NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
43098 |
2a37   |
5923 | cing | 2-parsed | STAR | dihedral angle | 44 |
data_2a37_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2a37
_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_2a37 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2a37
_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 2a37 "Master copy" parsed_2a37
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2a37
_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 2a37.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2a37 1
1 2a37.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 216 parsed_2a37 1
1 2a37.mr . . XPLOR/CNS 3 "chemical shift anisotropy" "Not applicable" "Not applicable" 0 parsed_2a37 1
1 2a37.mr . . XPLOR/CNS 4 distance NOE simple 737 parsed_2a37 1
1 2a37.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 44 parsed_2a37 1
1 2a37.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 0 parsed_2a37 1
1 2a37.mr . . XPLOR/CNS 7 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2a37 1
1 2a37.mr . . STAR 8 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2a37 1
1 2a37.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2a37 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2a37
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.00 -76.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2a37 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.00 163.00 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2a37 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -34.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2a37 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.00 152.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2a37 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.00 -110.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2a37 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.00 177.00 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2a37 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.00 -81.00 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2a37 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.00 161.00 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2a37 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.00 -76.00 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2a37 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.00 148.00 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2a37 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.00 -56.00 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2a37 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.00 174.00 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2a37 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -187.00 -55.00 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2a37 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.00 202.00 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2a37 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.00 -59.00 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2a37 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 139.00 187.00 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2a37 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.00 -41.00 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2a37 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.00 163.00 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2a37 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.00 -54.00 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2a37 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.00 168.00 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2a37 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.00 -77.00 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2a37 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.00 154.00 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2a37 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -36.00 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2a37 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.00 -1.00 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2a37 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.00 -50.00 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2a37 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.00 172.00 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2a37 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -181.00 -45.00 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2a37 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.00 172.00 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2a37 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.00 -71.00 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2a37 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.00 177.00 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2a37 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.00 -78.00 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2a37 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.00 142.00 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2a37 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 64.00 104.00 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2a37 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.00 29.00 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2a37 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.00 -77.00 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2a37 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.00 171.00 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2a37 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.00 -102.00 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_2a37 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.00 176.00 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_2a37 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.00 -59.00 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_2a37 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.00 179.00 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_2a37 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.00 -57.00 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2a37 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 13.00 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2a37 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.00 -101.00 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2a37 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.00 186.00 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_2a37 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" 2 1 2 28 parsed_2a37 1
stop_
save_
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