NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
30257 |
1c6s   |
cing | 2-parsed | STAR | dihedral angle | 28 |
data_1c6s_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1c6s
_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_1c6s 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1c6s
_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 1c6s "Master copy" parsed_1c6s
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1c6s
_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 1c6s.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1c6s 1
1 1c6s.mr . . XPLOR/CNS 2 distance NOE simple 2300 parsed_1c6s 1
1 1c6s.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 28 parsed_1c6s 1
1 1c6s.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_1c6s 1
1 1c6s.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1c6s 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1c6s
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162 -102 . . 3 . HN . 3 . N . 3 . CA . 3 . HA parsed_1c6s 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159 -99 . . 4 . HN . 4 . N . 4 . CA . 4 . HA parsed_1c6s 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153 -93 . . 5 . HN . 5 . N . 5 . CA . 5 . HA parsed_1c6s 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159 -99 . . 7 . HN . 7 . N . 7 . CA . 7 . HA parsed_1c6s 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -108 . . 8 . HN . 8 . N . 8 . CA . 8 . HA parsed_1c6s 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166 -106 . . 9 . HN . 9 . N . 9 . CA . 9 . HA parsed_1c6s 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162 -102 . . 11 . HN . 11 . N . 11 . CA . 11 . HA parsed_1c6s 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 35 . HN . 35 . N . 35 . CA . 35 . HA parsed_1c6s 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151 -91 . . 38 . HN . 38 . N . 38 . CA . 38 . HA parsed_1c6s 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . . 39 . HN . 39 . N . 39 . CA . 39 . HA parsed_1c6s 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163 -103 . . 43 . HN . 43 . N . 43 . CA . 43 . HA parsed_1c6s 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142 -82 . . 45 . HN . 45 . N . 45 . CA . 45 . HA parsed_1c6s 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -100 . . 46 . HN . 46 . N . 46 . CA . 46 . HA parsed_1c6s 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161 -101 . . 47 . HN . 47 . N . 47 . CA . 47 . HA parsed_1c6s 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . . 58 . HN . 58 . N . 58 . CA . 58 . HA parsed_1c6s 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163 -103 . . 64 . HN . 64 . N . 64 . CA . 64 . HA parsed_1c6s 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159 -99 . . 66 . HN . 66 . N . 66 . CA . 66 . HA parsed_1c6s 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164 -104 . . 68 . HN . 68 . N . 68 . CA . 68 . HA parsed_1c6s 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157 -97 . . 71 . HN . 71 . N . 71 . CA . 71 . HA parsed_1c6s 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -100 . . 72 . HN . 72 . N . 72 . CA . 72 . HA parsed_1c6s 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163 -103 . . 73 . HN . 73 . N . 73 . CA . 73 . HA parsed_1c6s 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158 -98 . . 74 . HN . 74 . N . 74 . CA . 74 . HA parsed_1c6s 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153 -93 . . 75 . HN . 75 . N . 75 . CA . 75 . HA parsed_1c6s 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 78 . HN . 78 . N . 78 . CA . 78 . HA parsed_1c6s 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156 -96 . . 79 . HN . 79 . N . 79 . CA . 79 . HA parsed_1c6s 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162 -102 . . 80 . HN . 80 . N . 80 . CA . 80 . HA parsed_1c6s 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147 -87 . . 82 . HN . 82 . N . 82 . CA . 82 . HA parsed_1c6s 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159 -99 . . 85 . HN . 85 . N . 85 . CA . 85 . HA parsed_1c6s 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 for the phi angles" 3 1 3 46 parsed_1c6s 1
stop_
save_
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