NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
532975 |
2kmk   |
cing | 2-parsed | STAR | dipolar coupling | 33 |
data_2kmk_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kmk
_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_2kmk 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kmk
_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 2kmk "Master copy" parsed_2kmk
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kmk
_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 2kmk.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kmk 1
1 2kmk.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 132 parsed_2kmk 1
1 2kmk.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 33 parsed_2kmk 1
1 2kmk.mr . . XPLOR/CNS 4 distance NOE ambi 0 parsed_2kmk 1
1 2kmk.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_2kmk 1
1 2kmk.mr . . XPLOR/CNS 6 distance NOE simple 0 parsed_2kmk 1
1 2kmk.mr . . XPLOR/CNS 7 distance NOE ambi 0 parsed_2kmk 1
1 2kmk.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kmk 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kmk
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . 7.0670 6.0780 8.0560 . . . 103 . N3 . 103 . H3 parsed_2kmk 1
2 . . . . . . . . . . . . . . . . 18.4500 17.6360 19.2640 . . . 107 . N3 . 107 . H3 parsed_2kmk 1
3 . . . . . . . . . . . . . . . . 17.0910 16.3250 17.8570 . . . 111 . N3 . 111 . H3 parsed_2kmk 1
4 . . . . . . . . . . . . . . . . 4.1990 2.5400 5.8580 . . . 207 . N1 . 207 . H1 parsed_2kmk 1
5 . . . . . . . . . . . . . . . . 0.8430 0.1170 1.5690 . . . 208 . N3 . 208 . H3 parsed_2kmk 1
6 . . . . . . . . . . . . . . . . 5.3680 4.1630 6.5730 . . . 209 . N1 . 209 . H1 parsed_2kmk 1
7 . . . . . . . . . . . . . . . . 21.2720 20.5470 21.9970 . . . 211 . N3 . 211 . H3 parsed_2kmk 1
8 . . . . . . . . . . . . . . . . 15.2890 14.4220 16.1560 . . . 212 . N3 . 212 . H3 parsed_2kmk 1
9 . . . . . . . . . . . . . . . . 6.3300 5.5870 7.0730 . . . 213 . N3 . 213 . H3 parsed_2kmk 1
10 . . . . . . . . . . . . . . . . 29.0670 24.9110 33.2230 . . . 102 . C8 . 102 . H8 parsed_2kmk 1
11 . . . . . . . . . . . . . . . . 36.3930 31.0950 41.6910 . . . 103 . C6 . 103 . H6 parsed_2kmk 1
12 . . . . . . . . . . . . . . . . 16.4330 11.5200 21.3460 . . . 104 . C2 . 104 . H2 parsed_2kmk 1
13 . . . . . . . . . . . . . . . . 13.3130 9.8620 16.7640 . . . 105 . C2 . 105 . H2 parsed_2kmk 1
14 . . . . . . . . . . . . . . . . 14.1600 11.6050 16.7150 . . . 105 . C8 . 105 . H8 parsed_2kmk 1
15 . . . . . . . . . . . . . . . . 21.9310 15.5920 28.2700 . . . 106 . C2 . 106 . H2 parsed_2kmk 1
16 . . . . . . . . . . . . . . . . -0.4950 -3.1980 2.2080 . . . 106 . C8 . 106 . H8 parsed_2kmk 1
17 . . . . . . . . . . . . . . . . 21.6130 14.7850 28.4410 . . . 107 . C6 . 107 . H6 parsed_2kmk 1
18 . . . . . . . . . . . . . . . . 33.5170 28.9330 38.1010 . . . 109 . C2 . 109 . H2 parsed_2kmk 1
19 . . . . . . . . . . . . . . . . -1.3880 -5.7910 3.0150 . . . 109 . C8 . 109 . H8 parsed_2kmk 1
20 . . . . . . . . . . . . . . . . 9.5710 4.2690 14.8730 . . . 110 . C6 . 110 . H6 parsed_2kmk 1
21 . . . . . . . . . . . . . . . . 46.0130 42.7970 49.2290 . . . 112 . C8 . 112 . H8 parsed_2kmk 1
22 . . . . . . . . . . . . . . . . 25.5430 19.9790 31.1070 . . . 113 . C6 . 113 . H6 parsed_2kmk 1
23 . . . . . . . . . . . . . . . . -10.5530 -20.5000 -0.6060 . . . 114 . C6 . 114 . H6 parsed_2kmk 1
24 . . . . . . . . . . . . . . . . -4.2380 -6.5510 -1.9250 . . . 202 . C2 . 202 . H2 parsed_2kmk 1
25 . . . . . . . . . . . . . . . . 38.3220 29.1010 47.5430 . . . 205 . C6 . 205 . H6 parsed_2kmk 1
26 . . . . . . . . . . . . . . . . 34.1500 29.8610 38.4390 . . . 206 . C2 . 206 . H2 parsed_2kmk 1
27 . . . . . . . . . . . . . . . . 28.9710 24.9880 32.9540 . . . 207 . C8 . 207 . H8 parsed_2kmk 1
28 . . . . . . . . . . . . . . . . -12.6470 -18.5710 -6.7230 . . . 208 . C6 . 208 . H6 parsed_2kmk 1
29 . . . . . . . . . . . . . . . . -6.1410 -10.4880 -1.7940 . . . 209 . C8 . 209 . H8 parsed_2kmk 1
30 . . . . . . . . . . . . . . . . 53.3220 46.2190 60.4250 . . . 211 . C6 . 211 . H6 parsed_2kmk 1
31 . . . . . . . . . . . . . . . . 1.4820 -3.9670 6.9310 . . . 212 . C6 . 212 . H6 parsed_2kmk 1
32 . . . . . . . . . . . . . . . . 16.0370 10.4970 21.5770 . . . 213 . C6 . 213 . H6 parsed_2kmk 1
33 . . . . . . . . . . . . . . . . 7.7770 3.6070 11.9470 . . . 214 . C2 . 214 . H2 parsed_2kmk 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 "Dipolar couplings for the DNA, different amplitude of the tensor as compared to the protein." 1 1 1 94 parsed_2kmk 1
2 S1 233 1 233 4 parsed_2kmk 1
stop_
save_
Contact the webmaster for help, if required. Sunday, April 28, 2024 1:21:24 AM GMT (wattos1)