 . . . . A 180 . N A 180 . HN parsed_2xdf 1
16 . . . . . . . . . . . . . . . . -20.7840 . . . . A 181 . N A 181 . HN parsed_2xdf 1
17 . . . . . . . . . . . . . . . . -10.1380 . . . . A 189 . N A 189 . HN parsed_2xdf 1
18 . . . . . . . . . . . . . . . . 11.1380 . . . . A 206 . N A 206 . HN parsed_2xdf 1
19 . . . . . . . . . . . . . . . . 0.5920 . . . . A 209 . N A 209 . HN parsed_2xdf 1
20 . . . . . . . . . . . . . . . . -5.7600 . . . . A 210 . N A 210 . HN parsed_2xdf 1
21 . . . . . . . . . . . . . . . . 14.6360 . . . . A 215 . N A 215 . HN parsed_2xdf 1
22 . . . . . . . . . . . . . . . . 25.0440 . . . . A 220 . N A 220 . HN parsed_2xdf 1
23 . . . . . . . . . . . . . . . . 15.6080 . . . . A 222 . N A 222 . HN parsed_2xdf 1
24 . . . . . . . . . . . . . . . . 26.7200 . . . . A 228 . N A 228 . HN parsed_2xdf 1
25 . . . . . . . . . . . . . . . . 11.0620 . . . . A 230 . N A 230 . HN parsed_2xdf 1
26 . . . . . . . . . . . . . . . . 14.4280 . . . . A 232 . N A 232 . HN parsed_2xdf 1
27 . . . . . . . . . . . . . . . . -6.0720 . . . . A 235 . N A 235 . HN parsed_2xdf 1
28 . . . . . . . . . . . . . . . . 3.7500 . . . . A 45 . N A 45 . HN parsed_2xdf 1
29 . . . . . . . . . . . . . . . . -0.7460 . . . . A 46 . N A 46 . HN parsed_2xdf 1
30 . . . . . . . . . . . . . . . . -22.3140 . . . . A 62 . N A 62 . HN parsed_2xdf 1
31 . . . . . . . . . . . . . . . . -0.4700 . . . . A 66 . N A 66 . HN parsed_2xdf 1
32 . . . . . . . . . . . . . . . . -11.6700 . . . . A 68 . N A 68 . HN parsed_2xdf 1
33 . . . . . . . . . . . . . . . . -20.1720 . . . . A 75 . N A 75 . HN parsed_2xdf 1
34 . . . . . . . . . . . . . . . . 20.3720 . . . . A 83 . N A 83 . HN parsed_2xdf 1
35 . . . . . . . . . . . . . . . . -13.0580 . . . . A 95 . N A 95 . HN parsed_2xdf 1
36 . . . . . . . . . . . . . . . . 7.0000 . . . . A 99 . N A 99 . HN parsed_2xdf 1
37 . . . . . . . . . . . . . . . . -9.8020 . . . . A 100 . N A 100 . HN parsed_2xdf 1
38 . . . . . . . . . . . . . . . . -2.7480 . . . . A 101 . N A 101 . HN parsed_2xdf 1
39 . . . . . . . . . . . . . . . . -6.8540 . . . . A 114 . N A 114 . HN parsed_2xdf 1
40 . . . . . . . . . . . . . . . . -7.0900 . . . . A 116 . N A 116 . HN parsed_2xdf 1
41 . . . . . . . . . . . . . . . . 5.1800 . . . . A 118 . N A 118 . HN parsed_2xdf 1
42 . . . . . . . . . . . . . . . . -12.1540 . . . . A 121 . N A 121 . HN parsed_2xdf 1
43 . . . . . . . . . . . . . . . . -7.3780 . . . . A 128 . N A 128 . HN parsed_2xdf 1
44 . . . . . . . . . . . . . . . . -8.9440 . . . . A 138 . N A 138 . HN parsed_2xdf 1
45 . . . . . . . . . . . . . . . . -5.4140 . . . . A 139 . N A 139 . HN parsed_2xdf 1
46 . . . . . . . . . . . . . . . . -5.0660 . . . . B 4 . N B 4 . HN parsed_2xdf 1
47 . . . . . . . . . . . . . . . . -20.7100 . . . . B 5 . N B 5 . HN parsed_2xdf 1
48 . . . . . . . . . . . . . . . . -0.2060 . . . . B 6 . N B 6 . HN parsed_2xdf 1
49 . . . . . . . . . . . . . . . . -7.8300 . . . . B 7 . N B 7 . HN parsed_2xdf 1
50 . . . . . . . . . . . . . . . . 23.4820 . . . . B 10 . N B 10 . HN parsed_2xdf 1
51 . . . . . . . . . . . . . . . . 21.2560 . . . . B 12 . N B 12 . HN parsed_2xdf 1
52 . . . . . . . . . . . . . . . . 26.2540 . . . . B 14 . N B 14 . HN parsed_2xdf 1
53 . . . . . . . . . . . . . . . . -0.4260 . . . . B 18 . N B 18 . HN parsed_2xdf 1
54 . . . . . . . . . . . . . . . . -3.7440 . . . . B 149 . N B 149 . HN parsed_2xdf 1
55 . . . . . . . . . . . . . . . . 12.6000 . . . . B 151 . N B 151 . HN parsed_2xdf 1
56 . . . . . . . . . . . . . . . . 5.0360 . . . . B 152 . N B 152 . HN parsed_2xdf 1
57 . . . . . . . . . . . . . . . . -5.5680 . . . . B 158 . N B 158 . HN parsed_2xdf 1
58 . . . . . . . . . . . . . . . . -13.6400 . . . . B 161 . N B 161 . HN parsed_2xdf 1
59 . . . . . . . . . . . . . . . . -3.2840 . . . . B 162 . N B 162 . HN parsed_2xdf 1
60 . . . . . . . . . . . . . . . . -14.2240 . . . . B 180 . N B 180 . HN parsed_2xdf 1
61 . . . . . . . . . . . . . . . . -20.7840 . . . . B 181 . N B 181 . HN parsed_2xdf 1
62 . . . . . . . . . . . . . . . . -10.1380 . . . . B 189 . N B 189 . HN parsed_2xdf 1
63 . . . . . . . . . . . . . . . . 11.1380 . . . . B 206 . N B 206 . HN parsed_2xdf 1
64 . . . . . . . . . . . . . . . . 0.5920 . . . . B 209 . N B 209 . HN parsed_2xdf 1
65 . . . . . . . . . . . . . . . . -5.7600 . . . . B 210 . N B 210 . HN parsed_2xdf 1
66 . . . . . . . . . . . . . . . . 14.6360 . . . . B 215 . N B 215 . HN parsed_2xdf 1
67 . . . . . . . . . . . . . . . . 25.0440 . . . . B 220 . N B 220 . HN parsed_2xdf 1
68 . . . . . . . . . . . . . . . . 15.6080 . . . . B 222 . N B 222 . HN parsed_2xdf 1
69 . . . . . . . . . . . . . . . . 26.7200 . . . . B 228 . N B 228 . HN parsed_2xdf 1
70 . . . . . . . . . . . . . . . . 11.0620 . . . . B 230 . N B 230 . HN parsed_2xdf 1
71 . . . . . . . . . . . . . . . . 14.4280 . . . . B 232 . N B 232 . HN parsed_2xdf 1
72 . . . . . . . . . . . . . . . . -6.0720 . . . . B 235 . N B 235 . HN parsed_2xdf 1
73 . . . . . . . . . . . . . . . . 3.7500 . . . . B 45 . N B 45 . HN parsed_2xdf 1
74 . . . . . . . . . . . . . . . . -0.7460 . . . . B 46 . N B 46 . HN parsed_2xdf 1
75 . . . . . . . . . . . . . . . . -22.3140 . . . . B 62 . N B 62 . HN parsed_2xdf 1
76 . . . . . . . . . . . . . . . . -0.4700 . . . . B 66 . N B 66 . HN parsed_2xdf 1
77 . . . . . . . . . . . . . . . . -11.6700 . . . . B 68 . N B 68 . HN parsed_2xdf 1
78 . . . . . . . . . . . . . . . . -20.1720 . . . . B 75 . N B 75 . HN parsed_2xdf 1
79 . . . . . . . . . . . . . . . . 20.3720 . . . . B 83 . N B 83 . HN parsed_2xdf 1
80 . . . . . . . . . . . . . . . . -13.0580 . . . . B 95 . N B 95 . HN parsed_2xdf 1
81 . . . . . . . . . . . . . . . . 7.0000 . . . . B 99 . N B 99 . HN parsed_2xdf 1
82 . . . . . . . . . . . . . . . . -9.8020 . . . . B 100 . N B 100 . HN parsed_2xdf 1
83 . . . . . . . . . . . . . . . . -2.7480 . . . . B 101 . N B 101 . HN parsed_2xdf 1
84 . . . . . . . . . . . . . . . . -6.8540 . . . . B 114 . N B 114 . HN parsed_2xdf 1
85 . . . . . . . . . . . . . . . . -7.0900 . . . . B 116 . N B 116 . HN parsed_2xdf 1
86 . . . . . . . . . . . . . . . . 5.1800 . . . . B 118 . N B 118 . HN parsed_2xdf 1
87 . . . . . . . . . . . . . . . . -12.1540 . . . . B 121 . N B 121 . HN parsed_2xdf 1
88 . . . . . . . . . . . . . . . . -7.3780 . . . . B 128 . N B 128 . HN parsed_2xdf 1
89 . . . . . . . . . . . . . . . . -8.9440 . . . . B 138 . N B 138 . HN parsed_2xdf 1
90 . . . . . . . . . . . . . . . . -5.4140 . . . . B 139 . N B 139 . HN parsed_2xdf 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 36 and name N and segid A )
( resid 36 and name HN and segid A ) -5.9700 0.2000
;
190 1 190 1 parsed_2xdf 1
2
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 36 and name N and segid B )
( resid 36 and name HN and segid B ) -5.9700 0.2000
;
513 1 513 1 parsed_2xdf 1
stop_
save_
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