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 | item_count |
|
|
551068 |
2lt8   |
18463 | cing | 2-parsed | STAR | dihedral angle | 34 |
data_2lt8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lt8
_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_2lt8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lt8
_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 2lt8 "Master copy" parsed_2lt8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lt8
_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 2lt8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lt8 1
1 2lt8.mr . . XPLOR/CNS 2 distance NOE simple 285 parsed_2lt8 1
1 2lt8.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_2lt8 1
1 2lt8.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lt8 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lt8
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.00 184.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2lt8 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.00 -71.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2lt8 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78.00 138.00 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2lt8 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.00 -31.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2lt8 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.00 2.00 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2lt8 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.00 -36.00 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2lt8 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -11.00 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2lt8 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -34.00 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2lt8 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.00 -6.00 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2lt8 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.00 -32.00 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2lt8 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.00 -14.00 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2lt8 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -34.00 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2lt8 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -12.00 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2lt8 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.00 -27.00 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2lt8 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -13.00 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2lt8 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -34.00 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2lt8 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -11.00 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2lt8 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.00 -41.00 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2lt8 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.00 4.00 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2lt8 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.00 -86.00 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2lt8 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.00 164.00 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2lt8 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.00 -27.00 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2lt8 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.00 -3.00 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2lt8 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.00 -76.00 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2lt8 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.00 145.00 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2lt8 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.00 -81.00 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2lt8 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.00 153.00 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2lt8 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.00 -79.00 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2lt8 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.00 159.00 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2lt8 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.00 -101.00 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2lt8 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 180.00 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2lt8 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2lt8 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.00 167.00 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2lt8 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.00 167.00 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2lt8 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 "PSI 5" 1 1 1 8 parsed_2lt8 1
2 "PHI 7" 4 1 4 8 parsed_2lt8 1
3 "PSI 7" 7 1 7 8 parsed_2lt8 1
4 "PHI 8" 10 1 10 8 parsed_2lt8 1
5 "PSI 8" 13 1 13 8 parsed_2lt8 1
6 "PHI 9" 16 1 16 8 parsed_2lt8 1
7 "PSI 9" 19 1 19 8 parsed_2lt8 1
8 "PHI 10" 22 1 22 9 parsed_2lt8 1
9 "PSI 10" 25 1 25 9 parsed_2lt8 1
10 "PHI 12" 28 1 28 9 parsed_2lt8 1
11 "PSI 12" 31 1 31 9 parsed_2lt8 1
12 "PHI 13" 34 1 34 9 parsed_2lt8 1
13 "PSI 13" 37 1 37 9 parsed_2lt8 1
14 "PHI 16" 40 1 40 9 parsed_2lt8 1
15 "PSI 16" 43 1 43 9 parsed_2lt8 1
16 "PHI 17" 46 1 46 9 parsed_2lt8 1
17 "PSI 17" 49 1 49 9 parsed_2lt8 1
18 "PHI 18" 52 1 52 9 parsed_2lt8 1
19 "PSI 18" 55 1 55 9 parsed_2lt8 1
20 "PHI 27" 58 1 58 9 parsed_2lt8 1
21 "PSI 27" 61 1 61 9 parsed_2lt8 1
22 "PHI 31" 64 1 64 9 parsed_2lt8 1
23 "PSI 31" 67 1 67 9 parsed_2lt8 1
24 "PHI 37" 70 1 70 9 parsed_2lt8 1
25 "PSI 37" 73 1 73 9 parsed_2lt8 1
26 "PHI 38" 76 1 76 9 parsed_2lt8 1
27 "PSI 38" 79 1 79 9 parsed_2lt8 1
28 "PHI 39" 82 1 82 9 parsed_2lt8 1
29 "PSI 39" 85 1 85 9 parsed_2lt8 1
30 "PHI 40" 88 1 88 9 parsed_2lt8 1
31 "PSI 40" 91 1 91 9 parsed_2lt8 1
32 "PHI 41" 94 1 94 9 parsed_2lt8 1
33 "PSI 41" 97 1 97 9 parsed_2lt8 1
34 "PSI 41" 100 1 100 9 parsed_2lt8 1
stop_
save_
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