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 |
|
|
558221 |
2m2g   |
18913 | cing | 2-parsed | STAR | dihedral angle | 36 |
data_2m2g_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m2g
_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_2m2g 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m2g
_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 2m2g "Master copy" parsed_2m2g
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m2g
_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 2m2g.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m2g 1
1 2m2g.mr . . XPLOR/CNS 2 distance NOE simple 101 parsed_2m2g 1
1 2m2g.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 36 parsed_2m2g 1
1 2m2g.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2m2g 1
1 2m2g.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m2g 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2m2g
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.6 -36.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2m2g 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.6 168.0 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2m2g 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.0 -58.4 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2m2g 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 79.3 163.9 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2m2g 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.5 -62.5 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2m2g 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.2 178.6 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2m2g 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.6 -96.6 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2m2g 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.2 176.4 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2m2g 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 5 . N . 5 . CA . 5 . CB . 5 . SG parsed_2m2g 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.9 -106.9 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2m2g 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.7 160.9 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2m2g 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.2 -104.8 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2m2g 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 161.8 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2m2g 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . N . 7 . CA . 7 . CB . 7 . SG parsed_2m2g 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -191.2 -56.4 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2m2g 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.6 172.8 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2m2g 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 90.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2m2g 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 9 . N . 9 . CA . 9 . CB . 9 . CG parsed_2m2g 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 63.8 106.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2m2g 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.4 18.0 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2m2g 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.6 -50.2 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2m2g 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.7 176.3 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2m2g 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.9 -78.7 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2m2g 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.5 163.9 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2m2g 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . N . 12 . CA . 12 . CB . 12 . SG parsed_2m2g 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.5 -89.3 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2m2g 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.3 171.1 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2m2g 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -191.8 -86.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2m2g 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.0 179.4 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2m2g 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . N . 14 . CA . 14 . CB . 14 . SG parsed_2m2g 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.0 -72.4 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2m2g 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.5 165.7 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2m2g 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -66.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2m2g 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.1 171.1 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2m2g 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 90.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2m2g 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 18 . N . 18 . CA . 18 . CB . 18 . CG parsed_2m2g 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 angles" 1 1 1 17 parsed_2m2g 1
stop_
save_
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