NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
533773 |
2l4i   |
cing | 2-parsed | STAR | dipolar coupling | 95 |
data_2l4i_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l4i
_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_2l4i 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l4i
_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 2l4i "Master copy" parsed_2l4i
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l4i
_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 2l4i.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l4i 1
1 2l4i.mr . . XPLOR/CNS 2 distance NOE simple 432 parsed_2l4i 1
1 2l4i.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 108 parsed_2l4i 1
1 2l4i.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 359 parsed_2l4i 1
1 2l4i.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 95 parsed_2l4i 1
1 2l4i.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2l4i 1
1 2l4i.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l4i 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2l4i
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . 8.6062 . . . . . 8 . N . 8 . HN parsed_2l4i 1
2 . . . . . . . . . . . . . . . . 16.3509 . . . . . 11 . N . 11 . HN parsed_2l4i 1
3 . . . . . . . . . . . . . . . . 5.1425 . . . . . 12 . N . 12 . HN parsed_2l4i 1
4 . . . . . . . . . . . . . . . . 12.7346 . . . . . 14 . N . 14 . HN parsed_2l4i 1
5 . . . . . . . . . . . . . . . . 4.0468 . . . . . 16 . N . 16 . HN parsed_2l4i 1
6 . . . . . . . . . . . . . . . . 6.5591 . . . . . 17 . N . 17 . HN parsed_2l4i 1
7 . . . . . . . . . . . . . . . . 20.1005 . . . . . 18 . N . 18 . HN parsed_2l4i 1
8 . . . . . . . . . . . . . . . . 9.2720 . . . . . 19 . N . 19 . HN parsed_2l4i 1
9 . . . . . . . . . . . . . . . . -0.6268 . . . . . 22 . N . 22 . HN parsed_2l4i 1
10 . . . . . . . . . . . . . . . . 10.2235 . . . . . 23 . N . 23 . HN parsed_2l4i 1
11 . . . . . . . . . . . . . . . . 6.7604 . . . . . 25 . N . 25 . HN parsed_2l4i 1
12 . . . . . . . . . . . . . . . . 11.0553 . . . . . 26 . N . 26 . HN parsed_2l4i 1
13 . . . . . . . . . . . . . . . . -3.0205 . . . . . 28 . N . 28 . HN parsed_2l4i 1
14 . . . . . . . . . . . . . . . . 10.3944 . . . . . 29 . N . 29 . HN parsed_2l4i 1
15 . . . . . . . . . . . . . . . . 5.7170 . . . . . 30 . N . 30 . HN parsed_2l4i 1
16 . . . . . . . . . . . . . . . . -9.9487 . . . . . 31 . N . 31 . HN parsed_2l4i 1
17 . . . . . . . . . . . . . . . . 0.8816 . . . . . 32 . N . 32 . HN parsed_2l4i 1
18 . . . . . . . . . . . . . . . . -4.2961 . . . . . 34 . N . 34 . HN parsed_2l4i 1
19 . . . . . . . . . . . . . . . . -11.4742 . . . . . 35 . N . 35 . HN parsed_2l4i 1
20 . . . . . . . . . . . . . . . . 11.2966 . . . . . 36 . N . 36 . HN parsed_2l4i 1
21 . . . . . . . . . . . . . . . . 6.2867 . . . . . 37 . N . 37 . HN parsed_2l4i 1
22 . . . . . . . . . . . . . . . . -27.7017 . . . . . 38 . N . 38 . HN parsed_2l4i 1
23 . . . . . . . . . . . . . . . . -11.8013 . . . . . 41 . N . 41 . HN parsed_2l4i 1
24 . . . . . . . . . . . . . . . . 5.3048 . . . . . 42 . N . 42 . HN parsed_2l4i 1
25 . . . . . . . . . . . . . . . . 13.2970 . . . . . 43 . N . 43 . HN parsed_2l4i 1
26 . . . . . . . . . . . . . . . . -13.7840 . . . . . 44 . N . 44 . HN parsed_2l4i 1
27 . . . . . . . . . . . . . . . . -3.7514 . . . . . 46 . N . 46 . HN parsed_2l4i 1
28 . . . . . . . . . . . . . . . . -12.7212 . . . . . 47 . N . 47 . HN parsed_2l4i 1
29 . . . . . . . . . . . . . . . . 4.5624 . . . . . 50 . N . 50 . HN parsed_2l4i 1
30 . . . . . . . . . . . . . . . . -24.9870 . . . . . 51 . N . 51 . HN parsed_2l4i 1
31 . . . . . . . . . . . . . . . . 13.6344 . . . . . 53 . N . 53 . HN parsed_2l4i 1
32 . . . . . . . . . . . . . . . . -16.3886 . . . . . 55 . N . 55 . HN parsed_2l4i 1
33 . . . . . . . . . . . . . . . . -6.6375 . . . . . 56 . N . 56 . HN parsed_2l4i 1
34 . . . . . . . . . . . . . . . . 4.5697 . . . . . 57 . N . 57 . HN parsed_2l4i 1
35 . . . . . . . . . . . . . . . . -20.4282 . . . . . 58 . N . 58 . HN parsed_2l4i 1
36 . . . . . . . . . . . . . . . . -4.6804 . . . . . 59 . N . 59 . HN parsed_2l4i 1
37 . . . . . . . . . . . . . . . . 18.6176 . . . . . 60 . N . 60 . HN parsed_2l4i 1
38 . . . . . . . . . . . . . . . . -11.5575 . . . . . 61 . N . 61 . HN parsed_2l4i 1
39 . . . . . . . . . . . . . . . . 10.9270 . . . . . 63 . N . 63 . HN parsed_2l4i 1
40 . . . . . . . . . . . . . . . . 17.1748 . . . . . 64 . N . 64 . HN parsed_2l4i 1
41 . . . . . . . . . . . . . . . . -11.7064 . . . . . 65 . N . 65 . HN parsed_2l4i 1
42 . . . . . . . . . . . . . . . . 20.2421 . . . . . 67 . N . 67 . HN parsed_2l4i 1
43 . . . . . . . . . . . . . . . . 5.9997 . . . . . 70 . N . 70 . HN parsed_2l4i 1
44 . . . . . . . . . . . . . . . . 10.1779 . . . . . 72 . N . 72 . HN parsed_2l4i 1
45 . . . . . . . . . . . . . . . . 8.0888 . . . . . 73 . N . 73 . HN parsed_2l4i 1
46 . . . . . . . . . . . . . . . . 4.9856 . . . . . 74 . N . 74 . HN parsed_2l4i 1
47 . . . . . . . . . . . . . . . . 12.3704 . . . . . 75 . N . 75 . HN parsed_2l4i 1
48 . . . . . . . . . . . . . . . . 7.4097 . . . . . 76 . N . 76 . HN parsed_2l4i 1
49 . . . . . . . . . . . . . . . . 6.3433 . . . . . 77 . N . 77 . HN parsed_2l4i 1
50 . . . . . . . . . . . . . . . . -2.4350 . . . . . 78 . N . 78 . HN parsed_2l4i 1
51 . . . . . . . . . . . . . . . . 2.6886 . . . . . 83 . N . 83 . HN parsed_2l4i 1
52 . . . . . . . . . . . . . . . . 7.4401 . . . . . 85 . N . 85 . HN parsed_2l4i 1
53 . . . . . . . . . . . . . . . . 8.4694 . . . . . 86 . N . 86 . HN parsed_2l4i 1
54 . . . . . . . . . . . . . . . . 20.4586 . . . . . 88 . N . 88 . HN parsed_2l4i 1
55 . . . . . . . . . . . . . . . . 11.7131 . . . . . 89 . N . 89 . HN parsed_2l4i 1
56 . . . . . . . . . . . . . . . . 16.6422 . . . . . 92 . N . 92 . HN parsed_2l4i 1
57 . . . . . . . . . . . . . . . . 10.5014 . . . . . 93 . N . 93 . HN parsed_2l4i 1
58 . . . . . . . . . . . . . . . . 19.8773 . . . . . 94 . N . 94 . HN parsed_2l4i 1
59 . . . . . . . . . . . . . . . . 8.1502 . . . . . 96 . N . 96 . HN parsed_2l4i 1
60 . . . . . . . . . . . . . . . . 4.7199 . . . . . 99 . N . 99 . HN parsed_2l4i 1
61 . . . . . . . . . . . . . . . . 17.8381 . . . . . 101 . N . 101 . HN parsed_2l4i 1
62 . . . . . . . . . . . . . . . . 7.4054 . . . . . 102 . N . 102 . HN parsed_2l4i 1
63 . . . . . . . . . . . . . . . . -27.4324 . . . . . 106 . N . 106 . HN parsed_2l4i 1
64 . . . . . . . . . . . . . . . . -16.4002 . . . . . 107 . N . 107 . HN parsed_2l4i 1
65 . . . . . . . . . . . . . . . . -10.6315 . . . . . 108 . N . 108 . HN parsed_2l4i 1
66 . . . . . . . . . . . . . . . . -13.3365 . . . . . 111 . N . 111 . HN parsed_2l4i 1
67 . . . . . . . . . . . . . . . . -25.4576 . . . . . 113 . N . 113 . HN parsed_2l4i 1
68 . . . . . . . . . . . . . . . . 19.9430 . . . . . 117 . N . 117 . HN parsed_2l4i 1
69 . . . . . . . . . . . . . . . . 19.7424 . . . . . 118 . N . 118 . HN parsed_2l4i 1
70 . . . . . . . . . . . . . . . . 12.8154 . . . . . 120 . N . 120 . HN parsed_2l4i 1
71 . . . . . . . . . . . . . . . . 3.4723 . . . . . 121 . N . 121 . HN parsed_2l4i 1
72 . . . . . . . . . . . . . . . . 1.4075 . . . . . 122 . N . 122 . HN parsed_2l4i 1
73 . . . . . . . . . . . . . . . . 6.9835 . . . . . 123 . N . 123 . HN parsed_2l4i 1
74 . . . . . . . . . . . . . . . . 22.8188 . . . . . 124 . N . 124 . HN parsed_2l4i 1
75 . . . . . . . . . . . . . . . . -2.5652 . . . . . 126 . N . 126 . HN parsed_2l4i 1
76 . . . . . . . . . . . . . . . . -3.8724 . . . . . 127 . N . 127 . HN parsed_2l4i 1
77 . . . . . . . . . . . . . . . . -14.3506 . . . . . 129 . N . 129 . HN parsed_2l4i 1
78 . . . . . . . . . . . . . . . . 2.7682 . . . . . 134 . N . 134 . HN parsed_2l4i 1
79 . . . . . . . . . . . . . . . . -12.2555 . . . . . 135 . N . 135 . HN parsed_2l4i 1
80 . . . . . . . . . . . . . . . . -12.3454 . . . . . 136 . N . 136 . HN parsed_2l4i 1
81 . . . . . . . . . . . . . . . . 4.8512 . . . . . 137 . N . 137 . HN parsed_2l4i 1
82 . . . . . . . . . . . . . . . . -1.5990 . . . . . 139 . N . 139 . HN parsed_2l4i 1
83 . . . . . . . . . . . . . . . . 2.1183 . . . . . 142 . N . 142 . HN parsed_2l4i 1
84 . . . . . . . . . . . . . . . . 4.9856 . . . . . 143 . N . 143 . HN parsed_2l4i 1
85 . . . . . . . . . . . . . . . . 0.2396 . . . . . 150 . N . 150 . HN parsed_2l4i 1
86 . . . . . . . . . . . . . . . . 4.3885 . . . . . 151 . N . 151 . HN parsed_2l4i 1
87 . . . . . . . . . . . . . . . . 4.9856 . . . . . 152 . N . 152 . HN parsed_2l4i 1
88 . . . . . . . . . . . . . . . . -2.5050 . . . . . 153 . N . 153 . HN parsed_2l4i 1
89 . . . . . . . . . . . . . . . . 2.4369 . . . . . 154 . N . 154 . HN parsed_2l4i 1
90 . . . . . . . . . . . . . . . . 8.7710 . . . . . 155 . N . 155 . HN parsed_2l4i 1
91 . . . . . . . . . . . . . . . . 0.6202 . . . . . 156 . N . 156 . HN parsed_2l4i 1
92 . . . . . . . . . . . . . . . . -9.4623 . . . . . 172 . N . 172 . HN parsed_2l4i 1
93 . . . . . . . . . . . . . . . . 10.9118 . . . . . 180 . N . 180 . HN parsed_2l4i 1
94 . . . . . . . . . . . . . . . . 2.7032 . . . . . 190 . N . 190 . HN parsed_2l4i 1
95 . . . . . . . . . . . . . . . . 4.8537 . . . . . 191 . N . 191 . HN parsed_2l4i 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 RDC-NH 1 1 1 6 parsed_2l4i 1
stop_
save_
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