NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
32814 |
1h3z   |
5538 | cing | recoord | 2-parsed | STAR | dihedral angle | 28 |
data_1h3z_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1h3z
_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_1h3z 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1h3z
_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 1h3z "Master copy" parsed_1h3z
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1h3z
_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 1h3z.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1h3z 1
1 1h3z.mr . . XPLOR/CNS 2 "molecular system" "Not applicable" "Not applicable" 0 parsed_1h3z 1
1 1h3z.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 28 parsed_1h3z 1
1 1h3z.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1h3z 1
1 1h3z.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_1h3z 1
1 1h3z.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 0 parsed_1h3z 1
1 1h3z.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1h3z 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1h3z
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 123 . N . 123 . CA . 123 . CB . 123 . CG parsed_1h3z 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 127 . N . 127 . CA . 127 . CB . 127 . CG parsed_1h3z 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 133 . N . 133 . CA . 133 . CB . 133 . CG parsed_1h3z 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 136 . N . 136 . CA . 136 . CB . 136 . CG parsed_1h3z 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 138 . N . 138 . CA . 138 . CB . 138 . CG parsed_1h3z 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 142 . N . 142 . CA . 142 . CB . 142 . CG parsed_1h3z 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 157 . N . 157 . CA . 157 . CB . 157 . CG parsed_1h3z 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 164 . N . 164 . CA . 164 . CB . 164 . CG parsed_1h3z 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 165 . N . 165 . CA . 165 . CB . 165 . CG parsed_1h3z 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 170 . N . 170 . CA . 170 . CB . 170 . CG parsed_1h3z 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 172 . N . 172 . CA . 172 . CB . 172 . CG parsed_1h3z 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 175 . N . 175 . CA . 175 . CB . 175 . CG parsed_1h3z 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 176 . N . 176 . CA . 176 . CB . 176 . CG parsed_1h3z 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 177 . N . 177 . CA . 177 . CB . 177 . CG parsed_1h3z 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 183 . N . 183 . CA . 183 . CB . 183 . CG parsed_1h3z 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 194 . N . 194 . CA . 194 . CB . 194 . CG parsed_1h3z 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 195 . N . 195 . CA . 195 . CB . 195 . CG parsed_1h3z 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 205 . N . 205 . CA . 205 . CB . 205 . CG parsed_1h3z 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 209 . N . 209 . CA . 209 . CB . 209 . CG parsed_1h3z 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 211 . N . 211 . CA . 211 . CB . 211 . CG parsed_1h3z 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 218 . N . 218 . CA . 218 . CB . 218 . CG parsed_1h3z 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 221 . N . 221 . CA . 221 . CB . 221 . CG parsed_1h3z 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 121 . N . 121 . CA . 121 . CB . 121 . CG1 parsed_1h3z 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 129 . N . 129 . CA . 129 . CB . 129 . HB parsed_1h3z 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 143 . N . 143 . CA . 143 . CB . 143 . CG1 parsed_1h3z 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 144 . N . 144 . CA . 144 . CB . 144 . HB parsed_1h3z 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 152 . N . 152 . CA . 152 . CB . 152 . CG1 parsed_1h3z 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 167 . N . 167 . CA . 167 . CB . 167 . HB parsed_1h3z 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
;
NMR dihedral angle constraints
Chi1 angle constraints
;
4 1 6 25 parsed_1h3z 1
2 "Chi1 angle constraints Valines" 31 1 31 33 parsed_1h3z 1
stop_
save_
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