NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
38672 |
1rvs   |
cing | 2-parsed | STAR | distance | general distance | simple | 35 |
data_1rvs_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1rvs
_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_1rvs 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1rvs
_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 1rvs "Master copy" parsed_1rvs
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1rvs
_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 1rvs.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1rvs 1
1 1rvs.mr . . STAR 2 "chemical shift" "Not applicable" "Not applicable" 0 parsed_1rvs 1
1 1rvs.mr . . XPLOR/CNS 3 distance "general distance" simple 35 parsed_1rvs 1
1 1rvs.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1rvs 1
1 1rvs.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1rvs 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1rvs
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1rvs 1
2 1 . . . parsed_1rvs 1
3 1 . . . parsed_1rvs 1
4 1 . . . parsed_1rvs 1
5 1 . . . parsed_1rvs 1
6 1 . . . parsed_1rvs 1
7 1 . . . parsed_1rvs 1
8 1 . . . parsed_1rvs 1
9 1 . . . parsed_1rvs 1
10 1 . . . parsed_1rvs 1
11 1 . . . parsed_1rvs 1
12 1 . . . parsed_1rvs 1
13 1 . . . parsed_1rvs 1
14 1 . . . parsed_1rvs 1
15 1 . . . parsed_1rvs 1
16 1 . . . parsed_1rvs 1
17 1 . . . parsed_1rvs 1
18 1 . . . parsed_1rvs 1
19 1 . . . parsed_1rvs 1
20 1 . . . parsed_1rvs 1
21 1 . . . parsed_1rvs 1
22 1 . . . parsed_1rvs 1
23 1 . . . parsed_1rvs 1
24 1 . . . parsed_1rvs 1
25 1 . . . parsed_1rvs 1
26 1 . . . parsed_1rvs 1
27 1 . . . parsed_1rvs 1
28 1 . . . parsed_1rvs 1
29 1 . . . parsed_1rvs 1
30 1 . . . parsed_1rvs 1
31 1 . . . parsed_1rvs 1
32 1 . . . parsed_1rvs 1
33 1 . . . parsed_1rvs 1
34 1 . . . parsed_1rvs 1
35 1 . . . parsed_1rvs 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 1 . cb parsed_1rvs 1
1 1 2 . . . . . . . . . 2 . n parsed_1rvs 1
2 1 1 . . . . . . . . . 1 . cg parsed_1rvs 1
2 1 2 . . . . . . . . . 1 . n parsed_1rvs 1
3 1 1 . . . . . . . . . 1 . cg parsed_1rvs 1
3 1 2 . . . . . . . . . 2 . n parsed_1rvs 1
4 1 1 . . . . . . . . . 2 . cb parsed_1rvs 1
4 1 2 . . . . . . . . . 3 . n parsed_1rvs 1
5 1 1 . . . . . . . . . 2 . cg2 parsed_1rvs 1
5 1 2 . . . . . . . . . 2 . n parsed_1rvs 1
6 1 1 . . . . . . . . . 2 . cg2 parsed_1rvs 1
6 1 2 . . . . . . . . . 3 . n parsed_1rvs 1
7 1 1 . . . . . . . . . 3 . cb parsed_1rvs 1
7 1 2 . . . . . . . . . 4 . n parsed_1rvs 1
8 1 1 . . . . . . . . . 3 . cg1 parsed_1rvs 1
8 1 2 . . . . . . . . . 3 . n parsed_1rvs 1
9 1 1 . . . . . . . . . 3 . cg1 parsed_1rvs 1
9 1 2 . . . . . . . . . 4 . n parsed_1rvs 1
10 1 1 . . . . . . . . . 3 . cg2 parsed_1rvs 1
10 1 2 . . . . . . . . . 3 . n parsed_1rvs 1
11 1 1 . . . . . . . . . 3 . cg2 parsed_1rvs 1
11 1 2 . . . . . . . . . 4 . n parsed_1rvs 1
12 1 1 . . . . . . . . . 3 . cd1 parsed_1rvs 1
12 1 2 . . . . . . . . . 3 . n parsed_1rvs 1
13 1 1 . . . . . . . . . 3 . cd1 parsed_1rvs 1
13 1 2 . . . . . . . . . 4 . n parsed_1rvs 1
14 1 1 . . . . . . . . . 4 . cb parsed_1rvs 1
14 1 2 . . . . . . . . . 5 . n parsed_1rvs 1
15 1 1 . . . . . . . . . 5 . cb parsed_1rvs 1
15 1 2 . . . . . . . . . 6 . n parsed_1rvs 1
16 1 1 . . . . . . . . . 6 . cb parsed_1rvs 1
16 1 2 . . . . . . . . . 7 . n parsed_1rvs 1
17 1 1 . . . . . . . . . 6 . cd1 parsed_1rvs 1
17 1 2 . . . . . . . . . 6 . n parsed_1rvs 1
18 1 1 . . . . . . . . . 6 . cd1 parsed_1rvs 1
18 1 2 . . . . . . . . . 7 . n parsed_1rvs 1
19 1 1 . . . . . . . . . 7 . cb parsed_1rvs 1
19 1 2 . . . . . . . . . 8 . n parsed_1rvs 1
20 1 1 . . . . . . . . . 7 . cg parsed_1rvs 1
20 1 2 . . . . . . . . . 7 . n parsed_1rvs 1
21 1 1 . . . . . . . . . 7 . cg parsed_1rvs 1
21 1 2 . . . . . . . . . 8 . n parsed_1rvs 1
22 1 1 . . . . . . . . . 7 . cd1 parsed_1rvs 1
22 1 2 . . . . . . . . . 7 . n parsed_1rvs 1
23 1 1 . . . . . . . . . 7 . cd1 parsed_1rvs 1
23 1 2 . . . . . . . . . 8 . n parsed_1rvs 1
24 1 1 . . . . . . . . . 7 . cd2 parsed_1rvs 1
24 1 2 . . . . . . . . . 7 . n parsed_1rvs 1
25 1 1 . . . . . . . . . 7 . cd2 parsed_1rvs 1
25 1 2 . . . . . . . . . 8 . n parsed_1rvs 1
26 1 1 . . . . . . . . . 9 . cb parsed_1rvs 1
26 1 2 . . . . . . . . . 9 . n parsed_1rvs 1
27 1 1 . . . . . . . . . 9 . cb parsed_1rvs 1
27 1 2 . . . . . . . . . 10 . n parsed_1rvs 1
28 1 1 . . . . . . . . . 9 . cg parsed_1rvs 1
28 1 2 . . . . . . . . . 9 . n parsed_1rvs 1
29 1 1 . . . . . . . . . 9 . cg parsed_1rvs 1
29 1 2 . . . . . . . . . 10 . n parsed_1rvs 1
30 1 1 . . . . . . . . . 9 . cd parsed_1rvs 1
30 1 2 . . . . . . . . . 8 . n parsed_1rvs 1
31 1 1 . . . . . . . . . 10 . cg parsed_1rvs 1
31 1 2 . . . . . . . . . 10 . n parsed_1rvs 1
32 1 1 . . . . . . . . . 4 . c parsed_1rvs 1
32 1 2 . . . . . . . . . 6 . n parsed_1rvs 1
33 1 1 . . . . . . . . . 7 . ca parsed_1rvs 1
33 1 2 . . . . . . . . . 6 . n parsed_1rvs 1
34 1 1 . . . . . . . . . 8 . c parsed_1rvs 1
34 1 2 . . . . . . . . . 10 . n parsed_1rvs 1
35 1 1 . . . . . . . . . 11 . ca parsed_1rvs 1
35 1 2 . . . . . . . . . 10 . n parsed_1rvs 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.3 2.97 3.63 parsed_1rvs 1
2 1 . . . . . 3.18 2.98 3.38 parsed_1rvs 1
3 1 . . . . . 3.5 3.5 8.0 parsed_1rvs 1
4 1 . . . . . 3.5 3.15 3.85 parsed_1rvs 1
5 1 . . . . . 3.6 3.24 3.96 parsed_1rvs 1
6 1 . . . . . 3.2 2.88 3.52 parsed_1rvs 1
7 1 . . . . . 3.4 3.06 3.74 parsed_1rvs 1
8 1 . . . . . 3.1 2.79 3.41 parsed_1rvs 1
9 1 . . . . . 4.0 3.60 4.40 parsed_1rvs 1
10 1 . . . . . 3.8 3.42 4.18 parsed_1rvs 1
11 1 . . . . . 3.1 2.79 3.41 parsed_1rvs 1
12 1 . . . . . 4.6 4.14 5.06 parsed_1rvs 1
13 1 . . . . . 5.7 5.13 6.27 parsed_1rvs 1
14 1 . . . . . 3.5 3.15 3.85 parsed_1rvs 1
15 1 . . . . . 3.3 2.97 3.63 parsed_1rvs 1
16 1 . . . . . 3.6 3.24 3.96 parsed_1rvs 1
17 1 . . . . . 4.2 3.78 4.62 parsed_1rvs 1
18 1 . . . . . 3.4 3.06 3.74 parsed_1rvs 1
19 1 . . . . . 3.8 3.60 4.00 parsed_1rvs 1
20 1 . . . . . 3.0 2.70 3.30 parsed_1rvs 1
21 1 . . . . . 4.6 4.14 5.06 parsed_1rvs 1
22 1 . . . . . 3.5 3.5 8.0 parsed_1rvs 1
23 1 . . . . . 3.5 3.5 8.0 parsed_1rvs 1
24 1 . . . . . 3.2 2.88 3.52 parsed_1rvs 1
25 1 . . . . . 5.5 4.95 6.05 parsed_1rvs 1
26 1 . . . . . 2.4 2.16 2.64 parsed_1rvs 1
27 1 . . . . . 3.7 3.33 4.07 parsed_1rvs 1
28 1 . . . . . 2.3 2.07 2.53 parsed_1rvs 1
29 1 . . . . . 3.5 3.5 8.0 parsed_1rvs 1
30 1 . . . . . 3.2 2.88 3.52 parsed_1rvs 1
31 1 . . . . . 2.8 2.8 8.0 parsed_1rvs 1
32 1 . . . . . 4.25 4.10 4.70 parsed_1rvs 1
33 1 . . . . . 4.56 4.44 5.18 parsed_1rvs 1
34 1 . . . . . 4.06 4.00 4.42 parsed_1rvs 1
35 1 . . . . . 5.0 4.5 6.8 parsed_1rvs 1
stop_
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 "tyr105 cb" 9 1 9 11 parsed_1rvs 1
2 "tyr105 cg" 12 1 12 11 parsed_1rvs 1
3 "thr106 cb" 16 1 16 11 parsed_1rvs 1
4 "thr106 cg" 19 1 19 11 parsed_1rvs 1
5 "i107 cb" 23 1 23 10 parsed_1rvs 1
6 "i107 cg1" 26 1 26 10 parsed_1rvs 1
7 "i107 cg2" 30 1 30 11 parsed_1rvs 1
8 "i107 cd" 34 1 34 10 parsed_1rvs 1
9 "a108 cb" 38 1 38 10 parsed_1rvs 1
10 "ala109 cb" 41 1 41 12 parsed_1rvs 1
11 "leu110 cb" 44 1 44 12 parsed_1rvs 1
12 "leu110 cd1" 47 1 47 13 parsed_1rvs 1
13 "leu 111 cb" 51 1 51 12 parsed_1rvs 1
14 "leu 111 cg" 54 1 54 12 parsed_1rvs 1
15 "leu 111 cd1" 58 1 58 15 parsed_1rvs 1
16 "leu 111 cd2" 62 1 62 14 parsed_1rvs 1
17 "pro 113 cb" 66 1 66 13 parsed_1rvs 1
18 "pro 113 cg" 70 1 70 13 parsed_1rvs 1
19 "pro 113 cd" 74 1 74 13 parsed_1rvs 1
20 "y 114 cg" 77 1 77 11 parsed_1rvs 1
21 "ala 108 co" 80 1 80 13 parsed_1rvs 1
22 "leu 111 ca" 83 1 83 13 parsed_1rvs 1
23 "s112 co" 86 1 86 10 parsed_1rvs 1
24 "s115 ca" 89 1 89 10 parsed_1rvs 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
;
# CARBON-NITROGEN DISTANCE RESTRAINTS IN CNS FORMAT
# FOR DETAILS SEE PRIMARY REFERENCE FOR DEPOSITED STRUCTURE AND
# JARONIEC,C.P.;MACPHEE,C.E.;ASTROF,N.S.;DOBSON,C.M.;
# GRIFFIN,R.G. PROC. NATL. ACAD. SCI. USA 2002, 99:16748-16753.
# AMINO ACID SEQUENCE: YTIAALLSPYS
# 1:Y105,2:T106,3:I107,4:A108,5:A109,6:L110,7:L111,8:S112,9:P113,10:Y114
# 11:S115
;
1 1 7 9 parsed_1rvs 1
stop_
save_
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