Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
37778 | 1q6a RC | 5824 | cing | 2-parsed | STAR | distance | NOE | simple | 10 |
data_1q6a_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1q6a
_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_1q6a 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1q6a
_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 1q6a "Master copy" parsed_1q6a
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1q6a
_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 1q6a.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1q6a 1
1 1q6a.mr . . XPLOR/CNS 2 distance NOE simple 90 parsed_1q6a 1
1 1q6a.mr . . XPLOR/CNS 3 distance NOE simple 192 parsed_1q6a 1
1 1q6a.mr . . XPLOR/CNS 4 distance NOE ambi 81 parsed_1q6a 1
1 1q6a.mr . . XPLOR/CNS 5 distance NOE simple 10 parsed_1q6a 1
1 1q6a.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 0 parsed_1q6a 1
1 1q6a.mr . . XPLOR/CNS 7 distance NOE simple 0 parsed_1q6a 1
1 1q6a.mr . . XPLOR/CNS 8 distance NOE ambi 0 parsed_1q6a 1
1 1q6a.mr . . XPLOR/CNS 9 distance NOE simple 0 parsed_1q6a 1
1 1q6a.mr . . XPLOR/CNS 10 "chemical shift" "Not applicable" "Not applicable" 0 parsed_1q6a 1
1 1q6a.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_1q6a 1
1 1q6a.mr . . XPLOR/CNS 12 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1q6a 1
1 1q6a.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 parsed_1q6a 1
1 1q6a.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1q6a 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1q6a
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_1q6a 1
2 1 . . . parsed_1q6a 1
3 1 . . . parsed_1q6a 1
4 1 . . . parsed_1q6a 1
5 1 . . . parsed_1q6a 1
6 1 . . . parsed_1q6a 1
7 1 . . . parsed_1q6a 1
8 1 . . . parsed_1q6a 1
9 1 . . . parsed_1q6a 1
10 1 . . . parsed_1q6a 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 . . . . . . . . . 53 . HG1# parsed_1q6a 1
1 1 2 . . . . . . . . . 297 . HG1 parsed_1q6a 1
2 1 1 . . . . . . . . . 253 . HG1# parsed_1q6a 1
2 1 2 . . . . . . . . . 97 . HG1 parsed_1q6a 1
3 1 1 . . . . . . . . . 57 . HD1# parsed_1q6a 1
3 1 2 . . . . . . . . . 293 . HA parsed_1q6a 1
4 1 1 . . . . . . . . . 257 . HD1# parsed_1q6a 1
4 1 2 . . . . . . . . . 93 . HA parsed_1q6a 1
5 1 1 . . . . . . . . . 99 . HE# parsed_1q6a 1
5 1 2 . . . . . . . . . 300 . HD1 parsed_1q6a 1
6 1 1 . . . . . . . . . 299 . HE# parsed_1q6a 1
6 1 2 . . . . . . . . . 100 . HD1 parsed_1q6a 1
7 1 1 . . . . . . . . . 99 . HE# parsed_1q6a 1
7 1 2 . . . . . . . . . 300 . HD2 parsed_1q6a 1
8 1 1 . . . . . . . . . 299 . HE# parsed_1q6a 1
8 1 2 . . . . . . . . . 100 . HD2 parsed_1q6a 1
9 1 1 . . . . . . . . . 99 . HE# parsed_1q6a 1
9 1 2 . . . . . . . . . 300 . HA parsed_1q6a 1
10 1 1 . . . . . . . . . 299 . HE# parsed_1q6a 1
10 1 2 . . . . . . . . . 100 . HA parsed_1q6a 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 . . . . . 4.0 1.8 5.5 parsed_1q6a 1
2 1 . . . . . 4.0 1.8 5.5 parsed_1q6a 1
3 1 . . . . . 4.0 1.8 5.5 parsed_1q6a 1
4 1 . . . . . 4.0 1.8 5.5 parsed_1q6a 1
5 1 . . . . . 4.0 1.8 5.0 parsed_1q6a 1
6 1 . . . . . 4.0 1.8 5.0 parsed_1q6a 1
7 1 . . . . . 4.0 1.8 5.0 parsed_1q6a 1
8 1 . . . . . 4.0 1.8 5.0 parsed_1q6a 1
9 1 . . . . . 4.0 1.8 5.0 parsed_1q6a 1
10 1 . . . . . 4.0 1.8 5.0 parsed_1q6a 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
@ END_XPLR_NOE_FILE
pck2xplr.nawk Table; Input File: dimer_c13c13_unambig.PCK
Date: Sun Aug 3 20:45:05 CDT 2003
Path: /home/vakon/NMR_data/KaiA/Th180C/Structure/analysis/noe
@ BEGIN_XPLR_PCK_SUM
LBL File-Name All Intra Seq. Short Long
A dimer_c13c13_unambig.PCK 17 0 4 2 11
Total 17 0 4 2 11
@ END_XPLR_PCK_SUM
@ BEGIN_XPLR_NOE_FILE
;
2 1 13 23 parsed_1q6a 1
2 "A.1759 at -5.86e+05" 15 72 15 93 parsed_1q6a 1
3
;
A.1759 at -5.86e+05
L57
;
16 72 18 6 parsed_1q6a 1
4 "A.2664 at 5.35e+05" 19 71 19 91 parsed_1q6a 1
5
;
A.2664 at 5.35e+05
Y99
;
20 71 23 6 parsed_1q6a 1
6 "A.2807 at 5.50e+05" 24 71 24 91 parsed_1q6a 1
7 "A.2807 at 5.50e+05" 25 72 25 92 parsed_1q6a 1
8 "A.2809 at 5.20e+05" 26 71 26 91 parsed_1q6a 1
9 "A.2809 at 5.20e+05" 27 72 27 92 parsed_1q6a 1
10 "A.273 at -5.56e+05" 28 70 28 90 parsed_1q6a 1
11
;
A.273 at -5.56e+05
@ END_XPLR_NOE_FILE
Hydrogen bond restraints added 07/03/03
;
29 71 32 43 parsed_1q6a 1
stop_
save_