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 |
|
|
545561 |
2lny   |
18184 | cing | 2-parsed | STAR | dihedral angle | 21 |
data_2lny_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lny
_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_2lny 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lny
_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 2lny "Master copy" parsed_2lny
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lny
_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 2lny.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lny 1
1 2lny.mr . . XPLOR/CNS 2 distance NOE simple 9 parsed_2lny 1
1 2lny.mr . . XPLOR/CNS 3 distance "general distance" simple 5 parsed_2lny 1
1 2lny.mr . . XPLOR/CNS 4 distance NOE simple 2 parsed_2lny 1
1 2lny.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 5 parsed_2lny 1
1 2lny.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 21 parsed_2lny 1
1 2lny.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lny 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lny
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.950 -103.950 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2lny 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.220 -116.220 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2lny 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.330 -119.330 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2lny 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.690 -116.690 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2lny 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2lny 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -40.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2lny 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.910 -117.910 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2lny 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.420 -143.420 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2lny 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.750 -127.750 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2lny 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.590 -116.590 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2lny 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -100 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2lny 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.650 167.650 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2lny 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.290 173.290 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2lny 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.070 173.070 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2lny 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.420 178.420 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2lny 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2lny 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2lny 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.330 185.330 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2lny 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.220 180.220 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2lny 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.290 135.290 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2lny 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95 175 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2lny 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
;
! { Dihedral Angle Restraints }
!phi C(i-1)-N(i)-CA(i)-C(i)
A2
;
1 1 4 6 parsed_2lny 1
2 A3 11 1 11 6 parsed_2lny 1
3 V4 18 1 18 6 parsed_2lny 1
4 A5 25 1 25 6 parsed_2lny 1
5 G6 32 1 32 6 parsed_2lny 1
6 L7 39 1 39 6 parsed_2lny 1
7 Y8 46 1 46 6 parsed_2lny 1
8 G9 53 1 53 6 parsed_2lny 1
9 L10 60 1 60 7 parsed_2lny 1
10 G11 67 1 67 7 parsed_2lny 1
11 E12 74 1 74 7 parsed_2lny 1
12
;
!psi N(i)-CA(i)-C(i)-N(i+1)
A2
;
83 1 85 6 parsed_2lny 1
13 A3 92 1 92 6 parsed_2lny 1
14 V4 99 1 99 6 parsed_2lny 1
15 A5 106 1 106 6 parsed_2lny 1
16 G6 113 1 113 6 parsed_2lny 1
17 L7 120 1 120 6 parsed_2lny 1
18 G9 127 1 127 6 parsed_2lny 1
19 L10 134 1 134 7 parsed_2lny 1
20 G11 141 1 141 7 parsed_2lny 1
21 E12 148 1 148 7 parsed_2lny 1
stop_
save_
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