NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
585534 |
2mes   |
19238 | cing | 2-parsed | STAR | dipolar coupling | 78 |
data_2mes_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mes
_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_2mes 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mes
_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 2mes "Master copy" parsed_2mes
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mes
_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 2mes.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mes 1
1 2mes.mr . . XPLOR/CNS 2 distance NOE simple 34 parsed_2mes 1
1 2mes.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 30 parsed_2mes 1
1 2mes.mr . . HADDOCK 4 distance NOE ambi 0 parsed_2mes 1
1 2mes.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 12 parsed_2mes 1
1 2mes.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 17 parsed_2mes 1
1 2mes.mr . . XPLOR/CNS 7 distance "general distance" simple 64 parsed_2mes 1
1 2mes.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 78 parsed_2mes 1
1 2mes.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mes 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_8
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2mes
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . 16.044 . . . . A 6 . N A 6 . HN parsed_2mes 1
2 . . . . . . . . . . . . . . . . 16.419 . . . . A 7 . N A 7 . HN parsed_2mes 1
3 . . . . . . . . . . . . . . . . 23.277 . . . . A 8 . N A 8 . HN parsed_2mes 1
4 . . . . . . . . . . . . . . . . 21.667 . . . . A 9 . N A 9 . HN parsed_2mes 1
5 . . . . . . . . . . . . . . . . 13.123 . . . . A 10 . N A 10 . HN parsed_2mes 1
6 . . . . . . . . . . . . . . . . 19.03 . . . . A 11 . N A 11 . HN parsed_2mes 1
7 . . . . . . . . . . . . . . . . 22.995 . . . . A 12 . N A 12 . HN parsed_2mes 1
8 . . . . . . . . . . . . . . . . 12.807 . . . . A 13 . N A 13 . HN parsed_2mes 1
9 . . . . . . . . . . . . . . . . 10.808 . . . . A 14 . N A 14 . HN parsed_2mes 1
10 . . . . . . . . . . . . . . . . 20.324 . . . . A 15 . N A 15 . HN parsed_2mes 1
11 . . . . . . . . . . . . . . . . 18.711 . . . . A 16 . N A 16 . HN parsed_2mes 1
12 . . . . . . . . . . . . . . . . 6.755 . . . . A 17 . N A 17 . HN parsed_2mes 1
13 . . . . . . . . . . . . . . . . 17.246 . . . . A 18 . N A 18 . HN parsed_2mes 1
14 . . . . . . . . . . . . . . . . 20.876 . . . . A 19 . N A 19 . HN parsed_2mes 1
15 . . . . . . . . . . . . . . . . -11.909 . . . . A 29 . N A 29 . HN parsed_2mes 1
16 . . . . . . . . . . . . . . . . -10.747 . . . . A 30 . N A 30 . HN parsed_2mes 1
17 . . . . . . . . . . . . . . . . -0.317 . . . . A 31 . N A 31 . HN parsed_2mes 1
18 . . . . . . . . . . . . . . . . -11.273 . . . . A 32 . N A 32 . HN parsed_2mes 1
19 . . . . . . . . . . . . . . . . -14.061 . . . . A 33 . N A 33 . HN parsed_2mes 1
20 . . . . . . . . . . . . . . . . -6.485 . . . . A 34 . N A 34 . HN parsed_2mes 1
21 . . . . . . . . . . . . . . . . -3.261 . . . . A 35 . N A 35 . HN parsed_2mes 1
22 . . . . . . . . . . . . . . . . -12.237 . . . . A 36 . N A 36 . HN parsed_2mes 1
23 . . . . . . . . . . . . . . . . 1.018 . . . . A 37 . N A 37 . HN parsed_2mes 1
24 . . . . . . . . . . . . . . . . -1.865 . . . . A 38 . N A 38 . HN parsed_2mes 1
25 . . . . . . . . . . . . . . . . 19.836 . . . . A 45 . N A 45 . HN parsed_2mes 1
26 . . . . . . . . . . . . . . . . 12.307 . . . . A 46 . N A 46 . HN parsed_2mes 1
27 . . . . . . . . . . . . . . . . 22.923 . . . . A 47 . N A 47 . HN parsed_2mes 1
28 . . . . . . . . . . . . . . . . 17.309 . . . . A 48 . N A 48 . HN parsed_2mes 1
29 . . . . . . . . . . . . . . . . 4.612 . . . . A 49 . N A 49 . HN parsed_2mes 1
30 . . . . . . . . . . . . . . . . 19.894 . . . . A 50 . N A 50 . HN parsed_2mes 1
31 . . . . . . . . . . . . . . . . 25.317 . . . . A 51 . N A 51 . HN parsed_2mes 1
32 . . . . . . . . . . . . . . . . 19.113 . . . . A 52 . N A 52 . HN parsed_2mes 1
33 . . . . . . . . . . . . . . . . 17.47 . . . . A 53 . N A 53 . HN parsed_2mes 1
34 . . . . . . . . . . . . . . . . 16.26 . . . . A 54 . N A 54 . HN parsed_2mes 1
35 . . . . . . . . . . . . . . . . -7.626 . . . . A 65 . N A 65 . HN parsed_2mes 1
36 . . . . . . . . . . . . . . . . 8.085 . . . . A 67 . N A 67 . HN parsed_2mes 1
37 . . . . . . . . . . . . . . . . -9.392 . . . . A 68 . N A 68 . HN parsed_2mes 1
38 . . . . . . . . . . . . . . . . -4.917 . . . . A 71 . N A 71 . HN parsed_2mes 1
39 . . . . . . . . . . . . . . . . -11.925 . . . . A 72 . N A 72 . HN parsed_2mes 1
40 . . . . . . . . . . . . . . . . -12.331 . . . . A 73 . N A 73 . HN parsed_2mes 1
41 . . . . . . . . . . . . . . . . -0.986 . . . . A 74 . N A 74 . HN parsed_2mes 1
42 . . . . . . . . . . . . . . . . 11.332 . . . . A 84 . N A 84 . HN parsed_2mes 1
43 . . . . . . . . . . . . . . . . 6.949 . . . . A 85 . N A 85 . HN parsed_2mes 1
44 . . . . . . . . . . . . . . . . -2.47 . . . . A 86 . N A 86 . HN parsed_2mes 1
45 . . . . . . . . . . . . . . . . 7.227 . . . . A 87 . N A 87 . HN parsed_2mes 1
46 . . . . . . . . . . . . . . . . 18.761 . . . . A 88 . N A 88 . HN parsed_2mes 1
47 . . . . . . . . . . . . . . . . -8.674 . . . . A 89 . N A 89 . HN parsed_2mes 1
48 . . . . . . . . . . . . . . . . 18.524 . . . . A 91 . N A 91 . HN parsed_2mes 1
49 . . . . . . . . . . . . . . . . 9.847 . . . . A 92 . N A 92 . HN parsed_2mes 1
50 . . . . . . . . . . . . . . . . -8.853 . . . . A 102 . N A 102 . HN parsed_2mes 1
51 . . . . . . . . . . . . . . . . 13.632 . . . . A 103 . N A 103 . HN parsed_2mes 1
52 . . . . . . . . . . . . . . . . 1.634 . . . . A 104 . N A 104 . HN parsed_2mes 1
53 . . . . . . . . . . . . . . . . -8.986 . . . . A 105 . N A 105 . HN parsed_2mes 1
54 . . . . . . . . . . . . . . . . -4.533 . . . . A 106 . N A 106 . HN parsed_2mes 1
55 . . . . . . . . . . . . . . . . -2.402 . . . . A 107 . N A 107 . HN parsed_2mes 1
56 . . . . . . . . . . . . . . . . -0.16 . . . . A 108 . N A 108 . HN parsed_2mes 1
57 . . . . . . . . . . . . . . . . -7.937 . . . . A 109 . N A 109 . HN parsed_2mes 1
58 . . . . . . . . . . . . . . . . -1.698 . . . . A 110 . N A 110 . HN parsed_2mes 1
59 . . . . . . . . . . . . . . . . 1.158 . . . . A 111 . N A 111 . HN parsed_2mes 1
60 . . . . . . . . . . . . . . . . -5.565 . . . . A 112 . N A 112 . HN parsed_2mes 1
61 . . . . . . . . . . . . . . . . 7.069 . . . . A 118 . N A 118 . HN parsed_2mes 1
62 . . . . . . . . . . . . . . . . 2.919 . . . . A 119 . N A 119 . HN parsed_2mes 1
63 . . . . . . . . . . . . . . . . 15.083 . . . . A 120 . N A 120 . HN parsed_2mes 1
64 . . . . . . . . . . . . . . . . 11.495 . . . . A 121 . N A 121 . HN parsed_2mes 1
65 . . . . . . . . . . . . . . . . 2.788 . . . . A 122 . N A 122 . HN parsed_2mes 1
66 . . . . . . . . . . . . . . . . 7.727 . . . . A 123 . N A 123 . HN parsed_2mes 1
67 . . . . . . . . . . . . . . . . 15.713 . . . . A 124 . N A 124 . HN parsed_2mes 1
68 . . . . . . . . . . . . . . . . 8.176 . . . . A 125 . N A 125 . HN parsed_2mes 1
69 . . . . . . . . . . . . . . . . 11.828 . . . . A 127 . N A 127 . HN parsed_2mes 1
70 . . . . . . . . . . . . . . . . 15.841 . . . . A 128 . N A 128 . HN parsed_2mes 1
71 . . . . . . . . . . . . . . . . 5.511 . . . . A 138 . N A 138 . HN parsed_2mes 1
72 . . . . . . . . . . . . . . . . 2.853 . . . . A 139 . N A 139 . HN parsed_2mes 1
73 . . . . . . . . . . . . . . . . 13.369 . . . . A 140 . N A 140 . HN parsed_2mes 1
74 . . . . . . . . . . . . . . . . 6.485 . . . . A 141 . N A 141 . HN parsed_2mes 1
75 . . . . . . . . . . . . . . . . 3.397 . . . . A 142 . N A 142 . HN parsed_2mes 1
76 . . . . . . . . . . . . . . . . 4.485 . . . . A 143 . N A 143 . HN parsed_2mes 1
77 . . . . . . . . . . . . . . . . 8.971 . . . . A 144 . N A 144 . HN parsed_2mes 1
78 . . . . . . . . . . . . . . . . 0.932 . . . . A 145 . N A 145 . HN parsed_2mes 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 measured in ~17mg/ml Pf1 at 20mM Tris-d11, 50mM NaCl,
!! 1mM CaCl2, DTT-d, pH 7.0. The quadrapolar splitting of the liquid crystal
!! is 19.06 Hz
!! NH Couplings
;
1 1 4 17 parsed_2mes 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 14, 2024 6:08:42 AM GMT (wattos1)