NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
595724 |
2n7j   |
25807 | cing | 2-parsed | STAR | distance | hydrogen bond | simple |
data_2n7j_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n7j
_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_2n7j 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n7j
_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 2n7j "Master copy" parsed_2n7j
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n7j
_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 2n7j.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n7j 1
1 2n7j.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 0 parsed_2n7j 1
1 2n7j.mr . . XPLOR/CNS 3 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2n7j 1
1 2n7j.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2n7j 1
1 2n7j.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n7j 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n7j
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
remark hnha, phi coupling
remark theta = 0
remark A = 7.97
remark B = -1.26
remark C = 0.63
remark rmsd = 0.42
;
37 1 42 23 parsed_2n7j 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "assi (ACC and resi 1 and name O)(DON and resi 20 and name HN) -0.51" 2 1 2 68 parsed_2n7j 1
2 "assi (ACC and resi 3 and name O)(DON and resi 18 and name HN) -0.41" 3 1 3 68 parsed_2n7j 1
3 "assi (ACC and resi 4 and name O)(DON and resi 52 and name HN) -0.70" 4 1 4 68 parsed_2n7j 1
4 "assi (ACC and resi 5 and name O)(DON and resi 16 and name HN) -0.38" 5 1 5 68 parsed_2n7j 1
5 "assi (ACC and resi 6 and name O)(DON and resi 54 and name HN) -0.39" 6 1 6 68 parsed_2n7j 1
6 "assi (ACC and resi 7 and name O)(DON and resi 14 and name HN) -0.24" 7 1 7 68 parsed_2n7j 1
7 "assi (ACC and resi 8 and name O)(DON and resi 56 and name HN) -0.33" 8 1 8 68 parsed_2n7j 1
8 "assi (ACC and resi 12 and name O)(DON and resi 9 and name HN) -0.33" 9 1 9 68 parsed_2n7j 1
9 "assi (ACC and resi 14 and name O)(DON and resi 7 and name HN) -0.68" 10 1 10 68 parsed_2n7j 1
10 "assi (ACC and resi 16 and name O)(DON and resi 5 and name HN) -0.70" 11 1 11 68 parsed_2n7j 1
11 "assi (ACC and resi 18 and name O)(DON and resi 3 and name HN) -0.51" 12 1 12 68 parsed_2n7j 1
12 "assi (ACC and resi 20 and name O)(DON and resi 1 and name HT1) 0.000" 13 1 13 69 parsed_2n7j 1
13 "assi (ACC and resi 22 and name O)(DON and resi 26 and name HN) -0.18" 14 1 14 68 parsed_2n7j 1
14 "assi (ACC and resi 23 and name O)(DON and resi 27 and name HN) -0.54" 15 1 15 68 parsed_2n7j 1
15 "assi (ACC and resi 24 and name O)(DON and resi 28 and name HN) -0.13" 16 1 16 68 parsed_2n7j 1
16 "assi (ACC and resi 25 and name O)(DON and resi 29 and name HN) -0.21" 17 1 17 68 parsed_2n7j 1
17 "assi (ACC and resi 26 and name O)(DON and resi 30 and name HN) -0.64" 18 1 18 68 parsed_2n7j 1
18 "assi (ACC and resi 27 and name O)(DON and resi 31 and name HN) -0.72" 19 1 19 68 parsed_2n7j 1
19 "assi (ACC and resi 28 and name O)(DON and resi 32 and name HN) -0.19" 20 1 20 68 parsed_2n7j 1
20 "assi (ACC and resi 29 and name O)(DON and resi 33 and name HN) -0.27" 21 1 21 68 parsed_2n7j 1
21 "assi (ACC and resi 30 and name O)(DON and resi 34 and name HN) -0.49" 22 1 22 68 parsed_2n7j 1
22 "assi (ACC and resi 31 and name O)(DON and resi 35 and name HN) -0.31" 23 1 23 68 parsed_2n7j 1
23 "assi (ACC and resi 32 and name O)(DON and resi 36 and name HN) -0.60" 24 1 24 68 parsed_2n7j 1
24 "assi (ACC and resi 33 and name O)(DON and resi 37 and name HN) -0.19" 25 1 25 68 parsed_2n7j 1
25 "assi (ACC and resi 34 and name O)(DON and resi 39 and name HN) -0.34" 26 1 26 68 parsed_2n7j 1
26 "assi (ACC and resi 35 and name O)(DON and resi 38 and name HN) -0.05" 27 1 27 68 parsed_2n7j 1
27 "assi (ACC and resi 42 and name O)(DON and resi 55 and name HN) -0.51" 28 1 28 68 parsed_2n7j 1
28 "assi (ACC and resi 44 and name O)(DON and resi 53 and name HN) -0.61" 29 1 29 68 parsed_2n7j 1
29 "assi (ACC and resi 50 and name O)(DON and resi 4 and name HN) -0.42" 30 1 30 68 parsed_2n7j 1
30 "assi (ACC and resi 51 and name O)(DON and resi 46 and name HN) -0.36" 31 1 31 68 parsed_2n7j 1
31 "assi (ACC and resi 52 and name O)(DON and resi 6 and name HN) 0.000" 32 1 32 68 parsed_2n7j 1
32 "assi (ACC and resi 53 and name O)(DON and resi 44 and name HN) -0.53" 33 1 33 68 parsed_2n7j 1
33 "assi (ACC and resi 54 and name O)(DON and resi 8 and name HN) -0.70" 34 1 34 68 parsed_2n7j 1
34
;
assi (ACC and resi 55 and name O)(DON and resi 42 and name HN) -0.43
!remark hnha, phi coupling
!remark theta = 0
!remark A = 7.97
!remark B = -1.26
!remark C = 0.63
!remark rmsd = 0.42
coefficients 7.97 -1.26 0.63 0.00
;
35 1 44 33 parsed_2n7j 1
stop_
save_
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