NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
636391 |
6i9b   |
27666 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 12 |
data_6i9b_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6i9b
_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_6i9b 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6i9b
_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 6i9b "Master copy" parsed_6i9b
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6i9b
_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 6i9b.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6i9b 1
1 6i9b.mr . . XPLOR/CNS 2 distance NOE ambi 17 parsed_6i9b 1
1 6i9b.mr . . XPLOR/CNS 3 distance NOE simple 2258 parsed_6i9b 1
1 6i9b.mr . . XPLOR/CNS 4 distance NOE ambi 48 parsed_6i9b 1
1 6i9b.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 12 parsed_6i9b 1
1 6i9b.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6i9b 1
1 6i9b.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6i9b 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6i9b
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_6i9b 1
2 1 . . . parsed_6i9b 1
3 1 . . . parsed_6i9b 1
4 1 . . . parsed_6i9b 1
5 1 . . . parsed_6i9b 1
6 1 . . . parsed_6i9b 1
7 1 . . . parsed_6i9b 1
8 1 . . . parsed_6i9b 1
9 1 . . . parsed_6i9b 1
10 1 . . . parsed_6i9b 1
11 1 . . . parsed_6i9b 1
12 1 . . . parsed_6i9b 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 120 . N parsed_6i9b 1
1 1 2 . . . . . . . . . 116 . O parsed_6i9b 1
2 1 1 . . . . . . . . . 120 . HN parsed_6i9b 1
2 1 2 . . . . . . . . . 116 . O parsed_6i9b 1
3 1 1 . . . . . . . . . 124 . N parsed_6i9b 1
3 1 2 . . . . . . . . . 120 . O parsed_6i9b 1
4 1 1 . . . . . . . . . 124 . HN parsed_6i9b 1
4 1 2 . . . . . . . . . 120 . O parsed_6i9b 1
5 1 1 . . . . . . . . . 152 . N parsed_6i9b 1
5 1 2 . . . . . . . . . 192 . O parsed_6i9b 1
6 1 1 . . . . . . . . . 152 . HN parsed_6i9b 1
6 1 2 . . . . . . . . . 192 . O parsed_6i9b 1
7 1 1 . . . . . . . . . 184 . N parsed_6i9b 1
7 1 2 . . . . . . . . . 193 . O parsed_6i9b 1
8 1 1 . . . . . . . . . 184 . HN parsed_6i9b 1
8 1 2 . . . . . . . . . 193 . O parsed_6i9b 1
9 1 1 . . . . . . . . . 192 . N parsed_6i9b 1
9 1 2 . . . . . . . . . 152 . O parsed_6i9b 1
10 1 1 . . . . . . . . . 192 . HN parsed_6i9b 1
10 1 2 . . . . . . . . . 152 . O parsed_6i9b 1
11 1 1 . . . . . . . . . 193 . N parsed_6i9b 1
11 1 2 . . . . . . . . . 184 . O parsed_6i9b 1
12 1 1 . . . . . . . . . 193 . HN parsed_6i9b 1
12 1 2 . . . . . . . . . 184 . O parsed_6i9b 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.0 2.5 3.5 parsed_6i9b 1
2 1 . . . . . 2.1 1.6 2.6 parsed_6i9b 1
3 1 . . . . . 3.0 2.5 3.5 parsed_6i9b 1
4 1 . . . . . 2.1 1.6 2.6 parsed_6i9b 1
5 1 . . . . . 3.0 2.5 3.5 parsed_6i9b 1
6 1 . . . . . 2.1 1.6 2.6 parsed_6i9b 1
7 1 . . . . . 3.0 2.5 3.5 parsed_6i9b 1
8 1 . . . . . 2.1 1.6 2.6 parsed_6i9b 1
9 1 . . . . . 3.0 2.5 3.5 parsed_6i9b 1
10 1 . . . . . 2.1 1.6 2.6 parsed_6i9b 1
11 1 . . . . . 3.0 2.5 3.5 parsed_6i9b 1
12 1 . . . . . 2.1 1.6 2.6 parsed_6i9b 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
ASN 111
SER 112
ALA 113
VAL 114
SER 115
THR 116
GLU 117
ASP 118
LEU 119
LYS 120
;
2 1 11 9 parsed_6i9b 1
2
;
GLU 121
CYS 122
LEU 123
LYS 124
;
14 1 17 9 parsed_6i9b 1
3
;
LYS 125
GLN 126
LEU 127
GLU 128
PHE 129
CYS 130
PHE 131
SER 132
ARG 133
GLU 134
ASN 135
LEU 136
SER 137
LYS 138
ASP 139
LEU 140
TYR 141
LEU 142
ILE 143
SER 144
GLN 145
MET 146
ASP 147
SER 148
ASP 149
GLN 150
PHE 151
ILE 152
;
20 1 47 9 parsed_6i9b 1
4
;
PRO 153
ILE 154
TRP 155
THR 156
VAL 157
ALA 158
ASN 159
MET 160
GLU 161
GLU 162
ILE 163
LYS 164
LYS 165
LEU 166
THR 167
THR 168
ASP 169
PRO 170
ASP 171
LEU 172
ILE 173
LEU 174
GLU 175
VAL 176
LEU 177
ARG 178
SER 179
SER 180
PRO 181
MET 182
VAL 183
GLN 184
;
50 1 81 9 parsed_6i9b 1
5
;
VAL 185
ASP 186
GLU 187
LYS 188
GLY 189
GLU 190
LYS 191
VAL 192
;
84 1 91 9 parsed_6i9b 1
6 "ARG 193" 94 1 94 9 parsed_6i9b 1
7
;
PRO 194
SER 195
HIS 196
;
97 1 99 9 parsed_6i9b 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 4: H_bonds.tbl" 1 1 1 32 parsed_6i9b 1
stop_
save_
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