NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
493386 |
2l3s   |
cing | 2-parsed | STAR | distance | hydrogen bond | simple |
data_2l3s_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l3s
_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_2l3s 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l3s
_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 2l3s "Master copy" parsed_2l3s
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l3s
_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 2l3s.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l3s 1
1 2l3s.mr . . XPLOR/CNS 2 distance NOE simple 3050 parsed_2l3s 1
1 2l3s.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_2l3s 1
1 2l3s.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2l3s 1
1 2l3s.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2l3s 1
1 2l3s.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l3s 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2l3s
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
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
;
H-bonds:
assign (resid 5 and name n)(resid 5 and name hn)( resid 55 and name o)
;
1 1 3 70 parsed_2l3s 1
2 "assign (resid 55 and name n)(resid 55 and name hn) (resid 5 and name o)" 4 1 4 72 parsed_2l3s 1
3 "assign (resid 47 and name n)(resid 47 and name hn) (resid 39 and name o)" 5 1 5 72 parsed_2l3s 1
4 "assign (resid 39 and name n)(resid 39 and name hn) (resid 47 and name o)" 6 1 6 72 parsed_2l3s 1
5 "assign (resid 5 and name n)(resid 5 and name hn) (resid 55 and name o)" 7 1 7 70 parsed_2l3s 1
6 "assign (resid 106 and name n)(resid 106 and name hn) (resid 161 and name o)" 8 1 8 75 parsed_2l3s 1
7 "assign (resid 161 and name n)(resid 161 and name hn) (resid 106 and name o)" 9 1 9 75 parsed_2l3s 1
8 "assign (resid 108 and name n)(resid 108 and name hn) (resid 159 and name o)" 10 1 10 75 parsed_2l3s 1
9 "assign (resid 159 and name n)(resid 159 and name hn) (resid 108 and name o)" 11 1 11 75 parsed_2l3s 1
10 "assign (resid 109 and name n)(resid 109 and name hn) (resid 129 and name o)" 12 1 12 75 parsed_2l3s 1
11 "assign (resid 131 and name n)(resid 131 and name hn) (resid 107 and name o)" 13 1 13 75 parsed_2l3s 1
12 "assign (resid 107 and name n)(resid 107 and name hn) (resid 131 and name o)" 14 1 14 75 parsed_2l3s 1
13 "assign (resid 133 and name n)(resid 133 and name hn) (resid 105 and name o)" 15 1 15 75 parsed_2l3s 1
14 "assign (resid 105 and name n)(resid 105 and name hn) (resid 133 and name o)" 16 1 16 75 parsed_2l3s 1
15 "assign (resid 132 and name n)(resid 132 and name hn) (resid 145 and name o)" 17 1 17 75 parsed_2l3s 1
16 "assign (resid 145 and name n)(resid 145 and name hn) (resid 132 and name o)" 18 1 18 75 parsed_2l3s 1
17 "assign (resid 134 and name n)(resid 134 and name hn) (resid 143 and name o)" 19 1 19 75 parsed_2l3s 1
18 "assign (resid 135 and name n)(resid 135 and name hn) (resid 143 and name o)" 20 1 20 75 parsed_2l3s 1
19 "assign (resid 143 and name n)(resid 143 and name hn) (resid 135 and name o)" 21 1 21 75 parsed_2l3s 1
20 "assign (resid 153 and name n)(resid 153 and name hn) (resid 142 and name o)" 22 1 22 75 parsed_2l3s 1
21 "assign (resid 144 and name n)(resid 144 and name hn) (resid 151 and name o)" 23 1 23 75 parsed_2l3s 1
22 "assign (resid 151 and name n)(resid 151 and name hn) (resid 144 and name o)" 24 1 24 75 parsed_2l3s 1
23 "assign (resid 146 and name n)(resid 146 and name hn) (resid 149 and name o)" 25 1 25 75 parsed_2l3s 1
24 "assign (resid 149 and name n)(resid 149 and name hn) (resid 146 and name o)" 26 1 26 75 parsed_2l3s 1
25 "assign (resid 4 and name n)(resid 4 and name hn) (resid 26 and name o)" 27 1 27 70 parsed_2l3s 1
26 "assign (resid 26 and name n)(resid 26 and name hn) (resid 4 and name o)" 28 1 28 71 parsed_2l3s 1
27 "assign (resid 6 and name n)(resid 6 and name hn) (resid 24 and name o)" 29 1 29 70 parsed_2l3s 1
28 "assign (resid 10 and name n)(resid 10 and name hn) (resid 20 and name o)" 30 1 30 72 parsed_2l3s 1
29 "assign (resid 18 and name n)(resid 18 and name hn) (resid 48 and name o)" 31 1 31 72 parsed_2l3s 1
30 "assign (resid 27 and name n)(resid 27 and name hn) (resid 40 and name o)" 32 1 32 72 parsed_2l3s 1
31 "assign (resid 40 and name n)(resid 40 and name hn) (resid 27 and name o)" 33 1 33 72 parsed_2l3s 1
32 "assign (resid 28 and name n)(resid 28 and name hn) (resid 1 and name o)" 34 1 34 71 parsed_2l3s 1
33 "assign (resid 30 and name n)(resid 30 and name hn) (resid 38 and name o)" 35 1 35 72 parsed_2l3s 1
34 "assign (resid 38 and name n)(resid 38 and name hn) (resid 30 and name o)" 36 1 36 72 parsed_2l3s 1
35 "assign (resid 37 and name n)(resid 37 and name hn) (resid 49 and name o)" 37 1 37 72 parsed_2l3s 1
36 "assign (resid 41 and name n)(resid 41 and name hn) (resid 45 and name o)" 38 1 38 72 parsed_2l3s 1
37 "assign (resid 44 and name n)(resid 44 and name hn) (resid 41 and name o)" 39 1 39 72 parsed_2l3s 1
38 "assign (resid 47 and name n)(resid 47 and name hn) (resid 39 and name o)" 40 1 40 72 parsed_2l3s 1
39 "assign (resid 49 and name n)(resid 49 and name hn) (resid 36 and name o)" 41 1 41 72 parsed_2l3s 1
stop_
save_
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