NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | item_count |
|
|
36470 |
1nm7   |
cing | recoord | 2-parsed | STAR | dihedral angle | 20 |
data_1nm7_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1nm7
_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_1nm7 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1nm7
_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 1nm7 "Master copy" parsed_1nm7
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1nm7
_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 1nm7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1nm7 1
1 1nm7.mr . . XPLOR/CNS 2 distance NOE ambi 1463 parsed_1nm7 1
1 1nm7.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 38 parsed_1nm7 1
1 1nm7.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_1nm7 1
1 1nm7.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_1nm7 1
1 1nm7.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1nm7 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1nm7
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 311 . N . 311 . CA . 311 . C . 312 . N parsed_1nm7 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 312 . N . 312 . CA . 312 . C . 313 . N parsed_1nm7 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 313 . N . 313 . CA . 313 . C . 314 . N parsed_1nm7 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 324 . N . 324 . CA . 324 . C . 325 . N parsed_1nm7 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 325 . N . 325 . CA . 325 . C . 326 . N parsed_1nm7 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 326 . N . 326 . CA . 326 . C . 327 . N parsed_1nm7 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 327 . N . 327 . CA . 327 . C . 328 . N parsed_1nm7 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 328 . N . 328 . CA . 328 . C . 329 . N parsed_1nm7 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 329 . N . 329 . CA . 329 . C . 330 . N parsed_1nm7 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 333 . N . 333 . CA . 333 . C . 334 . N parsed_1nm7 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 334 . N . 334 . CA . 334 . C . 335 . N parsed_1nm7 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 335 . N . 335 . CA . 335 . C . 336 . N parsed_1nm7 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 336 . N . 336 . CA . 336 . C . 337 . N parsed_1nm7 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 348 . N . 348 . CA . 348 . C . 349 . N parsed_1nm7 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 349 . N . 349 . CA . 349 . C . 350 . N parsed_1nm7 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 350 . N . 350 . CA . 350 . C . 351 . N parsed_1nm7 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 351 . N . 351 . CA . 351 . C . 352 . N parsed_1nm7 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 352 . N . 352 . CA . 352 . C . 353 . N parsed_1nm7 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 353 . N . 353 . CA . 353 . C . 354 . N parsed_1nm7 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 354 . N . 354 . CA . 354 . C . 355 . N parsed_1nm7 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
;
Psi:
dihedral angle file generated by Csi2Aria.py
CSI derived psi restraint:
;
1 1 5 29 parsed_1nm7 1
2 "CSI derived psi restraint:" 12 1 12 29 parsed_1nm7 1
3 "CSI derived psi restraint:" 19 1 19 29 parsed_1nm7 1
4 "CSI derived psi restraint:" 26 1 26 29 parsed_1nm7 1
5 "CSI derived psi restraint:" 33 1 33 29 parsed_1nm7 1
6 "CSI derived psi restraint:" 40 1 40 29 parsed_1nm7 1
7 "CSI derived psi restraint:" 47 1 47 29 parsed_1nm7 1
8 "CSI derived psi restraint:" 54 1 54 29 parsed_1nm7 1
9 "CSI derived psi restraint:" 61 1 61 29 parsed_1nm7 1
10 "CSI derived psi restraint:" 68 1 68 29 parsed_1nm7 1
11 "CSI derived psi restraint:" 75 1 75 29 parsed_1nm7 1
12 "CSI derived psi restraint:" 82 1 82 29 parsed_1nm7 1
13 "CSI derived psi restraint:" 89 1 89 29 parsed_1nm7 1
14 "CSI derived psi restraint:" 96 1 96 29 parsed_1nm7 1
15 "CSI derived psi restraint:" 103 1 103 29 parsed_1nm7 1
16 "CSI derived psi restraint:" 110 1 110 29 parsed_1nm7 1
17 "CSI derived psi restraint:" 117 1 117 29 parsed_1nm7 1
18 "CSI derived psi restraint:" 124 1 124 29 parsed_1nm7 1
19 "CSI derived psi restraint:" 131 1 131 29 parsed_1nm7 1
20 "CSI derived psi restraint:" 138 1 138 29 parsed_1nm7 1
stop_
save_
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