NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
532938 |
2kli   |
cing | 2-parsed | STAR | dipolar coupling | 39 |
data_2kli_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kli
_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_2kli 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kli
_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 2kli "Master copy" parsed_2kli
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kli
_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 2kli.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 2 distance NOE simple 1118 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 237 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 39 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 0 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kli 1
1 2kli.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kli 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kli
_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 . . . . . . . . . . . . . . . . -24.6 -25.6 -23.6 . . . 47 . N . 47 . HN parsed_2kli 1
2 . . . . . . . . . . . . . . . . 6.5 5.5 7.5 . . . 52 . N . 52 . HN parsed_2kli 1
3 . . . . . . . . . . . . . . . . -20.6 -21.6 -19.6 . . . 57 . N . 57 . HN parsed_2kli 1
4 . . . . . . . . . . . . . . . . -9.8 -10.8 -8.8 . . . 60 . N . 60 . HN parsed_2kli 1
5 . . . . . . . . . . . . . . . . -18.7 -19.7 -17.7 . . . 61 . N . 61 . HN parsed_2kli 1
6 . . . . . . . . . . . . . . . . -11.6 -12.6 -10.6 . . . 62 . N . 62 . HN parsed_2kli 1
7 . . . . . . . . . . . . . . . . 4.4 3.4 5.4 . . . 63 . N . 63 . HN parsed_2kli 1
8 . . . . . . . . . . . . . . . . 12.2 11.2 13.2 . . . 64 . N . 64 . HN parsed_2kli 1
9 . . . . . . . . . . . . . . . . 22.1 21.1 23.1 . . . 65 . N . 65 . HN parsed_2kli 1
10 . . . . . . . . . . . . . . . . -6.7 -7.7 -5.7 . . . 67 . N . 67 . HN parsed_2kli 1
11 . . . . . . . . . . . . . . . . 16.1 15.1 17.1 . . . 68 . N . 68 . HN parsed_2kli 1
12 . . . . . . . . . . . . . . . . 23.1 22.1 24.1 . . . 76 . N . 76 . HN parsed_2kli 1
13 . . . . . . . . . . . . . . . . 12.0 11.0 13.0 . . . 85 . N . 85 . HN parsed_2kli 1
14 . . . . . . . . . . . . . . . . -5.8 -6.8 -4.8 . . . 86 . N . 86 . HN parsed_2kli 1
15 . . . . . . . . . . . . . . . . -9.5 -10.5 -8.5 . . . 87 . N . 87 . HN parsed_2kli 1
16 . . . . . . . . . . . . . . . . -7.7 -8.7 -6.7 . . . 97 . N . 97 . HN parsed_2kli 1
17 . . . . . . . . . . . . . . . . 10.8 9.8 11.8 . . . 98 . N . 98 . HN parsed_2kli 1
18 . . . . . . . . . . . . . . . . -2.8 -3.8 -1.8 . . . 99 . N . 99 . HN parsed_2kli 1
19 . . . . . . . . . . . . . . . . -0.4 -1.4 0.6 . . . 100 . N . 100 . HN parsed_2kli 1
20 . . . . . . . . . . . . . . . . 9.5 8.5 10.5 . . . 102 . N . 102 . HN parsed_2kli 1
21 . . . . . . . . . . . . . . . . 8.4 7.4 9.4 . . . 104 . N . 104 . HN parsed_2kli 1
22 . . . . . . . . . . . . . . . . 15.0 14.0 16.0 . . . 105 . N . 105 . HN parsed_2kli 1
23 . . . . . . . . . . . . . . . . 22.2 21.2 23.2 . . . 112 . N . 112 . HN parsed_2kli 1
24 . . . . . . . . . . . . . . . . 8.9 7.9 9.9 . . . 113 . N . 113 . HN parsed_2kli 1
25 . . . . . . . . . . . . . . . . 8.9 7.9 9.9 . . . 114 . N . 114 . HN parsed_2kli 1
26 . . . . . . . . . . . . . . . . -10.1 -11.1 -9.1 . . . 135 . N . 135 . HN parsed_2kli 1
27 . . . . . . . . . . . . . . . . -15.1 -16.1 -14.1 . . . 136 . N . 136 . HN parsed_2kli 1
28 . . . . . . . . . . . . . . . . 10.3 9.3 11.3 . . . 140 . N . 140 . HN parsed_2kli 1
29 . . . . . . . . . . . . . . . . 7.7 6.7 8.7 . . . 141 . N . 141 . HN parsed_2kli 1
30 . . . . . . . . . . . . . . . . 12.6 11.6 13.6 . . . 142 . N . 142 . HN parsed_2kli 1
31 . . . . . . . . . . . . . . . . 17.3 16.3 18.3 . . . 143 . N . 143 . HN parsed_2kli 1
32 . . . . . . . . . . . . . . . . 14.4 13.4 15.4 . . . 144 . N . 144 . HN parsed_2kli 1
33 . . . . . . . . . . . . . . . . 16.4 15.4 17.4 . . . 145 . N . 145 . HN parsed_2kli 1
34 . . . . . . . . . . . . . . . . 7.3 6.3 8.3 . . . 149 . N . 149 . HN parsed_2kli 1
35 . . . . . . . . . . . . . . . . 8.1 7.1 9.1 . . . 167 . N . 167 . HN parsed_2kli 1
36 . . . . . . . . . . . . . . . . 3.0 2.0 4.0 . . . 169 . N . 169 . HN parsed_2kli 1
37 . . . . . . . . . . . . . . . . -19.9 -20.9 -18.9 . . . 179 . N . 179 . HN parsed_2kli 1
38 . . . . . . . . . . . . . . . . -11.3 -12.3 -10.3 . . . 183 . N . 183 . HN parsed_2kli 1
39 . . . . . . . . . . . . . . . . 4.9 3.9 5.9 . . . 200 . N . 200 . HN parsed_2kli 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 "from pr" 29 1 29 10 parsed_2kli 1
2 "from pr" 37 1 37 10 parsed_2kli 1
3 "from pr" 45 1 45 10 parsed_2kli 1
4 "from pr" 53 1 53 10 parsed_2kli 1
5 "from pr" 61 1 61 10 parsed_2kli 1
6 "from pr" 90 1 90 10 parsed_2kli 1
7 "from pr" 98 1 98 10 parsed_2kli 1
8 "from pr" 106 1 106 10 parsed_2kli 1
9 "from pr" 114 1 114 10 parsed_2kli 1
10 "from pr" 122 1 122 10 parsed_2kli 1
11 "from pr" 130 1 130 10 parsed_2kli 1
12 "from pr" 138 1 138 10 parsed_2kli 1
13 "from pr" 146 1 146 10 parsed_2kli 1
14 "from pr" 154 1 154 10 parsed_2kli 1
15 "from pr" 162 1 162 10 parsed_2kli 1
16 "from pr" 170 1 170 10 parsed_2kli 1
17 "from pr" 178 1 178 10 parsed_2kli 1
18 "from pr" 186 1 186 10 parsed_2kli 1
19 "from pr" 194 1 194 10 parsed_2kli 1
20 "from pr" 202 1 202 10 parsed_2kli 1
21 "from pr" 210 1 210 10 parsed_2kli 1
22 "from pr" 218 1 218 10 parsed_2kli 1
23 "from pr" 226 1 226 10 parsed_2kli 1
24 "from pr" 234 1 234 10 parsed_2kli 1
25 "from pr" 242 1 242 10 parsed_2kli 1
26 "from pr" 250 1 250 10 parsed_2kli 1
27 "from pr" 279 1 279 10 parsed_2kli 1
28 "from pr" 294 1 294 10 parsed_2kli 1
stop_
save_
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