NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
501880 |
2l9p   |
17481 | cing | 2-parsed | STAR | dipolar coupling | 84 |
data_2l9p_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l9p
_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_2l9p 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l9p
_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 2l9p "Master copy" parsed_2l9p
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l9p
_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 2l9p.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l9p 1
1 2l9p.mr . . XPLOR/CNS 2 distance NOE simple 1648 parsed_2l9p 1
1 2l9p.mr . . XPLOR/CNS 3 distance NOE simple 3242 parsed_2l9p 1
1 2l9p.mr . . XPLOR/CNS 4 distance NOE simple 490 parsed_2l9p 1
1 2l9p.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 202 parsed_2l9p 1
1 2l9p.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 84 parsed_2l9p 1
1 2l9p.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l9p 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2l9p
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . -14.9200 . . . . . 6 . N . 6 . HN parsed_2l9p 1
2 . . . . . . . . . . . . . . . . 24.5200 . . . . . 8 . N . 8 . HN parsed_2l9p 1
3 . . . . . . . . . . . . . . . . -5.3600 . . . . . 10 . N . 10 . HN parsed_2l9p 1
4 . . . . . . . . . . . . . . . . 13.9300 . . . . . 11 . N . 11 . HN parsed_2l9p 1
5 . . . . . . . . . . . . . . . . 27.7400 . . . . . 13 . N . 13 . HN parsed_2l9p 1
6 . . . . . . . . . . . . . . . . 26.0200 . . . . . 16 . N . 16 . HN parsed_2l9p 1
7 . . . . . . . . . . . . . . . . -5.5200 . . . . . 18 . N . 18 . HN parsed_2l9p 1
8 . . . . . . . . . . . . . . . . -15.2200 . . . . . 23 . N . 23 . HN parsed_2l9p 1
9 . . . . . . . . . . . . . . . . -13.0400 . . . . . 24 . N . 24 . HN parsed_2l9p 1
10 . . . . . . . . . . . . . . . . -3.5500 . . . . . 27 . N . 27 . HN parsed_2l9p 1
11 . . . . . . . . . . . . . . . . -0.4500 . . . . . 29 . N . 29 . HN parsed_2l9p 1
12 . . . . . . . . . . . . . . . . 22.4100 . . . . . 30 . N . 30 . HN parsed_2l9p 1
13 . . . . . . . . . . . . . . . . 34.7000 . . . . . 31 . N . 31 . HN parsed_2l9p 1
14 . . . . . . . . . . . . . . . . 15.6900 . . . . . 32 . N . 32 . HN parsed_2l9p 1
15 . . . . . . . . . . . . . . . . 33.9900 . . . . . 33 . N . 33 . HN parsed_2l9p 1
16 . . . . . . . . . . . . . . . . 19.0800 . . . . . 37 . N . 37 . HN parsed_2l9p 1
17 . . . . . . . . . . . . . . . . -14.5500 . . . . . 42 . N . 42 . HN parsed_2l9p 1
18 . . . . . . . . . . . . . . . . -14.0500 . . . . . 43 . N . 43 . HN parsed_2l9p 1
19 . . . . . . . . . . . . . . . . -8.6800 . . . . . 46 . N . 46 . HN parsed_2l9p 1
20 . . . . . . . . . . . . . . . . -2.2300 . . . . . 47 . N . 47 . HN parsed_2l9p 1
21 . . . . . . . . . . . . . . . . 6.4300 . . . . . 50 . N . 50 . HN parsed_2l9p 1
22 . . . . . . . . . . . . . . . . -6.8900 . . . . . 51 . N . 51 . HN parsed_2l9p 1
23 . . . . . . . . . . . . . . . . 2.3300 . . . . . 53 . N . 53 . HN parsed_2l9p 1
24 . . . . . . . . . . . . . . . . 13.4800 . . . . . 54 . N . 54 . HN parsed_2l9p 1
25 . . . . . . . . . . . . . . . . -2.3200 . . . . . 56 . N . 56 . HN parsed_2l9p 1
26 . . . . . . . . . . . . . . . . -0.4100 . . . . . 57 . N . 57 . HN parsed_2l9p 1
27 . . . . . . . . . . . . . . . . 1.2600 . . . . . 58 . N . 58 . HN parsed_2l9p 1
28 . . . . . . . . . . . . . . . . -0.9900 . . . . . 59 . N . 59 . HN parsed_2l9p 1
29 . . . . . . . . . . . . . . . . -11.3200 . . . . . 61 . N . 61 . HN parsed_2l9p 1
30 . . . . . . . . . . . . . . . . -21.7200 . . . . . 63 . N . 63 . HN parsed_2l9p 1
31 . . . . . . . . . . . . . . . . -16.0800 . . . . . 65 . N . 65 . HN parsed_2l9p 1
32 . . . . . . . . . . . . . . . . -12.4500 . . . . . 66 . N . 66 . HN parsed_2l9p 1
33 . . . . . . . . . . . . . . . . -5.6300 . . . . . 69 . N . 69 . HN parsed_2l9p 1
34 . . . . . . . . . . . . . . . . -1.1900 . . . . . 70 . N . 70 . HN parsed_2l9p 1
35 . . . . . . . . . . . . . . . . 2.1700 . . . . . 71 . N . 71 . HN parsed_2l9p 1
36 . . . . . . . . . . . . . . . . -2.7700 . . . . . 72 . N . 72 . HN parsed_2l9p 1
37 . . . . . . . . . . . . . . . . 5.3400 . . . . . 73 . N . 73 . HN parsed_2l9p 1
38 . . . . . . . . . . . . . . . . -12.8200 . . . . . 74 . N . 74 . HN parsed_2l9p 1
39 . . . . . . . . . . . . . . . . 32.2100 . . . . . 76 . N . 76 . HN parsed_2l9p 1
40 . . . . . . . . . . . . . . . . 28.1300 . . . . . 78 . N . 78 . HN parsed_2l9p 1
41 . . . . . . . . . . . . . . . . 7.6500 . . . . . 83 . N . 83 . HN parsed_2l9p 1
42 . . . . . . . . . . . . . . . . 16.7600 . . . . . 84 . N . 84 . HN parsed_2l9p 1
43 . . . . . . . . . . . . . . . . 5.6000 . . . . . 85 . N . 85 . HN parsed_2l9p 1
44 . . . . . . . . . . . . . . . . 4.7900 . . . . . 88 . N . 88 . HN parsed_2l9p 1
45 . . . . . . . . . . . . . . . . -7.2400 . . . . . 89 . N . 89 . HN parsed_2l9p 1
46 . . . . . . . . . . . . . . . . -4.5500 . . . . . 90 . N . 90 . HN parsed_2l9p 1
47 . . . . . . . . . . . . . . . . 27.6500 . . . . . 91 . N . 91 . HN parsed_2l9p 1
48 . . . . . . . . . . . . . . . . 20.7300 . . . . . 92 . N . 92 . HN parsed_2l9p 1
49 . . . . . . . . . . . . . . . . 3.2600 . . . . . 93 . N . 93 . HN parsed_2l9p 1
50 . . . . . . . . . . . . . . . . 27.3100 . . . . . 95 . N . 95 . HN parsed_2l9p 1
51 . . . . . . . . . . . . . . . . -23.1600 . . . . . 98 . N . 98 . HN parsed_2l9p 1
52 . . . . . . . . . . . . . . . . -5.7600 . . . . . 99 . N . 99 . HN parsed_2l9p 1
53 . . . . . . . . . . . . . . . . 8.9800 . . . . . 100 . N . 100 . HN parsed_2l9p 1
54 . . . . . . . . . . . . . . . . 3.9000 . . . . . 104 . N . 104 . HN parsed_2l9p 1
55 . . . . . . . . . . . . . . . . -0.8800 . . . . . 105 . N . 105 . HN parsed_2l9p 1
56 . . . . . . . . . . . . . . . . 20.0400 . . . . . 106 . N . 106 . HN parsed_2l9p 1
57 . . . . . . . . . . . . . . . . 21.4300 . . . . . 114 . N . 114 . HN parsed_2l9p 1
58 . . . . . . . . . . . . . . . . 29.1900 . . . . . 117 . N . 117 . HN parsed_2l9p 1
59 . . . . . . . . . . . . . . . . 16.7600 . . . . . 120 . N . 120 . HN parsed_2l9p 1
60 . . . . . . . . . . . . . . . . 16.4200 . . . . . 121 . N . 121 . HN parsed_2l9p 1
61 . . . . . . . . . . . . . . . . 2.8700 . . . . . 122 . N . 122 . HN parsed_2l9p 1
62 . . . . . . . . . . . . . . . . 5.2900 . . . . . 123 . N . 123 . HN parsed_2l9p 1
63 . . . . . . . . . . . . . . . . 11.0600 . . . . . 129 . N . 129 . HN parsed_2l9p 1
64 . . . . . . . . . . . . . . . . -0.9400 . . . . . 130 . N . 130 . HN parsed_2l9p 1
65 . . . . . . . . . . . . . . . . -6.7200 . . . . . 131 . N . 131 . HN parsed_2l9p 1
66 . . . . . . . . . . . . . . . . 2.6800 . . . . . 132 . N . 132 . HN parsed_2l9p 1
67 . . . . . . . . . . . . . . . . 12.5300 . . . . . 133 . N . 133 . HN parsed_2l9p 1
68 . . . . . . . . . . . . . . . . -2.0000 . . . . . 134 . N . 134 . HN parsed_2l9p 1
69 . . . . . . . . . . . . . . . . 20.7000 . . . . . 136 . N . 136 . HN parsed_2l9p 1
70 . . . . . . . . . . . . . . . . -11.0300 . . . . . 137 . N . 137 . HN parsed_2l9p 1
71 . . . . . . . . . . . . . . . . -8.4000 . . . . . 138 . N . 138 . HN parsed_2l9p 1
72 . . . . . . . . . . . . . . . . 3.7900 . . . . . 140 . N . 140 . HN parsed_2l9p 1
73 . . . . . . . . . . . . . . . . -1.7800 . . . . . 141 . N . 141 . HN parsed_2l9p 1
74 . . . . . . . . . . . . . . . . 3.1300 . . . . . 142 . N . 142 . HN parsed_2l9p 1
75 . . . . . . . . . . . . . . . . 13.2000 . . . . . 143 . N . 143 . HN parsed_2l9p 1
76 . . . . . . . . . . . . . . . . 1.9600 . . . . . 144 . N . 144 . HN parsed_2l9p 1
77 . . . . . . . . . . . . . . . . -4.4100 . . . . . 145 . N . 145 . HN parsed_2l9p 1
78 . . . . . . . . . . . . . . . . 11.2400 . . . . . 147 . N . 147 . HN parsed_2l9p 1
79 . . . . . . . . . . . . . . . . -8.0200 . . . . . 148 . N . 148 . HN parsed_2l9p 1
80 . . . . . . . . . . . . . . . . 13.5600 . . . . . 150 . N . 150 . HN parsed_2l9p 1
81 . . . . . . . . . . . . . . . . 0.7300 . . . . . 151 . N . 151 . HN parsed_2l9p 1
82 . . . . . . . . . . . . . . . . -3.7400 . . . . . 152 . N . 152 . HN parsed_2l9p 1
83 . . . . . . . . . . . . . . . . 9.1200 . . . . . 154 . N . 154 . HN parsed_2l9p 1
84 . . . . . . . . . . . . . . . . -10.0500 . . . . . 155 . N . 155 . HN parsed_2l9p 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 ser147" 1 1 1 22 parsed_2l9p 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=0.001
coefficient 0.0 12.5300 0.400000
;
2 1 5 32 parsed_2l9p 1
stop_
save_
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