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 | item_count |
|
|
636719 |
6hka   |
27167 | cing | 2-parsed | STAR | dihedral angle | 39 |
data_6hka_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6hka
_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_6hka 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6hka
_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 6hka "Master copy" parsed_6hka
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6hka
_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 6hka.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6hka 1
1 6hka.mr . . XPLOR/CNS 2 distance NOE simple 313 parsed_6hka 1
1 6hka.mr . . XPLOR/CNS 3 distance NOE ambi 19 parsed_6hka 1
1 6hka.mr . . XPLOR/CNS 4 distance NOE simple 345 parsed_6hka 1
1 6hka.mr . . XPLOR/CNS 5 distance NOE ambi 47 parsed_6hka 1
1 6hka.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 39 parsed_6hka 1
1 6hka.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 0 parsed_6hka 1
1 6hka.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6hka 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6hka
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_6hka 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_6hka 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_6hka 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_6hka 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_6hka 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_6hka 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_6hka 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_6hka 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_6hka 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_6hka 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_6hka 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_6hka 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_6hka 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_6hka 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 88 . C . 89 . N . 89 . CA . 89 . C parsed_6hka 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 89 . C . 90 . N . 90 . CA . 90 . C parsed_6hka 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_6hka 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 91 . C . 92 . N . 92 . CA . 92 . C parsed_6hka 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 95 . C . 96 . N . 96 . CA . 96 . C parsed_6hka 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 96 . C . 97 . N . 97 . CA . 97 . C parsed_6hka 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 72 . N A 72 . CA A 72 . C A 73 . N parsed_6hka 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 73 . N A 73 . CA A 73 . C A 74 . N parsed_6hka 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 74 . N A 74 . CA A 74 . C A 75 . N parsed_6hka 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 75 . N A 75 . CA A 75 . C A 76 . N parsed_6hka 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 76 . N A 76 . CA A 76 . C A 77 . N parsed_6hka 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 77 . N A 77 . CA A 77 . C A 78 . N parsed_6hka 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 78 . N A 78 . CA A 78 . C A 79 . N parsed_6hka 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 79 . N A 79 . CA A 79 . C A 80 . N parsed_6hka 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 80 . N A 80 . CA A 80 . C A 81 . N parsed_6hka 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 81 . N A 81 . CA A 81 . C A 82 . N parsed_6hka 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 82 . N A 82 . CA A 82 . C A 83 . N parsed_6hka 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 83 . N A 83 . CA A 83 . C A 84 . N parsed_6hka 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 87 . N A 87 . CA A 87 . C A 88 . N parsed_6hka 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 88 . N A 88 . CA A 88 . C A 89 . N parsed_6hka 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 89 . N A 89 . CA A 89 . C A 90 . N parsed_6hka 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 90 . N A 90 . CA A 90 . C A 91 . N parsed_6hka 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 91 . N A 91 . CA A 91 . C A 92 . N parsed_6hka 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 96 . N A 96 . CA A 96 . C A 97 . N parsed_6hka 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 97 . N A 97 . CA A 97 . C A 98 . N parsed_6hka 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 "! phi restraints based on Ca-csi: >= 1 = alpha helica, partially 3Jhnha & alpha-helical specific noes" 2 1 2 103 parsed_6hka 1
2 "! psi" 62 98 65 7 parsed_6hka 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 "# Restraints file 2: D_1200011791_mr_P2.xplor-nih.V1" 1 1 1 52 parsed_6hka 1
stop_
save_
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