NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
51368 |
2k6t   |
16901 | cing | 2-parsed | STAR | dihedral angle | 53 |
data_2k6t_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k6t
_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_2k6t 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k6t
_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 2k6t "Master copy" parsed_2k6t
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k6t
_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 2k6t.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k6t 1
1 2k6t.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 26 parsed_2k6t 1
1 2k6t.mr . . XPLOR/CNS 3 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2k6t 1
1 2k6t.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 53 parsed_2k6t 1
1 2k6t.mr . . ARIA 5 distance NOE simple 0 parsed_2k6t 1
1 2k6t.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k6t 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2k6t
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.61 -24.61 . . 112 . C . 113 . N . 113 . CA . 113 . C parsed_2k6t 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.22 -31.22 . . 113 . C . 114 . N . 114 . CA . 114 . C parsed_2k6t 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.27 -21.27 . . 114 . C . 115 . N . 115 . CA . 115 . C parsed_2k6t 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.36 -28.36 . . 115 . C . 116 . N . 116 . CA . 116 . C parsed_2k6t 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.42 -23.42 . . 116 . C . 117 . N . 117 . CA . 117 . C parsed_2k6t 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.27 -23.27 . . 122 . C . 123 . N . 123 . CA . 123 . C parsed_2k6t 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.41 -26.41 . . 123 . C . 124 . N . 124 . CA . 124 . C parsed_2k6t 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.88 -21.88 . . 124 . C . 125 . N . 125 . CA . 125 . C parsed_2k6t 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.41 -24.41 . . 125 . C . 126 . N . 126 . CA . 126 . C parsed_2k6t 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.83 -25.83 . . 126 . C . 127 . N . 127 . CA . 127 . C parsed_2k6t 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.85 -49.85 . . 127 . C . 128 . N . 128 . CA . 128 . C parsed_2k6t 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -25 . . 128 . C . 129 . N . 129 . CA . 129 . C parsed_2k6t 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.34 -23.34 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2k6t 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.85 -23.85 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2k6t 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.12 -24.12 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2k6t 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.64 -21.64 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2k6t 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.12 -22.12 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2k6t 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.55 -22.55 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2k6t 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.67 -23.67 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2k6t 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.28 -26.28 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2k6t 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.37 -25.37 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_2k6t 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.37 -25.37 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2k6t 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.54 -0.54 . . 112 . N . 112 . CA . 112 . C . 113 . N parsed_2k6t 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.85 6.15 . . 113 . N . 113 . CA . 113 . C . 114 . N parsed_2k6t 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.22 -0.22 . . 114 . N . 114 . CA . 114 . C . 115 . N parsed_2k6t 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.89 -4.89 . . 115 . N . 115 . CA . 115 . C . 116 . N parsed_2k6t 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.34 1.66 . . 116 . N . 116 . CA . 116 . C . 117 . N parsed_2k6t 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.87 4.13 . . 122 . N . 122 . CA . 122 . C . 123 . N parsed_2k6t 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.83 -2.83 . . 123 . N . 123 . CA . 123 . C . 124 . N parsed_2k6t 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.10 -1.10 . . 124 . N . 124 . CA . 124 . C . 125 . N parsed_2k6t 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.35 -0.35 . . 125 . N . 125 . CA . 125 . C . 126 . N parsed_2k6t 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.73 8.27 . . 126 . N . 126 . CA . 126 . C . 127 . N parsed_2k6t 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.50 0.50 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2k6t 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.49 -2.49 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2k6t 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.20 -2.20 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2k6t 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.14 -4.14 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2k6t 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.85 1.15 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2k6t 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.64 -2.64 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2k6t 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.56 -1.56 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2k6t 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.37 -1.37 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2k6t 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.46 -0.46 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2k6t 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 125 . N . 125 . CA . 125 . CB . 125 . CG parsed_2k6t 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 126 . N . 126 . CA . 126 . CB . 126 . CG parsed_2k6t 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 128 . N . 128 . CA . 128 . CB . 128 . CG parsed_2k6t 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . . 31 . N . 31 . CA . 31 . CB . 31 . CG parsed_2k6t 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 32 . N . 32 . CA . 32 . CB . 32 . CG parsed_2k6t 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 33 . N . 33 . CA . 33 . CB . 33 . CG parsed_2k6t 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 37 . N . 37 . CA . 37 . CB . 37 . CG parsed_2k6t 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 40 . N . 40 . CA . 40 . CB . 40 . CG parsed_2k6t 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 44 . N . 44 . CA . 44 . CB . 44 . CG parsed_2k6t 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 220.00 . . 39 . N . 39 . CA . 39 . CB . 39 . CG1 parsed_2k6t 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 220.00 . . 43 . N . 43 . CA . 43 . CB . 43 . CG1 parsed_2k6t 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 220.00 . . 45 . N . 45 . CA . 45 . CB . 45 . CG1 parsed_2k6t 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "restraints dihedral" 1 1 1 22 parsed_2k6t 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 end# 167 1 167 4 parsed_2k6t 1
stop_
save_
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