NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
35456 |
1lmj   |
cing | 2-parsed | STAR | dihedral angle | 26 |
data_1lmj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1lmj
_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_1lmj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1lmj
_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 1lmj "Master copy" parsed_1lmj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1lmj
_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 1lmj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1lmj 1
1 1lmj.mr . . XPLOR/CNS 2 distance NOE simple 44 parsed_1lmj 1
1 1lmj.mr . . XPLOR/CNS 3 distance NOE ambi 152 parsed_1lmj 1
1 1lmj.mr . . XPLOR/CNS 4 distance NOE simple 223 parsed_1lmj 1
1 1lmj.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1lmj 1
1 1lmj.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 26 parsed_1lmj 1
1 1lmj.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1lmj 1
1 1lmj.mr . . XPLOR/CNS 8 distance NOE simple 0 parsed_1lmj 1
1 1lmj.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1lmj 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1lmj
_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 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1lmj 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_1lmj 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_1lmj 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_1lmj 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1lmj 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1lmj 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1lmj 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1lmj 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1lmj 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_1lmj 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -70.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_1lmj 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1lmj 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_1lmj 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_1lmj 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_1lmj 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_1lmj 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_1lmj 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_1lmj 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_1lmj 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_1lmj 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_1lmj 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_1lmj 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_1lmj 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1lmj 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_1lmj 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_1lmj 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 "based on HMQCJ data (500 MHz); values for 500 MHz given" 1 1 1 58 parsed_1lmj 1
2 4.4 3 76 3 80 parsed_1lmj 1
3 4.6 5 76 5 80 parsed_1lmj 1
4 4.6 7 76 7 81 parsed_1lmj 1
5 8.5 9 76 9 80 parsed_1lmj 1
6 8.5 11 76 11 80 parsed_1lmj 1
7 9.0 13 76 13 80 parsed_1lmj 1
8 9.4 15 76 15 81 parsed_1lmj 1
9 8.7 17 76 17 80 parsed_1lmj 1
10 8.9 19 76 19 80 parsed_1lmj 1
11 9.0 21 76 21 81 parsed_1lmj 1
12 9.5 23 76 23 80 parsed_1lmj 1
13 8.1 25 76 25 87 parsed_1lmj 1
14 9.2 27 76 27 87 parsed_1lmj 1
15 8.6 29 76 29 93 parsed_1lmj 1
16 9.9 31 76 31 87 parsed_1lmj 1
17 9.3 33 76 33 81 parsed_1lmj 1
18 8.2 35 76 35 80 parsed_1lmj 1
19 8.4 37 76 37 80 parsed_1lmj 1
20 9.1 39 76 39 80 parsed_1lmj 1
21 8.2 41 76 41 80 parsed_1lmj 1
22 9.4 43 76 43 80 parsed_1lmj 1
23 2.3 45 76 45 80 parsed_1lmj 1
24 9.3 47 76 47 87 parsed_1lmj 1
25 8.7 49 76 49 81 parsed_1lmj 1
26 3.9 51 76 51 80 parsed_1lmj 1
27 2.1 53 76 53 80 parsed_1lmj 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 12:03:50 PM GMT (wattos1)