NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
512695 |
2le1   |
17688 | cing | 2-parsed | STAR | dipolar coupling | 59 |
data_2le1_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2le1
_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_2le1 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2le1
_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 2le1 "Master copy" parsed_2le1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2le1
_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 2le1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2le1 1
1 2le1.mr . . XPLOR/CNS 2 distance NOE simple 3877 parsed_2le1 1
1 2le1.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 72 parsed_2le1 1
1 2le1.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 59 parsed_2le1 1
1 2le1.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2le1 1
1 2le1.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2le1 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2le1
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . -19.2100 . . . . . 3 . N . 3 . HN parsed_2le1 1
2 . . . . . . . . . . . . . . . . -17.3800 . . . . . 6 . N . 6 . HN parsed_2le1 1
3 . . . . . . . . . . . . . . . . -17.4400 . . . . . 7 . N . 7 . HN parsed_2le1 1
4 . . . . . . . . . . . . . . . . -15.7300 . . . . . 8 . N . 8 . HN parsed_2le1 1
5 . . . . . . . . . . . . . . . . -13.7800 . . . . . 9 . N . 9 . HN parsed_2le1 1
6 . . . . . . . . . . . . . . . . -15.2700 . . . . . 10 . N . 10 . HN parsed_2le1 1
7 . . . . . . . . . . . . . . . . -6.7100 . . . . . 11 . N . 11 . HN parsed_2le1 1
8 . . . . . . . . . . . . . . . . -2.8800 . . . . . 14 . N . 14 . HN parsed_2le1 1
9 . . . . . . . . . . . . . . . . 23.7000 . . . . . 15 . N . 15 . HN parsed_2le1 1
10 . . . . . . . . . . . . . . . . 28.0400 . . . . . 16 . N . 16 . HN parsed_2le1 1
11 . . . . . . . . . . . . . . . . 4.5000 . . . . . 17 . N . 17 . HN parsed_2le1 1
12 . . . . . . . . . . . . . . . . 29.9700 . . . . . 19 . N . 19 . HN parsed_2le1 1
13 . . . . . . . . . . . . . . . . 5.0100 . . . . . 20 . N . 20 . HN parsed_2le1 1
14 . . . . . . . . . . . . . . . . 26.8400 . . . . . 21 . N . 21 . HN parsed_2le1 1
15 . . . . . . . . . . . . . . . . 17.1100 . . . . . 30 . N . 30 . HN parsed_2le1 1
16 . . . . . . . . . . . . . . . . -7.5600 . . . . . 31 . N . 31 . HN parsed_2le1 1
17 . . . . . . . . . . . . . . . . 3.6800 . . . . . 38 . N . 38 . HN parsed_2le1 1
18 . . . . . . . . . . . . . . . . -12.9100 . . . . . 39 . N . 39 . HN parsed_2le1 1
19 . . . . . . . . . . . . . . . . -16.1700 . . . . . 40 . N . 40 . HN parsed_2le1 1
20 . . . . . . . . . . . . . . . . -8.7500 . . . . . 41 . N . 41 . HN parsed_2le1 1
21 . . . . . . . . . . . . . . . . -20.3000 . . . . . 50 . N . 50 . HN parsed_2le1 1
22 . . . . . . . . . . . . . . . . -12.4800 . . . . . 52 . N . 52 . HN parsed_2le1 1
23 . . . . . . . . . . . . . . . . 20.5900 . . . . . 60 . N . 60 . HN parsed_2le1 1
24 . . . . . . . . . . . . . . . . -14.8500 . . . . . 68 . N . 68 . HN parsed_2le1 1
25 . . . . . . . . . . . . . . . . -15.4700 . . . . . 69 . N . 69 . HN parsed_2le1 1
26 . . . . . . . . . . . . . . . . -16.3500 . . . . . 74 . N . 74 . HN parsed_2le1 1
27 . . . . . . . . . . . . . . . . -14.1500 . . . . . 75 . N . 75 . HN parsed_2le1 1
28 . . . . . . . . . . . . . . . . -20.2500 . . . . . 78 . N . 78 . HN parsed_2le1 1
29 . . . . . . . . . . . . . . . . -10.6100 . . . . . 91 . N . 91 . HN parsed_2le1 1
30 . . . . . . . . . . . . . . . . -17.4800 . . . . . 92 . N . 92 . HN parsed_2le1 1
31 . . . . . . . . . . . . . . . . -15.1300 . . . . . 93 . N . 93 . HN parsed_2le1 1
32 . . . . . . . . . . . . . . . . -16.1500 . . . . . 94 . N . 94 . HN parsed_2le1 1
33 . . . . . . . . . . . . . . . . -12.5300 . . . . . 96 . N . 96 . HN parsed_2le1 1
34 . . . . . . . . . . . . . . . . -12.3400 . . . . . 102 . N . 102 . HN parsed_2le1 1
35 . . . . . . . . . . . . . . . . -14.6700 . . . . . 103 . N . 103 . HN parsed_2le1 1
36 . . . . . . . . . . . . . . . . -14.0200 . . . . . 105 . N . 105 . HN parsed_2le1 1
37 . . . . . . . . . . . . . . . . -15.4600 . . . . . 106 . N . 106 . HN parsed_2le1 1
38 . . . . . . . . . . . . . . . . -15.4400 . . . . . 107 . N . 107 . HN parsed_2le1 1
39 . . . . . . . . . . . . . . . . -18.1800 . . . . . 108 . N . 108 . HN parsed_2le1 1
40 . . . . . . . . . . . . . . . . -19.2600 . . . . . 110 . N . 110 . HN parsed_2le1 1
41 . . . . . . . . . . . . . . . . -15.6800 . . . . . 111 . N . 111 . HN parsed_2le1 1
42 . . . . . . . . . . . . . . . . -12.9200 . . . . . 112 . N . 112 . HN parsed_2le1 1
43 . . . . . . . . . . . . . . . . -3.6600 . . . . . 118 . N . 118 . HN parsed_2le1 1
44 . . . . . . . . . . . . . . . . 17.0500 . . . . . 119 . N . 119 . HN parsed_2le1 1
45 . . . . . . . . . . . . . . . . 15.2300 . . . . . 120 . N . 120 . HN parsed_2le1 1
46 . . . . . . . . . . . . . . . . -2.8900 . . . . . 121 . N . 121 . HN parsed_2le1 1
47 . . . . . . . . . . . . . . . . 1.3100 . . . . . 122 . N . 122 . HN parsed_2le1 1
48 . . . . . . . . . . . . . . . . 9.3200 . . . . . 123 . N . 123 . HN parsed_2le1 1
49 . . . . . . . . . . . . . . . . 13.0800 . . . . . 124 . N . 124 . HN parsed_2le1 1
50 . . . . . . . . . . . . . . . . 14.6400 . . . . . 131 . N . 131 . HN parsed_2le1 1
51 . . . . . . . . . . . . . . . . 30.6000 . . . . . 132 . N . 132 . HN parsed_2le1 1
52 . . . . . . . . . . . . . . . . 14.7000 . . . . . 133 . N . 133 . HN parsed_2le1 1
53 . . . . . . . . . . . . . . . . 30.7500 . . . . . 135 . N . 135 . HN parsed_2le1 1
54 . . . . . . . . . . . . . . . . 30.8600 . . . . . 136 . N . 136 . HN parsed_2le1 1
55 . . . . . . . . . . . . . . . . 18.9800 . . . . . 138 . N . 138 . HN parsed_2le1 1
56 . . . . . . . . . . . . . . . . 33.5300 . . . . . 139 . N . 139 . HN parsed_2le1 1
57 . . . . . . . . . . . . . . . . 18.1100 . . . . . 140 . N . 140 . HN parsed_2le1 1
58 . . . . . . . . . . . . . . . . 6.8300 . . . . . 141 . N . 141 . HN parsed_2le1 1
59 . . . . . . . . . . . . . . . . 27.7900 . . . . . 142 . N . 142 . HN parsed_2le1 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1
;
class=rdc2
potential=harmonic
forceconstant=0.001
coefficient 0.0 16.4600 0.108000
;
1 1 4 32 parsed_2le1 1
stop_
save_
Contact the webmaster for help, if required. Sunday, May 12, 2024 8:29:57 AM GMT (wattos1)