Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
36220 | 1n7t RC | 5631 | cing | 2-parsed | STAR | dihedral angle | 26 |
data_1n7t_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1n7t
_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_1n7t 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1n7t
_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 1n7t "Master copy" parsed_1n7t
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1n7t
_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 1n7t.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 2 distance NOE simple 1499 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 3 distance NOE simple 218 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 36 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 130 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 26 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1n7t 1
1 1n7t.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1n7t 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1n7t
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 18 . n A 18 . ca A 18 . cb A 18 . cg parsed_1n7t 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 22 . n A 22 . ca A 22 . cb A 22 . cg parsed_1n7t 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . A 25 . n A 25 . ca A 25 . cb A 25 . cg parsed_1n7t 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . A 26 . n A 26 . ca A 26 . cb A 26 . og parsed_1n7t 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 38 . n A 38 . ca A 38 . cb A 38 . cg parsed_1n7t 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 42 . n A 42 . ca A 42 . cb A 42 . cg parsed_1n7t 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . A 43 . n A 43 . ca A 43 . cb A 43 . cg parsed_1n7t 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 59 . n A 59 . ca A 59 . cb A 59 . cg parsed_1n7t 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 60 . n A 60 . ca A 60 . cb A 60 . cg parsed_1n7t 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 65 . n A 65 . ca A 65 . cb A 65 . cg parsed_1n7t 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 70 . n A 70 . ca A 70 . cb A 70 . cg parsed_1n7t 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 76 . n A 76 . ca A 76 . cb A 76 . cg parsed_1n7t 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 78 . n A 78 . ca A 78 . cb A 78 . cg parsed_1n7t 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 85 . n A 85 . ca A 85 . cb A 85 . cg parsed_1n7t 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 86 . n A 86 . ca A 86 . cb A 86 . cg parsed_1n7t 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 87 . n A 87 . ca A 87 . cb A 87 . cg parsed_1n7t 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 95 . n A 95 . ca A 95 . cb A 95 . cg parsed_1n7t 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . A 27 . n A 27 . ca A 27 . cb A 27 . cg1 parsed_1n7t 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 48 . n A 48 . ca A 48 . cb A 48 . og1 parsed_1n7t 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 50 . n A 50 . ca A 50 . cb A 50 . cg1 parsed_1n7t 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . A 77 . n A 77 . ca A 77 . cb A 77 . cg1 parsed_1n7t 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 89 . n A 89 . ca A 89 . cb A 89 . cg parsed_1n7t 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 93 . n A 93 . ca A 93 . cb A 93 . cg1 parsed_1n7t 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 96 . n A 96 . ca A 96 . cb A 96 . cg1 parsed_1n7t 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . A 97 . n A 97 . ca A 97 . cb A 97 . cg1 parsed_1n7t 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 98 . n A 98 . ca A 98 . cb A 98 . cg1 parsed_1n7t 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
;
chi1 from hnhb
chi-1 18 E
;
1 1 6 13 parsed_1n7t 1
2 "chi-1 22 E" 9 1 10 13 parsed_1n7t 1
3 "chi-1 25 F" 13 1 14 13 parsed_1n7t 1
4 "chi-1 26 S" 17 1 18 13 parsed_1n7t 1
5 "chi-1 38 F" 21 1 22 13 parsed_1n7t 1
6 "chi-1 42 D" 25 1 26 13 parsed_1n7t 1
7 "chi-1 43 D" 29 1 30 13 parsed_1n7t 1
8 "chi-1 59 L" 33 1 34 13 parsed_1n7t 1
9 "chi-1 60 L" 37 1 38 13 parsed_1n7t 1
10 "chi-1 65 K" 41 1 42 13 parsed_1n7t 1
11 "chi-1 70 N" 45 1 46 13 parsed_1n7t 1
12 "chi-1 76 N" 49 1 50 13 parsed_1n7t 1
13 "chi-1 78 E" 53 1 54 13 parsed_1n7t 1
14 "chi-1 85 L" 57 1 58 13 parsed_1n7t 1
15 "chi-1 86 L" 61 1 62 13 parsed_1n7t 1
16 "chi-1 87 K" 65 1 66 13 parsed_1n7t 1
17 "chi-1 95 L" 69 1 70 13 parsed_1n7t 1
18
;
now do HA-HB side chains
chi-1 27 I
;
73 1 76 13 parsed_1n7t 1
19
;
chi-1 45 I
assign (resid 45 and name n and segid A )(resid 45 and name ca and segid A )
(resid 45 and name cb and segid A )(resid 45 and name cg1 and segid A ) 1.0 180.0 30.0 2
chi-1 48 T
;
79 1 84 13 parsed_1n7t 1
20 "chi-1 50 V" 87 1 88 13 parsed_1n7t 1
21 "chi-1 77 I" 91 1 92 13 parsed_1n7t 1
22 "chi-1 89 F manual" 95 1 96 20 parsed_1n7t 1
23 "chi-1 93 V" 99 1 100 13 parsed_1n7t 1
24 "chi-1 96 I" 103 1 104 13 parsed_1n7t 1
25 "chi-1 97 I" 107 1 108 13 parsed_1n7t 1
26 "chi-1 98 V" 111 1 112 13 parsed_1n7t 1
stop_
save_