NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | item_count |
|
|
30127 |
1bym   |
cing | recoord | dress | 2-parsed | STAR | dihedral angle | 21 |
data_1bym_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1bym
_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_1bym 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1bym
_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 1bym "Master copy" parsed_1bym
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1bym
_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 1bym.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1bym 1
1 1bym.mr . . XPLOR/CNS 2 distance NOE simple 1086 parsed_1bym 1
1 1bym.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1bym 1
1 1bym.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 21 parsed_1bym 1
1 1bym.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1bym 1
1 1bym.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 0 parsed_1bym 1
1 1bym.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1bym 1
1 1bym.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1bym 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1bym
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 177 . c . 178 . n . 178 . ca . 178 . c parsed_1bym 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 178 . c . 179 . n . 179 . ca . 179 . c parsed_1bym 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 179 . c . 180 . n . 180 . ca . 180 . c parsed_1bym 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 180 . c . 181 . n . 181 . ca . 181 . c parsed_1bym 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 181 . c . 182 . n . 182 . ca . 182 . c parsed_1bym 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 183 . c . 184 . n . 184 . ca . 184 . c parsed_1bym 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 216 . c . 217 . n . 217 . ca . 217 . c parsed_1bym 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 214 . c . 215 . n . 215 . ca . 215 . c parsed_1bym 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 215 . c . 216 . n . 216 . ca . 216 . c parsed_1bym 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 162 . c . 163 . n . 163 . ca . 163 . c parsed_1bym 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -120.0 . . 165 . c . 166 . n . 166 . ca . 166 . c parsed_1bym 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -120.0 . . 192 . c . 193 . n . 193 . ca . 193 . c parsed_1bym 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -120.0 . . 194 . c . 195 . n . 195 . ca . 195 . c parsed_1bym 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 197 . c . 198 . n . 198 . ca . 198 . c parsed_1bym 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 200 . c . 201 . n . 201 . ca . 201 . c parsed_1bym 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -120.0 . . 203 . c . 204 . n . 204 . ca . 204 . c parsed_1bym 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -120.0 . . 204 . c . 205 . n . 205 . ca . 205 . c parsed_1bym 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -120.0 . . 210 . c . 211 . n . 211 . ca . 211 . c parsed_1bym 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 221 . c . 222 . n . 222 . ca . 222 . c parsed_1bym 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -120.0 . . 222 . c . 223 . n . 223 . ca . 223 . c parsed_1bym 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 223 . c . 224 . n . 224 . ca . 224 . c parsed_1bym 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 dihedral angles generated from measured scalar coupling constants (in total 26)
! J between 8-9 Hz was restrained as -120 +/- 30 degree; J > 9 Hz as -140 +/- 20 degree;
! J < 6 Hz -60 +/- 30 degree
! 178 (residue number)
;
1 1 4 28 parsed_1bym 1
2 "! 179" 7 2 7 12 parsed_1bym 1
3 "! 180" 10 2 10 11 parsed_1bym 1
4 "! 181" 13 2 13 12 parsed_1bym 1
5 "! 182" 16 2 16 12 parsed_1bym 1
6 "! 184" 19 2 19 12 parsed_1bym 1
7 "! 217" 22 2 22 11 parsed_1bym 1
8 "! 215" 25 2 25 11 parsed_1bym 1
9 "! 216" 28 2 28 11 parsed_1bym 1
10 "! 163" 31 2 31 11 parsed_1bym 1
11 "! 166" 34 2 34 11 parsed_1bym 1
12 "! 193" 37 2 37 12 parsed_1bym 1
13 "! 195" 40 2 40 12 parsed_1bym 1
14 "! 198" 43 2 43 11 parsed_1bym 1
15 "! 201" 46 2 46 11 parsed_1bym 1
16 "! 204" 49 2 49 12 parsed_1bym 1
17 "! 205" 52 2 52 12 parsed_1bym 1
18 "! 211" 55 2 55 11 parsed_1bym 1
19 "! 222" 58 2 58 11 parsed_1bym 1
20 "! 223" 61 2 61 12 parsed_1bym 1
21 "! 224" 64 2 64 11 parsed_1bym 1
stop_
save_
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