NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
180124 |
2khz   |
16258 | cing | 2-parsed | STAR | dipolar coupling | 74 |
data_2khz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2khz
_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_2khz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2khz
_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 2khz "Master copy" parsed_2khz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2khz
_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 2khz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2khz 1
1 2khz.mr . . XPLOR/CNS 2 distance NOE ambi 1414 parsed_2khz 1
1 2khz.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 74 parsed_2khz 1
1 2khz.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2khz 1
1 2khz.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2khz 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2khz
_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 . . . . . . . . . . . . . . . . 4.055 2.644 5.466 . . . 11 . N . 11 . HN parsed_2khz 1
2 . . . . . . . . . . . . . . . . -13.367 -15.134 -11.600 . . . 13 . N . 13 . HN parsed_2khz 1
3 . . . . . . . . . . . . . . . . -4.899 -8.263 -1.535 . . . 17 . N . 17 . HN parsed_2khz 1
4 . . . . . . . . . . . . . . . . 4.365 0.745 7.985 . . . 20 . N . 20 . HN parsed_2khz 1
5 . . . . . . . . . . . . . . . . 1.159 0.322 1.996 . . . 21 . N . 21 . HN parsed_2khz 1
6 . . . . . . . . . . . . . . . . 12.247 8.950 15.544 . . . 22 . N . 22 . HN parsed_2khz 1
7 . . . . . . . . . . . . . . . . 4.555 2.530 6.580 . . . 23 . N . 23 . HN parsed_2khz 1
8 . . . . . . . . . . . . . . . . 15.822 14.808 16.836 . . . 25 . N . 25 . HN parsed_2khz 1
9 . . . . . . . . . . . . . . . . 7.294 6.037 8.551 . . . 27 . N . 27 . HN parsed_2khz 1
10 . . . . . . . . . . . . . . . . 10.328 9.287 11.369 . . . 30 . N . 30 . HN parsed_2khz 1
11 . . . . . . . . . . . . . . . . 13.995 12.701 15.289 . . . 31 . N . 31 . HN parsed_2khz 1
12 . . . . . . . . . . . . . . . . 15.667 14.521 16.813 . . . 32 . N . 32 . HN parsed_2khz 1
13 . . . . . . . . . . . . . . . . 18.421 17.732 19.110 . . . 33 . N . 33 . HN parsed_2khz 1
14 . . . . . . . . . . . . . . . . 7.446 6.485 8.407 . . . 34 . N . 34 . HN parsed_2khz 1
15 . . . . . . . . . . . . . . . . 17.332 15.971 18.693 . . . 35 . N . 35 . HN parsed_2khz 1
16 . . . . . . . . . . . . . . . . 23.648 22.692 24.604 . . . 36 . N . 36 . HN parsed_2khz 1
17 . . . . . . . . . . . . . . . . 3.059 2.250 3.868 . . . 37 . N . 37 . HN parsed_2khz 1
18 . . . . . . . . . . . . . . . . 11.054 10.150 11.958 . . . 38 . N . 38 . HN parsed_2khz 1
19 . . . . . . . . . . . . . . . . 20.131 19.435 20.827 . . . 39 . N . 39 . HN parsed_2khz 1
20 . . . . . . . . . . . . . . . . 14.839 14.252 15.426 . . . 40 . N . 40 . HN parsed_2khz 1
21 . . . . . . . . . . . . . . . . -8.014 -9.943 -6.085 . . . 41 . N . 41 . HN parsed_2khz 1
22 . . . . . . . . . . . . . . . . 2.554 2.081 3.027 . . . 62 . N . 62 . HN parsed_2khz 1
23 . . . . . . . . . . . . . . . . -6.822 -7.383 -6.261 . . . 63 . N . 63 . HN parsed_2khz 1
24 . . . . . . . . . . . . . . . . 2.142 0.041 4.243 . . . 64 . N . 64 . HN parsed_2khz 1
25 . . . . . . . . . . . . . . . . 4.559 3.462 5.656 . . . 65 . N . 65 . HN parsed_2khz 1
26 . . . . . . . . . . . . . . . . -1.488 -3.333 0.357 . . . 71 . N . 71 . HN parsed_2khz 1
27 . . . . . . . . . . . . . . . . 9.492 8.587 10.397 . . . 75 . N . 75 . HN parsed_2khz 1
28 . . . . . . . . . . . . . . . . 0.635 -0.097 1.367 . . . 76 . N . 76 . HN parsed_2khz 1
29 . . . . . . . . . . . . . . . . -15.016 -16.236 -13.796 . . . 79 . N . 79 . HN parsed_2khz 1
30 . . . . . . . . . . . . . . . . -19.563 -21.212 -17.914 . . . 80 . N . 80 . HN parsed_2khz 1
31 . . . . . . . . . . . . . . . . -16.237 -17.632 -14.842 . . . 81 . N . 81 . HN parsed_2khz 1
32 . . . . . . . . . . . . . . . . -10.572 -12.516 -8.628 . . . 83 . N . 83 . HN parsed_2khz 1
33 . . . . . . . . . . . . . . . . -11.473 -14.192 -8.754 . . . 84 . N . 84 . HN parsed_2khz 1
34 . . . . . . . . . . . . . . . . -0.422 -1.733 0.889 . . . 87 . N . 87 . HN parsed_2khz 1
35 . . . . . . . . . . . . . . . . 7.065 3.335 10.795 . . . 88 . N . 88 . HN parsed_2khz 1
36 . . . . . . . . . . . . . . . . 17.978 16.560 19.396 . . . 91 . N . 91 . HN parsed_2khz 1
37 . . . . . . . . . . . . . . . . 20.499 19.426 21.572 . . . 94 . N . 94 . HN parsed_2khz 1
38 . . . . . . . . . . . . . . . . 15.153 13.657 16.649 . . . 95 . N . 95 . HN parsed_2khz 1
39 . . . . . . . . . . . . . . . . 27.543 26.716 28.370 . . . 97 . N . 97 . HN parsed_2khz 1
40 . . . . . . . . . . . . . . . . 19.526 18.658 20.394 . . . 98 . N . 98 . HN parsed_2khz 1
41 . . . . . . . . . . . . . . . . 13.688 13.000 14.376 . . . 99 . N . 99 . HN parsed_2khz 1
42 . . . . . . . . . . . . . . . . 22.011 21.016 23.006 . . . 100 . N . 100 . HN parsed_2khz 1
43 . . . . . . . . . . . . . . . . 6.833 6.028 7.638 . . . 101 . N . 101 . HN parsed_2khz 1
44 . . . . . . . . . . . . . . . . 0.487 -0.662 1.636 . . . 102 . N . 102 . HN parsed_2khz 1
45 . . . . . . . . . . . . . . . . -20.776 -22.447 -19.105 . . . 105 . N . 105 . HN parsed_2khz 1
46 . . . . . . . . . . . . . . . . -18.371 -19.617 -17.125 . . . 106 . N . 106 . HN parsed_2khz 1
47 . . . . . . . . . . . . . . . . -11.126 -13.512 -8.740 . . . 109 . N . 109 . HN parsed_2khz 1
48 . . . . . . . . . . . . . . . . 19.743 16.541 22.945 . . . 112 . N . 112 . HN parsed_2khz 1
49 . . . . . . . . . . . . . . . . 0.205 -1.455 1.865 . . . 113 . N . 113 . HN parsed_2khz 1
50 . . . . . . . . . . . . . . . . -8.145 -8.996 -7.294 . . . 114 . N . 114 . HN parsed_2khz 1
51 . . . . . . . . . . . . . . . . -3.340 -3.875 -2.805 . . . 115 . N . 115 . HN parsed_2khz 1
52 . . . . . . . . . . . . . . . . -10.277 -11.608 -8.946 . . . 116 . N . 116 . HN parsed_2khz 1
53 . . . . . . . . . . . . . . . . 9.077 6.204 11.950 . . . 118 . N . 118 . HN parsed_2khz 1
54 . . . . . . . . . . . . . . . . 14.120 12.383 15.857 . . . 121 . N . 121 . HN parsed_2khz 1
55 . . . . . . . . . . . . . . . . 5.634 3.793 7.475 . . . 122 . N . 122 . HN parsed_2khz 1
56 . . . . . . . . . . . . . . . . 12.856 11.282 14.430 . . . 123 . N . 123 . HN parsed_2khz 1
57 . . . . . . . . . . . . . . . . 18.729 17.850 19.608 . . . 124 . N . 124 . HN parsed_2khz 1
58 . . . . . . . . . . . . . . . . -18.115 -20.117 -16.113 . . . 125 . N . 125 . HN parsed_2khz 1
59 . . . . . . . . . . . . . . . . -2.080 -2.752 -1.408 . . . 126 . N . 126 . HN parsed_2khz 1
60 . . . . . . . . . . . . . . . . -0.129 -0.942 0.684 . . . 127 . N . 127 . HN parsed_2khz 1
61 . . . . . . . . . . . . . . . . -10.387 -11.398 -9.376 . . . 128 . N . 128 . HN parsed_2khz 1
62 . . . . . . . . . . . . . . . . -17.683 -18.485 -16.881 . . . 131 . N . 131 . HN parsed_2khz 1
63 . . . . . . . . . . . . . . . . -19.894 -21.125 -18.663 . . . 132 . N . 132 . HN parsed_2khz 1
64 . . . . . . . . . . . . . . . . -13.275 -14.090 -12.460 . . . 133 . N . 133 . HN parsed_2khz 1
65 . . . . . . . . . . . . . . . . 4.401 3.289 5.513 . . . 135 . N . 135 . HN parsed_2khz 1
66 . . . . . . . . . . . . . . . . 6.830 5.914 7.746 . . . 136 . N . 136 . HN parsed_2khz 1
67 . . . . . . . . . . . . . . . . -1.922 -4.394 0.550 . . . 137 . N . 137 . HN parsed_2khz 1
68 . . . . . . . . . . . . . . . . -4.308 -5.171 -3.445 . . . 138 . N . 138 . HN parsed_2khz 1
69 . . . . . . . . . . . . . . . . 20.140 19.336 20.944 . . . 139 . N . 139 . HN parsed_2khz 1
70 . . . . . . . . . . . . . . . . 21.817 21.096 22.538 . . . 140 . N . 140 . HN parsed_2khz 1
71 . . . . . . . . . . . . . . . . 16.349 15.337 17.361 . . . 143 . N . 143 . HN parsed_2khz 1
72 . . . . . . . . . . . . . . . . 19.025 18.375 19.675 . . . 145 . N . 145 . HN parsed_2khz 1
73 . . . . . . . . . . . . . . . . 18.921 18.363 19.479 . . . 148 . N . 148 . HN parsed_2khz 1
74 . . . . . . . . . . . . . . . . 13.035 12.593 13.477 . . . 149 . N . 149 . HN parsed_2khz 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 "Residual Dipolar Couplings (RDC) (minus redundant restraints from residues 201-363)" 1 1 1 85 parsed_2khz 1
stop_
save_
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