NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
497582 |
2krl   |
cing | 2-parsed | STAR | dipolar coupling | 30 |
data_2krl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2krl
_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_2krl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2krl
_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 2krl "Master copy" parsed_2krl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2krl
_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 2krl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2krl 1
1 2krl.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 376 parsed_2krl 1
1 2krl.mr . . XPLOR/CNS 3 distance NOE simple 1230 parsed_2krl 1
1 2krl.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 159 parsed_2krl 1
1 2krl.mr . . XPLOR/CNS 5 distance "general distance" simple 30 parsed_2krl 1
1 2krl.mr . . XPLOR/CNS 6 planarity "Not applicable" "Not applicable" 0 parsed_2krl 1
1 2krl.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 30 parsed_2krl 1
1 2krl.mr . . unknown 8 "small-angle x-ray scattering" "Not applicable" "Not applicable" 0 parsed_2krl 1
1 2krl.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2krl 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2krl
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 7
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 10.3370 9.1370 11.5370 . . . 18 . N3 . 18 . H3 parsed_2krl 1
2 . . . . . . . . . . . . . . . . 7.5900 6.3900 8.7900 . . . 7 . N3 . 7 . H3 parsed_2krl 1
3 . . . . . . . . . . . . . . . . 0.0080 -1.1920 1.2080 . . . 49 . N3 . 49 . H3 parsed_2krl 1
4 . . . . . . . . . . . . . . . . 23.1740 21.9740 24.3740 . . . 90 . N3 . 90 . H3 parsed_2krl 1
5 . . . . . . . . . . . . . . . . 12.9160 11.7160 14.1160 . . . 99 . N3 . 99 . H3 parsed_2krl 1
6 . . . . . . . . . . . . . . . . 9.6880 8.4880 10.8880 . . . 6 . N1 . 6 . H1 parsed_2krl 1
7 . . . . . . . . . . . . . . . . 10.6010 9.4010 11.8010 . . . 33 . N3 . 33 . H3 parsed_2krl 1
8 . . . . . . . . . . . . . . . . 16.1370 14.9370 17.3370 . . . 29 . N1 . 29 . H1 parsed_2krl 1
9 . . . . . . . . . . . . . . . . 10.1620 8.9620 11.3620 . . . 80 . N1 . 80 . H1 parsed_2krl 1
10 . . . . . . . . . . . . . . . . -0.0780 -1.2780 1.1220 . . . 92 . N1 . 92 . H1 parsed_2krl 1
11 . . . . . . . . . . . . . . . . 28.5340 27.3340 29.7340 . . . 58 . N1 . 58 . H1 parsed_2krl 1
12 . . . . . . . . . . . . . . . . 27.6670 26.4670 28.8670 . . . 89 . N1 . 89 . H1 parsed_2krl 1
13 . . . . . . . . . . . . . . . . 10.3820 9.1820 11.5820 . . . 17 . N1 . 17 . H1 parsed_2krl 1
14 . . . . . . . . . . . . . . . . -1.3080 -2.5080 -0.1080 . . . 40 . N1 . 40 . H1 parsed_2krl 1
15 . . . . . . . . . . . . . . . . 3.8210 2.6210 5.0210 . . . 27 . N1 . 27 . H1 parsed_2krl 1
16 . . . . . . . . . . . . . . . . 25.6010 24.4010 26.8010 . . . 59 . N1 . 59 . H1 parsed_2krl 1
17 . . . . . . . . . . . . . . . . 17.0500 15.8500 18.2500 . . . 81 . N1 . 81 . H1 parsed_2krl 1
18 . . . . . . . . . . . . . . . . 9.9490 8.7490 11.1490 . . . 2 . N1 . 2 . H1 parsed_2krl 1
19 . . . . . . . . . . . . . . . . 9.0030 7.8030 10.2030 . . . 50 . N1 . 50 . H1 parsed_2krl 1
20 . . . . . . . . . . . . . . . . 9.8450 8.6450 11.0450 . . . 82 . N1 . 82 . H1 parsed_2krl 1
21 . . . . . . . . . . . . . . . . 3.3890 2.1890 4.5890 . . . 8 . N1 . 8 . H1 parsed_2krl 1
22 . . . . . . . . . . . . . . . . 17.5580 16.3580 18.7580 . . . 91 . N1 . 91 . H1 parsed_2krl 1
23 . . . . . . . . . . . . . . . . 14.5700 13.3700 15.7700 . . . 52 . N3 . 52 . H3 parsed_2krl 1
24 . . . . . . . . . . . . . . . . 10.5650 9.3650 11.7650 . . . 16 . N3 . 16 . H3 parsed_2krl 1
25 . . . . . . . . . . . . . . . . 6.6740 5.4740 7.8740 . . . 32 . N3 . 32 . H3 parsed_2krl 1
26 . . . . . . . . . . . . . . . . 10.1170 8.9170 11.3170 . . . 20 . N3 . 20 . H3 parsed_2krl 1
27 . . . . . . . . . . . . . . . . 3.4910 2.2910 4.6910 . . . 48 . N1 . 48 . H1 parsed_2krl 1
28 . . . . . . . . . . . . . . . . 16.4170 15.2170 17.6170 . . . 28 . N1 . 28 . H1 parsed_2krl 1
29 . . . . . . . . . . . . . . . . 11.6580 10.4580 12.8580 . . . 5 . N1 . 5 . H1 parsed_2krl 1
30 . . . . . . . . . . . . . . . . 11.0890 9.8890 12.2890 . . . 1 . N1 . 1 . H1 parsed_2krl 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1 "RDC restraints" 1 1 1 17 parsed_2krl 1
stop_
save_
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