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 | subtype | item_count |
|
|
654654 |
6tt6   |
34470 | cing | 2-parsed | STAR | entry | full | 22 |
data_6tt6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6tt6
_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_6tt6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6tt6
_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 6tt6 "Master copy" parsed_6tt6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6tt6
_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 6tt6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6tt6 1
1 6tt6.mr . . XPLOR/CNS 2 distance NOE simple 20 parsed_6tt6 1
1 6tt6.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 2 parsed_6tt6 1
1 6tt6.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6tt6 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_6tt6
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER DE NOVO PROTEIN 23-DEC-19 6TT6
*TITLE SOLUTION STRUCTURE OF PD-I6 PEPTIDE INHIBITOR OF THE HUMAN PD-1
*TITLE 2 EXTRACELLULAR DOMAIN
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: PD-I6 PEPTIDE;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;
*SOURCE 4 ORGANISM_TAXID: 32630
*KEYWDS IMMUNOTHERAPY, HETEROCHIRAL PEPTIDE, COMPUTATIONAL DESIGN, DE NOVO
*KEYWDS 2 PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR S.GUARDIOLA,M.VARESE,J.GARCIA,E.GIRALT
*REVDAT 1 13-JAN-21 6TT6 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6tt6
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_6tt6 1
2 1 . . . parsed_6tt6 1
3 1 . . . parsed_6tt6 1
4 1 . . . parsed_6tt6 1
5 1 . . . parsed_6tt6 1
6 1 . . . parsed_6tt6 1
7 1 . . . parsed_6tt6 1
8 1 . . . parsed_6tt6 1
9 1 . . . parsed_6tt6 1
10 1 . . . parsed_6tt6 1
11 1 . . . parsed_6tt6 1
12 1 . . . parsed_6tt6 1
13 1 . . . parsed_6tt6 1
14 1 . . . parsed_6tt6 1
15 1 . . . parsed_6tt6 1
16 1 . . . parsed_6tt6 1
17 1 . . . parsed_6tt6 1
18 1 . . . parsed_6tt6 1
19 1 . . . parsed_6tt6 1
20 1 . . . parsed_6tt6 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 3 . HA parsed_6tt6 1
1 1 2 . . . . . . . . . 2 . HN parsed_6tt6 1
2 1 1 . . . . . . . . . 4 . HA parsed_6tt6 1
2 1 2 . . . . . . . . . 5 . HN parsed_6tt6 1
3 1 1 . . . . . . . . . 5 . HA parsed_6tt6 1
3 1 2 . . . . . . . . . 6 . HN parsed_6tt6 1
4 1 1 . . . . . . . . . 6 . HA parsed_6tt6 1
4 1 2 . . . . . . . . . 7 . HN parsed_6tt6 1
5 1 1 . . . . . . . . . 7 . HA parsed_6tt6 1
5 1 2 . . . . . . . . . 8 . HN parsed_6tt6 1
6 1 1 . . . . . . . . . 1 . HA parsed_6tt6 1
6 1 2 . . . . . . . . . 3 . HN parsed_6tt6 1
7 1 1 . . . . . . . . . 1 . HA parsed_6tt6 1
7 1 2 . . . . . . . . . 2 . HD1 parsed_6tt6 1
8 1 1 . . . . . . . . . 1 . HE3 parsed_6tt6 1
8 1 2 . . . . . . . . . 3 . HN parsed_6tt6 1
9 1 1 . . . . . . . . . 1 . HA parsed_6tt6 1
9 1 2 . . . . . . . . . 6 . HB+ parsed_6tt6 1
10 1 1 . . . . . . . . . 3 . HN parsed_6tt6 1
10 1 2 . . . . . . . . . 1 . HB+ parsed_6tt6 1
11 1 1 . . . . . . . . . 1 . HA parsed_6tt6 1
11 1 2 . . . . . . . . . 3 . HG++ parsed_6tt6 1
12 1 1 . . . . . . . . . 2 . HD1 parsed_6tt6 1
12 1 2 . . . . . . . . . 1 . HN parsed_6tt6 1
13 1 1 . . . . . . . . . 2 . HB+ parsed_6tt6 1
13 1 2 . . . . . . . . . 6 . HB+ parsed_6tt6 1
14 1 1 . . . . . . . . . 2 . HA parsed_6tt6 1
14 1 2 . . . . . . . . . 6 . HB+ parsed_6tt6 1
15 1 1 . . . . . . . . . 4 . HD+ parsed_6tt6 1
15 1 2 . . . . . . . . . 3 . HA parsed_6tt6 1
16 1 1 . . . . . . . . . 4 . HA parsed_6tt6 1
16 1 2 . . . . . . . . . 3 . HG++ parsed_6tt6 1
17 1 1 . . . . . . . . . 5 . HB+ parsed_6tt6 1
17 1 2 . . . . . . . . . 7 . HB+ parsed_6tt6 1
18 1 1 . . . . . . . . . 5 . HB+ parsed_6tt6 1
18 1 2 . . . . . . . . . 4 . HG+ parsed_6tt6 1
19 1 1 . . . . . . . . . 6 . HA parsed_6tt6 1
19 1 2 . . . . . . . . . 5 . HB+ parsed_6tt6 1
20 1 1 . . . . . . . . . 7 . HA parsed_6tt6 1
20 1 2 . . . . . . . . . 8 . HB+ parsed_6tt6 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.0 1.8 5.0 parsed_6tt6 1
2 1 . . . . . 2.5 1.8 4.5 parsed_6tt6 1
3 1 . . . . . 3.0 1.8 5.0 parsed_6tt6 1
4 1 . . . . . 3.0 1.8 5.0 parsed_6tt6 1
5 1 . . . . . 2.5 1.8 4.5 parsed_6tt6 1
6 1 . . . . . 2.5 1.8 4.5 parsed_6tt6 1
7 1 . . . . . 4.0 1.8 6.0 parsed_6tt6 1
8 1 . . . . . 4.0 1.8 6.0 parsed_6tt6 1
9 1 . . . . . 3.0 1.8 5.0 parsed_6tt6 1
10 1 . . . . . 3.0 1.8 5.0 parsed_6tt6 1
11 1 . . . . . 4.0 1.8 6.0 parsed_6tt6 1
12 1 . . . . . 4.0 1.8 6.0 parsed_6tt6 1
13 1 . . . . . 4.0 1.8 6.0 parsed_6tt6 1
14 1 . . . . . 3.0 1.8 5.0 parsed_6tt6 1
15 1 . . . . . 2.5 1.8 4.5 parsed_6tt6 1
16 1 . . . . . 4.0 1.8 6.0 parsed_6tt6 1
17 1 . . . . . 2.5 1.8 4.5 parsed_6tt6 1
18 1 . . . . . 2.5 1.8 4.5 parsed_6tt6 1
19 1 . . . . . 3.0 1.8 5.0 parsed_6tt6 1
20 1 . . . . . 4.0 1.8 6.0 parsed_6tt6 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 1: noes.tbl" 1 1 1 29 parsed_6tt6 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6tt6
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_6tt6 2
2 1 . . . parsed_6tt6 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 3 . O parsed_6tt6 2
1 1 2 . . . . . . . . . 6 . HN parsed_6tt6 2
2 1 1 . . . . . . . . . 3 . O parsed_6tt6 2
2 1 2 . . . . . . . . . 6 . N parsed_6tt6 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.3 1.5 2.5 parsed_6tt6 2
2 1 . . . . . 3.3 2.5 3.5 parsed_6tt6 2
stop_
save_
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