NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
51359 |
2k6r   |
15879 | cing | 2-parsed | STAR | dihedral angle | 48 |
data_2k6r_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k6r
_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_2k6r 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k6r
_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 2k6r "Master copy" parsed_2k6r
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k6r
_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 2k6r.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k6r 1
1 2k6r.mr . . XPLOR/CNS 2 distance NOE simple 444 parsed_2k6r 1
1 2k6r.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 16 parsed_2k6r 1
1 2k6r.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 48 parsed_2k6r 1
1 2k6r.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k6r 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2k6r
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.630 -66.770 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2k6r 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.06 -70.06 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2k6r 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.800 -64.800 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2k6r 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.98 -70.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2k6r 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.780 -76.040 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2k6r 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.44 -63.34 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2k6r 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.250 -54.890 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2k6r 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 68.620 105.780 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2k6r 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.960 -75.340 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2k6r 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.09 -93.41 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2k6r 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.960 -93.760 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2k6r 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.670 -58.470 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2k6r 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.09 -66.73 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2k6r 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.83 -53.83 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2k6r 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.04 -54.04 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2k6r 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.36 -56.36 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2k6r 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.92 -53.92 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2k6r 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.50 -52.50 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2k6r 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.99 -51.99 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2k6r 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.82 -53.82 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2k6r 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.05 -55.05 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2k6r 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.49 -52.49 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2k6r 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.35 -56.35 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2k6r 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.93 -58.07 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2k6r 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.470 155.710 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2k6r 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.120 147.120 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2k6r 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.86 156.72 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2k6r 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.09 8.91 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2k6r 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.880 -5.460 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2k6r 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.18 138.46 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2k6r 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.14 153.04 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2k6r 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.75 24.13 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2k6r 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.06 166.26 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2k6r 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.96 160.28 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2k6r 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.91 191.33 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2k6r 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.37 -29.77 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2k6r 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 79.76 125.30 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2k6r 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.71 -21.71 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2k6r 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.75 -29.75 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2k6r 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.14 -30.14 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2k6r 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.47 -22.47 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2k6r 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.93 -35.93 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2k6r 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.00 -32.00 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2k6r 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.72 -25.72 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2k6r 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.38 -31.38 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2k6r 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.27 -27.27 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2k6r 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.72 -23.88 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2k6r 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.54 6.02 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2k6r 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
;
dihedrals.tbl
phi_new.tbl
;
1 1 3 14 parsed_2k6r 1
2 psi_new.tbl 125 2 125 14 parsed_2k6r 1
stop_
save_
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