NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
533479 |
2ky9   |
27741 | cing | 2-parsed | STAR | dipolar coupling | 85 |
data_2ky9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ky9
_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_2ky9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ky9
_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 2ky9 "Master copy" parsed_2ky9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ky9
_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 2ky9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ky9 1
1 2ky9.mr . . XPLOR/CNS 2 distance NOE simple 1797 parsed_2ky9 1
1 2ky9.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 212 parsed_2ky9 1
1 2ky9.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 85 parsed_2ky9 1
1 2ky9.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2ky9 1
1 2ky9.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2ky9 1
1 2ky9.mr . . XPLOR/CNS 7 distance NOE simple 0 parsed_2ky9 1
1 2ky9.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ky9 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2ky9
_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 . . . . . . . . . . . . . . . . 3.3100 . . . . . 3 . N . 3 . HN parsed_2ky9 1
2 . . . . . . . . . . . . . . . . 7.7200 . . . . . 4 . N . 4 . HN parsed_2ky9 1
3 . . . . . . . . . . . . . . . . 14.0500 . . . . . 5 . N . 5 . HN parsed_2ky9 1
4 . . . . . . . . . . . . . . . . 4.5800 . . . . . 6 . N . 6 . HN parsed_2ky9 1
5 . . . . . . . . . . . . . . . . -13.2200 . . . . . 7 . N . 7 . HN parsed_2ky9 1
6 . . . . . . . . . . . . . . . . -4.7300 . . . . . 9 . N . 9 . HN parsed_2ky9 1
7 . . . . . . . . . . . . . . . . 2.3000 . . . . . 10 . N . 10 . HN parsed_2ky9 1
8 . . . . . . . . . . . . . . . . -5.2900 . . . . . 11 . N . 11 . HN parsed_2ky9 1
9 . . . . . . . . . . . . . . . . 11.3600 . . . . . 17 . N . 17 . HN parsed_2ky9 1
10 . . . . . . . . . . . . . . . . 2.8200 . . . . . 18 . N . 18 . HN parsed_2ky9 1
11 . . . . . . . . . . . . . . . . 2.7100 . . . . . 19 . N . 19 . HN parsed_2ky9 1
12 . . . . . . . . . . . . . . . . -4.7900 . . . . . 21 . N . 21 . HN parsed_2ky9 1
13 . . . . . . . . . . . . . . . . -1.7800 . . . . . 23 . N . 23 . HN parsed_2ky9 1
14 . . . . . . . . . . . . . . . . 4.4700 . . . . . 24 . N . 24 . HN parsed_2ky9 1
15 . . . . . . . . . . . . . . . . 6.7200 . . . . . 25 . N . 25 . HN parsed_2ky9 1
16 . . . . . . . . . . . . . . . . -7.5700 . . . . . 26 . N . 26 . HN parsed_2ky9 1
17 . . . . . . . . . . . . . . . . -4.9400 . . . . . 27 . N . 27 . HN parsed_2ky9 1
18 . . . . . . . . . . . . . . . . -5.4700 . . . . . 29 . N . 29 . HN parsed_2ky9 1
19 . . . . . . . . . . . . . . . . -16.5200 . . . . . 32 . N . 32 . HN parsed_2ky9 1
20 . . . . . . . . . . . . . . . . -3.6200 . . . . . 34 . N . 34 . HN parsed_2ky9 1
21 . . . . . . . . . . . . . . . . 8.5900 . . . . . 36 . N . 36 . HN parsed_2ky9 1
22 . . . . . . . . . . . . . . . . 9.1400 . . . . . 37 . N . 37 . HN parsed_2ky9 1
23 . . . . . . . . . . . . . . . . 7.3400 . . . . . 38 . N . 38 . HN parsed_2ky9 1
24 . . . . . . . . . . . . . . . . 3.5300 . . . . . 41 . N . 41 . HN parsed_2ky9 1
25 . . . . . . . . . . . . . . . . -2.7200 . . . . . 42 . N . 42 . HN parsed_2ky9 1
26 . . . . . . . . . . . . . . . . 3.5700 . . . . . 43 . N . 43 . HN parsed_2ky9 1
27 . . . . . . . . . . . . . . . . 8.4400 . . . . . 44 . N . 44 . HN parsed_2ky9 1
28 . . . . . . . . . . . . . . . . 6.5100 . . . . . 45 . N . 45 . HN parsed_2ky9 1
29 . . . . . . . . . . . . . . . . 5.2100 . . . . . 47 . N . 47 . HN parsed_2ky9 1
30 . . . . . . . . . . . . . . . . 17.1400 . . . . . 48 . N . 48 . HN parsed_2ky9 1
31 . . . . . . . . . . . . . . . . 15.0400 . . . . . 49 . N . 49 . HN parsed_2ky9 1
32 . . . . . . . . . . . . . . . . 3.4800 . . . . . 50 . N . 50 . HN parsed_2ky9 1
33 . . . . . . . . . . . . . . . . 8.2400 . . . . . 51 . N . 51 . HN parsed_2ky9 1
34 . . . . . . . . . . . . . . . . -12.9300 . . . . . 52 . N . 52 . HN parsed_2ky9 1
35 . . . . . . . . . . . . . . . . -16.6300 . . . . . 53 . N . 53 . HN parsed_2ky9 1
36 . . . . . . . . . . . . . . . . -7.7400 . . . . . 54 . N . 54 . HN parsed_2ky9 1
37 . . . . . . . . . . . . . . . . 9.1000 . . . . . 55 . N . 55 . HN parsed_2ky9 1
38 . . . . . . . . . . . . . . . . -15.9600 . . . . . 56 . N . 56 . HN parsed_2ky9 1
39 . . . . . . . . . . . . . . . . -2.7700 . . . . . 57 . N . 57 . HN parsed_2ky9 1
40 . . . . . . . . . . . . . . . . -3.1700 . . . . . 59 . N . 59 . HN parsed_2ky9 1
41 . . . . . . . . . . . . . . . . 0.5900 . . . . . 60 . N . 60 . HN parsed_2ky9 1
42 . . . . . . . . . . . . . . . . -12.8200 . . . . . 61 . N . 61 . HN parsed_2ky9 1
43 . . . . . . . . . . . . . . . . -9.9800 . . . . . 63 . N . 63 . HN parsed_2ky9 1
44 . . . . . . . . . . . . . . . . -1.1700 . . . . . 64 . N . 64 . HN parsed_2ky9 1
45 . . . . . . . . . . . . . . . . 9.2800 . . . . . 65 . N . 65 . HN parsed_2ky9 1
46 . . . . . . . . . . . . . . . . 5.7100 . . . . . 66 . N . 66 . HN parsed_2ky9 1
47 . . . . . . . . . . . . . . . . 6.7900 . . . . . 68 . N . 68 . HN parsed_2ky9 1
48 . . . . . . . . . . . . . . . . 4.9900 . . . . . 69 . N . 69 . HN parsed_2ky9 1
49 . . . . . . . . . . . . . . . . 10.8400 . . . . . 70 . N . 70 . HN parsed_2ky9 1
50 . . . . . . . . . . . . . . . . 3.5900 . . . . . 71 . N . 71 . HN parsed_2ky9 1
51 . . . . . . . . . . . . . . . . -0.2600 . . . . . 72 . N . 72 . HN parsed_2ky9 1
52 . . . . . . . . . . . . . . . . 1.5400 . . . . . 73 . N . 73 . HN parsed_2ky9 1
53 . . . . . . . . . . . . . . . . -13.0900 . . . . . 74 . N . 74 . HN parsed_2ky9 1
54 . . . . . . . . . . . . . . . . 6.5800 . . . . . 76 . N . 76 . HN parsed_2ky9 1
55 . . . . . . . . . . . . . . . . -1.7200 . . . . . 77 . N . 77 . HN parsed_2ky9 1
56 . . . . . . . . . . . . . . . . 4.8400 . . . . . 82 . N . 82 . HN parsed_2ky9 1
57 . . . . . . . . . . . . . . . . -7.8300 . . . . . 83 . N . 83 . HN parsed_2ky9 1
58 . . . . . . . . . . . . . . . . 16.7800 . . . . . 84 . N . 84 . HN parsed_2ky9 1
59 . . . . . . . . . . . . . . . . -2.4000 . . . . . 85 . N . 85 . HN parsed_2ky9 1
60 . . . . . . . . . . . . . . . . 0.7100 . . . . . 86 . N . 86 . HN parsed_2ky9 1
61 . . . . . . . . . . . . . . . . 6.6500 . . . . . 87 . N . 87 . HN parsed_2ky9 1
62 . . . . . . . . . . . . . . . . 1.1100 . . . . . 89 . N . 89 . HN parsed_2ky9 1
63 . . . . . . . . . . . . . . . . -15.3400 . . . . . 90 . N . 90 . HN parsed_2ky9 1
64 . . . . . . . . . . . . . . . . -12.7700 . . . . . 91 . N . 91 . HN parsed_2ky9 1
65 . . . . . . . . . . . . . . . . -16.5600 . . . . . 92 . N . 92 . HN parsed_2ky9 1
66 . . . . . . . . . . . . . . . . -15.4700 . . . . . 93 . N . 93 . HN parsed_2ky9 1
67 . . . . . . . . . . . . . . . . -9.0800 . . . . . 94 . N . 94 . HN parsed_2ky9 1
68 . . . . . . . . . . . . . . . . -4.8300 . . . . . 95 . N . 95 . HN parsed_2ky9 1
69 . . . . . . . . . . . . . . . . -2.1200 . . . . . 96 . N . 96 . HN parsed_2ky9 1
70 . . . . . . . . . . . . . . . . -2.6300 . . . . . 97 . N . 97 . HN parsed_2ky9 1
71 . . . . . . . . . . . . . . . . 8.4300 . . . . . 99 . N . 99 . HN parsed_2ky9 1
72 . . . . . . . . . . . . . . . . 0.8200 . . . . . 100 . N . 100 . HN parsed_2ky9 1
73 . . . . . . . . . . . . . . . . -10.8500 . . . . . 102 . N . 102 . HN parsed_2ky9 1
74 . . . . . . . . . . . . . . . . 6.9600 . . . . . 105 . N . 105 . HN parsed_2ky9 1
75 . . . . . . . . . . . . . . . . 3.1000 . . . . . 108 . N . 108 . HN parsed_2ky9 1
76 . . . . . . . . . . . . . . . . -12.9700 . . . . . 109 . N . 109 . HN parsed_2ky9 1
77 . . . . . . . . . . . . . . . . -8.1500 . . . . . 110 . N . 110 . HN parsed_2ky9 1
78 . . . . . . . . . . . . . . . . -5.3900 . . . . . 111 . N . 111 . HN parsed_2ky9 1
79 . . . . . . . . . . . . . . . . 12.2600 . . . . . 112 . N . 112 . HN parsed_2ky9 1
80 . . . . . . . . . . . . . . . . 15.7300 . . . . . 113 . N . 113 . HN parsed_2ky9 1
81 . . . . . . . . . . . . . . . . -6.4200 . . . . . 114 . N . 114 . HN parsed_2ky9 1
82 . . . . . . . . . . . . . . . . -1.1300 . . . . . 116 . N . 116 . HN parsed_2ky9 1
83 . . . . . . . . . . . . . . . . -1.9500 . . . . . 120 . N . 120 . HN parsed_2ky9 1
84 . . . . . . . . . . . . . . . . -3.3900 . . . . . 121 . N . 121 . HN parsed_2ky9 1
85 . . . . . . . . . . . . . . . . -11.2300 . . . . . 122 . N . 122 . HN parsed_2ky9 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 "RDC data for sr518" 1 1 1 21 parsed_2ky9 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=rdc1
potential=harmonic
forceconstant=1.000
coefficient 0.0 8.68000 0.590000
;
2 1 5 32 parsed_2ky9 1
stop_
save_
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