NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
526950 |
2lmf   |
18114 | cing | 2-parsed | STAR | dihedral angle | 36 |
data_2lmf_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lmf
_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_2lmf 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lmf
_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 2lmf "Master copy" parsed_2lmf
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lmf
_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 2lmf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lmf 1
1 2lmf.mr . . XPLOR/CNS 2 distance NOE simple 265 parsed_2lmf 1
1 2lmf.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 32 parsed_2lmf 1
1 2lmf.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 36 parsed_2lmf 1
1 2lmf.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lmf 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lmf
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.00 -39.00 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2lmf 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.00 24.00 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2lmf 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.00 -39.00 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2lmf 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.00 -36.00 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2lmf 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.00 -54.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2lmf 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -33.00 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2lmf 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.00 -54.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2lmf 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.00 -35.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2lmf 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -52.00 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2lmf 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.00 -32.00 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2lmf 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -52.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2lmf 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -31.00 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2lmf 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.00 -41.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2lmf 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -31.00 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2lmf 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -53.00 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2lmf 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 -30.00 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2lmf 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -52.00 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2lmf 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -31.00 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2lmf 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.00 -55.00 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2lmf 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -33.00 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2lmf 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.00 -43.00 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2lmf 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -20.00 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2lmf 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.00 -54.00 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2lmf 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.00 -32.00 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2lmf 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -51.00 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2lmf 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -34.00 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2lmf 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.00 -54.00 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2lmf 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.00 -17.00 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2lmf 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.00 -55.00 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2lmf 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 -30.00 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2lmf 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.00 -48.00 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2lmf 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.00 -17.00 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2lmf 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -52.00 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2lmf 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -19.00 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2lmf 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.00 -55.00 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2lmf 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.00 -9.00 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2lmf 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
;
! phi and phi angles
! L2
;
1 1 2 6 parsed_2lmf 1
2 "! G3" 7 1 7 6 parsed_2lmf 1
3 "! D4" 11 72 12 6 parsed_2lmf 1
4 "! F5" 16 72 17 6 parsed_2lmf 1
5 "! F6" 21 72 22 6 parsed_2lmf 1
6 "! R7" 26 72 27 6 parsed_2lmf 1
7 "! K8" 31 72 32 6 parsed_2lmf 1
8 "! S9" 36 72 37 6 parsed_2lmf 1
9 "! K10" 41 73 42 7 parsed_2lmf 1
10 "! E11" 46 74 47 8 parsed_2lmf 1
11 "! K12" 51 74 52 8 parsed_2lmf 1
12 "! 13" 56 74 57 6 parsed_2lmf 1
13 "! 14" 61 74 62 6 parsed_2lmf 1
14 "! 15" 66 74 68 6 parsed_2lmf 1
15 "! 16" 72 74 74 6 parsed_2lmf 1
16 "! 17" 78 74 79 6 parsed_2lmf 1
17 "! 18" 83 74 84 6 parsed_2lmf 1
18 "! 19" 88 74 89 6 parsed_2lmf 1
19
;
END
The END of the NMR restraints for LL-23
;
93 74 96 41 parsed_2lmf 1
stop_
save_
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