NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
515510 |
1d3z   |
6457 | cing | recoord | 2-parsed | STAR | dipolar coupling | 63 |
data_1d3z_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1d3z
_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_1d3z 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1d3z
_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 1d3z "Master copy" parsed_1d3z
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1d3z
_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 1d3z.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 2 distance NOE ambi 2727 parsed_1d3z 1
1 1d3z.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 27 parsed_1d3z 1
1 1d3z.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 98 parsed_1d3z 1
1 1d3z.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 63 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 61 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 66 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 11 "dipolar coupling" "Not applicable" "Not applicable" 141 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 12 "dipolar coupling" "Not applicable" "Not applicable" 61 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 13 "dipolar coupling" "Not applicable" "Not applicable" 58 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 14 "dipolar coupling" "Not applicable" "Not applicable" 99 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 15 "dipolar coupling" "Not applicable" "Not applicable" 63 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 16 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 17 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 18 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 19 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . n/a 20 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 21 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . n/a 22 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 23 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . n/a 24 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 25 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . n/a 26 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 27 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . n/a 28 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 29 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . n/a 30 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 31 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . "MR format" 32 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1d3z 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_15
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1d3z
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 15
_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 . . . . . . . . . . . . . . . . 3.9930 3.9930 3.9930 . . . 2 . HN . 1 . C parsed_1d3z 1
2 . . . . . . . . . . . . . . . . -5.6460 -5.6460 -5.6460 . . . 3 . HN . 2 . C parsed_1d3z 1
3 . . . . . . . . . . . . . . . . 1.0410 1.0410 1.0410 . . . 4 . HN . 3 . C parsed_1d3z 1
4 . . . . . . . . . . . . . . . . 0.8350 0.8350 0.8350 . . . 5 . HN . 4 . C parsed_1d3z 1
5 . . . . . . . . . . . . . . . . 3.2590 3.2590 3.2590 . . . 6 . HN . 5 . C parsed_1d3z 1
6 . . . . . . . . . . . . . . . . 1.0210 1.0210 1.0210 . . . 7 . HN . 6 . C parsed_1d3z 1
7 . . . . . . . . . . . . . . . . -4.0420 -4.0420 -4.0420 . . . 8 . HN . 7 . C parsed_1d3z 1
8 . . . . . . . . . . . . . . . . 3.8140 3.8140 3.8140 . . . 9 . HN . 8 . C parsed_1d3z 1
9 . . . . . . . . . . . . . . . . 2.5120 2.5120 2.5120 . . . 11 . HN . 10 . C parsed_1d3z 1
10 . . . . . . . . . . . . . . . . -5.6940 -5.6940 -5.6940 . . . 12 . HN . 11 . C parsed_1d3z 1
11 . . . . . . . . . . . . . . . . 1.6090 1.6090 1.6090 . . . 13 . HN . 12 . C parsed_1d3z 1
12 . . . . . . . . . . . . . . . . 1.4590 1.4590 1.4590 . . . 14 . HN . 13 . C parsed_1d3z 1
13 . . . . . . . . . . . . . . . . 1.1820 1.1820 1.1820 . . . 15 . HN . 14 . C parsed_1d3z 1
14 . . . . . . . . . . . . . . . . 7.2350 7.2350 7.2350 . . . 16 . HN . 15 . C parsed_1d3z 1
15 . . . . . . . . . . . . . . . . -0.0560 -0.0560 -0.0560 . . . 17 . HN . 16 . C parsed_1d3z 1
16 . . . . . . . . . . . . . . . . 0.4890 0.4890 0.4890 . . . 18 . HN . 17 . C parsed_1d3z 1
17 . . . . . . . . . . . . . . . . 3.4180 3.4180 3.4180 . . . 20 . HN . 19 . C parsed_1d3z 1
18 . . . . . . . . . . . . . . . . 3.7410 3.7410 3.7410 . . . 21 . HN . 20 . C parsed_1d3z 1
19 . . . . . . . . . . . . . . . . 2.4370 2.4370 2.4370 . . . 22 . HN . 21 . C parsed_1d3z 1
20 . . . . . . . . . . . . . . . . -0.1870 -0.1870 -0.1870 . . . 23 . HN . 22 . C parsed_1d3z 1
21 . . . . . . . . . . . . . . . . -6.7310 -6.7310 -6.7310 . . . 25 . HN . 24 . C parsed_1d3z 1
22 . . . . . . . . . . . . . . . . 3.8600 3.8600 3.8600 . . . 26 . HN . 25 . C parsed_1d3z 1
23 . . . . . . . . . . . . . . . . -1.9220 -1.9220 -1.9220 . . . 27 . HN . 26 . C parsed_1d3z 1
24 . . . . . . . . . . . . . . . . 2.5170 2.5170 2.5170 . . . 28 . HN . 27 . C parsed_1d3z 1
25 . . . . . . . . . . . . . . . . -2.9030 -2.9030 -2.9030 . . . 29 . HN . 28 . C parsed_1d3z 1
26 . . . . . . . . . . . . . . . . 2.8940 2.8940 2.8940 . . . 30 . HN . 29 . C parsed_1d3z 1
27 . . . . . . . . . . . . . . . . 5.1520 5.1520 5.1520 . . . 31 . HN . 30 . C parsed_1d3z 1
28 . . . . . . . . . . . . . . . . -6.5170 -6.5170 -6.5170 . . . 32 . HN . 31 . C parsed_1d3z 1
29 . . . . . . . . . . . . . . . . 4.6050 4.6050 4.6050 . . . 33 . HN . 32 . C parsed_1d3z 1
30 . . . . . . . . . . . . . . . . -0.2320 -0.2320 -0.2320 . . . 34 . HN . 33 . C parsed_1d3z 1
31 . . . . . . . . . . . . . . . . 4.5480 4.5480 4.5480 . . . 35 . HN . 34 . C parsed_1d3z 1
32 . . . . . . . . . . . . . . . . -1.7810 -1.7810 -1.7810 . . . 36 . HN . 35 . C parsed_1d3z 1
33 . . . . . . . . . . . . . . . . -1.9270 -1.9270 -1.9270 . . . 39 . HN . 38 . C parsed_1d3z 1
34 . . . . . . . . . . . . . . . . -0.2440 -0.2440 -0.2440 . . . 40 . HN . 39 . C parsed_1d3z 1
35 . . . . . . . . . . . . . . . . 0.1220 0.1220 0.1220 . . . 41 . HN . 40 . C parsed_1d3z 1
36 . . . . . . . . . . . . . . . . 7.7690 7.7690 7.7690 . . . 42 . HN . 41 . C parsed_1d3z 1
37 . . . . . . . . . . . . . . . . 0.7900 0.7900 0.7900 . . . 43 . HN . 42 . C parsed_1d3z 1
38 . . . . . . . . . . . . . . . . 4.4780 4.4780 4.4780 . . . 44 . HN . 43 . C parsed_1d3z 1
39 . . . . . . . . . . . . . . . . -0.5830 -0.5830 -0.5830 . . . 45 . HN . 44 . C parsed_1d3z 1
40 . . . . . . . . . . . . . . . . 3.0230 3.0230 3.0230 . . . 46 . HN . 45 . C parsed_1d3z 1
41 . . . . . . . . . . . . . . . . -2.6300 -2.6300 -2.6300 . . . 47 . HN . 46 . C parsed_1d3z 1
42 . . . . . . . . . . . . . . . . -2.1030 -2.1030 -2.1030 . . . 48 . HN . 47 . C parsed_1d3z 1
43 . . . . . . . . . . . . . . . . -5.4520 -5.4520 -5.4520 . . . 49 . HN . 48 . C parsed_1d3z 1
44 . . . . . . . . . . . . . . . . 1.6580 1.6580 1.6580 . . . 50 . HN . 49 . C parsed_1d3z 1
45 . . . . . . . . . . . . . . . . -1.2430 -1.2430 -1.2430 . . . 51 . HN . 50 . C parsed_1d3z 1
46 . . . . . . . . . . . . . . . . -6.2260 -6.2260 -6.2260 . . . 52 . HN . 51 . C parsed_1d3z 1
47 . . . . . . . . . . . . . . . . 6.5670 6.5670 6.5670 . . . 54 . HN . 53 . C parsed_1d3z 1
48 . . . . . . . . . . . . . . . . -5.6250 -5.6250 -5.6250 . . . 55 . HN . 54 . C parsed_1d3z 1
49 . . . . . . . . . . . . . . . . 1.0620 1.0620 1.0620 . . . 56 . HN . 55 . C parsed_1d3z 1
50 . . . . . . . . . . . . . . . . 5.9790 5.9790 5.9790 . . . 57 . HN . 56 . C parsed_1d3z 1
51 . . . . . . . . . . . . . . . . -2.3260 -2.3260 -2.3260 . . . 58 . HN . 57 . C parsed_1d3z 1
52 . . . . . . . . . . . . . . . . 0.8730 0.8730 0.8730 . . . 59 . HN . 58 . C parsed_1d3z 1
53 . . . . . . . . . . . . . . . . -0.1130 -0.1130 -0.1130 . . . 60 . HN . 59 . C parsed_1d3z 1
54 . . . . . . . . . . . . . . . . 5.5660 5.5660 5.5660 . . . 61 . HN . 60 . C parsed_1d3z 1
55 . . . . . . . . . . . . . . . . 7.3490 7.3490 7.3490 . . . 62 . HN . 61 . C parsed_1d3z 1
56 . . . . . . . . . . . . . . . . -8.5390 -8.5390 -8.5390 . . . 63 . HN . 62 . C parsed_1d3z 1
57 . . . . . . . . . . . . . . . . 1.3760 1.3760 1.3760 . . . 64 . HN . 63 . C parsed_1d3z 1
58 . . . . . . . . . . . . . . . . 5.7400 5.7400 5.7400 . . . 65 . HN . 64 . C parsed_1d3z 1
59 . . . . . . . . . . . . . . . . 5.0400 5.0400 5.0400 . . . 66 . HN . 65 . C parsed_1d3z 1
60 . . . . . . . . . . . . . . . . 4.0810 4.0810 4.0810 . . . 67 . HN . 66 . C parsed_1d3z 1
61 . . . . . . . . . . . . . . . . -2.6610 -2.6610 -2.6610 . . . 68 . HN . 67 . C parsed_1d3z 1
62 . . . . . . . . . . . . . . . . 0.2800 0.2800 0.2800 . . . 69 . HN . 68 . C parsed_1d3z 1
63 . . . . . . . . . . . . . . . . 1.3770 1.3770 1.3770 . . . 70 . HN . 69 . C parsed_1d3z 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
;
!!
!! DipolarCouplings.HN-CO.tbl.1
!!
;
1 1 3 4 parsed_1d3z 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, April 16, 2024 8:52:04 AM GMT (wattos1)