NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
31086 |
1dsq   |
cing | 2-parsed | STAR | entry | full | 143 |
data_1dsq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1dsq
_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_1dsq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1dsq
_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 1dsq "Master copy" parsed_1dsq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1dsq
_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 1dsq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1dsq 1
1 1dsq.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1dsq 1
1 1dsq.mr . . DYANA/DIANA 3 distance "general distance" simple 7 parsed_1dsq 1
1 1dsq.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1dsq 1
1 1dsq.mr . . DYANA/DIANA 5 distance "hydrogen bond" simple 18 parsed_1dsq 1
1 1dsq.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1dsq 1
1 1dsq.mr . . DYANA/DIANA 7 distance NOE simple 18 parsed_1dsq 1
1 1dsq.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1dsq 1
1 1dsq.mr . . DYANA/DIANA 9 distance NOE simple 75 parsed_1dsq 1
1 1dsq.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1dsq 1
1 1dsq.mr . . DYANA/DIANA 11 distance "general distance" simple 7 parsed_1dsq 1
1 1dsq.mr . . DYANA/DIANA 12 distance "hydrogen bond" simple 18 parsed_1dsq 1
1 1dsq.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1dsq 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1dsq
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER VIRUS/VIRAL PROTEIN 08-JAN-00 1DSQ
*TITLE STRUCTURE OF THE MMTV NUCLEOCAPSID PROTEIN (ZINC FINGER 1)
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: NUCLEIC ACID BINDING PROTEIN P14;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: ZINC FINGER 1 OF NUCLEOCAPSID PROTEIN;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: MOUSE MAMMARY TUMOR VIRUS;
*SOURCE 3 ORGANISM_COMMON: VIRUS;
*SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 5 EXPRESSION_SYSTEM_COMMON: BACTERIA;
*SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSE;
*SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET-3D
*KEYWDS CCHC TYPE ZINC FINGER
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR D.J.KLEIN, P.E.JOHNSON, E.S.ZOLLARS, R.N.DE GUZMAN,
*AUTHOR 2 M.F.SUMMERS
*REVDAT 1 28-JAN-00 1DSQ 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1dsq
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 2
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
#UPPER LIMITS
#----------------------------------------------------------------
# F1 RESTRAINTS - ZINC LIGAND RESTRAINTS
#----------------------------------------------------------------
;
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1dsq
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_1dsq 1
2 1 . . . parsed_1dsq 1
3 1 . . . parsed_1dsq 1
4 1 . . . parsed_1dsq 1
5 1 . . . parsed_1dsq 1
6 1 . . . parsed_1dsq 1
7 1 . . . parsed_1dsq 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 . . . . . . . . . 44 CYSZ ZN parsed_1dsq 1
1 1 2 . . . . . . . . . 31 CYS- CB parsed_1dsq 1
2 1 1 . . . . . . . . . 44 CYSZ ZN parsed_1dsq 1
2 1 2 . . . . . . . . . 34 CYS- CB parsed_1dsq 1
3 1 1 . . . . . . . . . 44 CYSZ ZN parsed_1dsq 1
3 1 2 . . . . . . . . . 31 CYS- SG parsed_1dsq 1
4 1 1 . . . . . . . . . 44 CYSZ ZN parsed_1dsq 1
4 1 2 . . . . . . . . . 34 CYS- SG parsed_1dsq 1
5 1 1 . . . . . . . . . 44 CYSZ ZN parsed_1dsq 1
5 1 2 . . . . . . . . . 39 HIS NE2 parsed_1dsq 1
6 1 1 . . . . . . . . . 44 CYSZ ZN parsed_1dsq 1
6 1 2 . . . . . . . . . 39 HIS ND1 parsed_1dsq 1
7 1 1 . . . . . . . . . 44 CYSZ ZN parsed_1dsq 1
7 1 2 . . . . . . . . . 39 HIS CG parsed_1dsq 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 . . . . . . . 3.41 parsed_1dsq 1
2 1 . . . . . . . 3.41 parsed_1dsq 1
3 1 . . . . . . . 2.35 parsed_1dsq 1
4 1 . . . . . . . 2.35 parsed_1dsq 1
5 1 . . . . . . . 2.05 parsed_1dsq 1
6 1 . . . . . . . 4.18 parsed_1dsq 1
7 1 . . . . . . . 4.18 parsed_1dsq 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 "44 CYSZ ZN 44 CYSZ CB 3.41" 3 1 3 38 parsed_1dsq 1
2 "44 CYSZ ZN 44 CYSZ SG 2.35" 6 1 6 38 parsed_1dsq 1
stop_
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1dsq
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 4
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
#-----------------------------------------------------------------
# HYDROGEN BOND RESTRAINTS
#-----------------------------------------------------------------
;
save_
save_DYANA/DIANA_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1dsq
_Distance_constraint_list.ID 2
_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_1dsq 2
2 1 . . . parsed_1dsq 2
3 1 . . . parsed_1dsq 2
4 1 . . . parsed_1dsq 2
5 1 . . . parsed_1dsq 2
6 1 . . . parsed_1dsq 2
7 1 . . . parsed_1dsq 2
8 1 . . . parsed_1dsq 2
9 1 . . . parsed_1dsq 2
10 1 . . . parsed_1dsq 2
11 1 . . . parsed_1dsq 2
12 1 . . . parsed_1dsq 2
13 1 . . . parsed_1dsq 2
14 1 . . . parsed_1dsq 2
15 1 . . . parsed_1dsq 2
16 1 . . . parsed_1dsq 2
17 1 . . . parsed_1dsq 2
18 1 . . . parsed_1dsq 2
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 . . . . . . . . . 31 CYS- N parsed_1dsq 2
1 1 2 . . . . . . . . . 36 LYS+ O parsed_1dsq 2
2 1 1 . . . . . . . . . 31 CYS- HN parsed_1dsq 2
2 1 2 . . . . . . . . . 36 LYS+ O parsed_1dsq 2
3 1 1 . . . . . . . . . 33 SER N parsed_1dsq 2
3 1 2 . . . . . . . . . 31 CYS- SG parsed_1dsq 2
4 1 1 . . . . . . . . . 33 SER HN parsed_1dsq 2
4 1 2 . . . . . . . . . 31 CYS- SG parsed_1dsq 2
5 1 1 . . . . . . . . . 34 CYS- N parsed_1dsq 2
5 1 2 . . . . . . . . . 31 CYS- SG parsed_1dsq 2
6 1 1 . . . . . . . . . 34 CYS- HN parsed_1dsq 2
6 1 2 . . . . . . . . . 31 CYS- SG parsed_1dsq 2
7 1 1 . . . . . . . . . 35 GLY N parsed_1dsq 2
7 1 2 . . . . . . . . . 31 CYS- O parsed_1dsq 2
8 1 1 . . . . . . . . . 35 GLY HN parsed_1dsq 2
8 1 2 . . . . . . . . . 31 CYS- O parsed_1dsq 2
9 1 1 . . . . . . . . . 36 LYS+ N parsed_1dsq 2
9 1 2 . . . . . . . . . 34 CYS- SG parsed_1dsq 2
10 1 1 . . . . . . . . . 36 LYS+ HN parsed_1dsq 2
10 1 2 . . . . . . . . . 34 CYS- SG parsed_1dsq 2
11 1 1 . . . . . . . . . 38 GLY N parsed_1dsq 2
11 1 2 . . . . . . . . . 29 PRO O parsed_1dsq 2
12 1 1 . . . . . . . . . 38 GLY HN parsed_1dsq 2
12 1 2 . . . . . . . . . 29 PRO O parsed_1dsq 2
13 1 1 . . . . . . . . . 40 ILE N parsed_1dsq 2
13 1 2 . . . . . . . . . 43 ASP- OD1 parsed_1dsq 2
14 1 1 . . . . . . . . . 40 ILE HN parsed_1dsq 2
14 1 2 . . . . . . . . . 43 ASP- OD1 parsed_1dsq 2
15 1 1 . . . . . . . . . 43 ASP- N parsed_1dsq 2
15 1 2 . . . . . . . . . 40 ILE O parsed_1dsq 2
16 1 1 . . . . . . . . . 43 ASP- HN parsed_1dsq 2
16 1 2 . . . . . . . . . 40 ILE O parsed_1dsq 2
17 1 1 . . . . . . . . . 44 CYSZ N parsed_1dsq 2
17 1 2 . . . . . . . . . 41 LYS+ O parsed_1dsq 2
18 1 1 . . . . . . . . . 44 CYSZ HN parsed_1dsq 2
18 1 2 . . . . . . . . . 41 LYS+ O parsed_1dsq 2
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 . . . . . . . 3.00 parsed_1dsq 2
2 1 . . . . . . . 2.00 parsed_1dsq 2
3 1 . . . . . . . 3.55 parsed_1dsq 2
4 1 . . . . . . . 2.55 parsed_1dsq 2
5 1 . . . . . . . 3.55 parsed_1dsq 2
6 1 . . . . . . . 2.55 parsed_1dsq 2
7 1 . . . . . . . 3.00 parsed_1dsq 2
8 1 . . . . . . . 2.00 parsed_1dsq 2
9 1 . . . . . . . 3.55 parsed_1dsq 2
10 1 . . . . . . . 2.55 parsed_1dsq 2
11 1 . . . . . . . 3.00 parsed_1dsq 2
12 1 . . . . . . . 2.00 parsed_1dsq 2
13 1 . . . . . . . 3.00 parsed_1dsq 2
14 1 . . . . . . . 2.00 parsed_1dsq 2
15 1 . . . . . . . 3.00 parsed_1dsq 2
16 1 . . . . . . . 2.00 parsed_1dsq 2
17 1 . . . . . . . 3.00 parsed_1dsq 2
18 1 . . . . . . . 2.00 parsed_1dsq 2
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 "46 GLU- N 44 CYSZ SG 3.55 OBSERVED IN P7, UNLIKELY IN MMTV" 19 1 19 70 parsed_1dsq 2
2 "46 GLU- HN 44 CYSZ SG 2.55 BECAUSE OF SEQUENTIAL NOE'S" 20 1 20 65 parsed_1dsq 2
stop_
save_
save_MR_file_comment_6
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1dsq
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 6
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
#-----------------------------------------------------------------
# SEQUENTIAL CONNECTIVITIES (HA-HN, HN-HN) FINGER 1
#-----------------------------------------------------------------
;
save_
save_DYANA/DIANA_distance_constraints_7
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1dsq
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 7
_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_1dsq 3
2 1 . . . parsed_1dsq 3
3 1 . . . parsed_1dsq 3
4 1 . . . parsed_1dsq 3
5 1 . . . parsed_1dsq 3
6 1 . . . parsed_1dsq 3
7 1 . . . parsed_1dsq 3
8 1 . . . parsed_1dsq 3
9 1 . . . parsed_1dsq 3
10 1 . . . parsed_1dsq 3
11 1 . . . parsed_1dsq 3
12 1 . . . parsed_1dsq 3
13 1 . . . parsed_1dsq 3
14 1 . . . parsed_1dsq 3
15 1 . . . parsed_1dsq 3
16 1 . . . parsed_1dsq 3
17 1 . . . parsed_1dsq 3
18 1 . . . parsed_1dsq 3
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 . . . . . . . . . 30 VAL HN parsed_1dsq 3
1 1 2 . . . . . . . . . 29 PRO HA parsed_1dsq 3
2 1 1 . . . . . . . . . 31 CYS- HN parsed_1dsq 3
2 1 2 . . . . . . . . . 30 VAL HA parsed_1dsq 3
3 1 1 . . . . . . . . . 32 PHE HN parsed_1dsq 3
3 1 2 . . . . . . . . . 31 CYS- HA parsed_1dsq 3
4 1 1 . . . . . . . . . 32 PHE HN parsed_1dsq 3
4 1 2 . . . . . . . . . 33 SER HN parsed_1dsq 3
5 1 1 . . . . . . . . . 33 SER HN parsed_1dsq 3
5 1 2 . . . . . . . . . 34 CYS- HN parsed_1dsq 3
6 1 1 . . . . . . . . . 34 CYS- HN parsed_1dsq 3
6 1 2 . . . . . . . . . 35 GLY HN parsed_1dsq 3
7 1 1 . . . . . . . . . 35 GLY HN parsed_1dsq 3
7 1 2 . . . . . . . . . 36 LYS+ HN parsed_1dsq 3
8 1 1 . . . . . . . . . 37 THR HN parsed_1dsq 3
8 1 2 . . . . . . . . . 36 LYS+ HA parsed_1dsq 3
9 1 1 . . . . . . . . . 38 GLY HN parsed_1dsq 3
9 1 2 . . . . . . . . . 37 THR HA parsed_1dsq 3
10 1 1 . . . . . . . . . 38 GLY HN parsed_1dsq 3
10 1 2 . . . . . . . . . 39 HIS HN parsed_1dsq 3
11 1 1 . . . . . . . . . 40 ILE HN parsed_1dsq 3
11 1 2 . . . . . . . . . 39 HIS HA parsed_1dsq 3
12 1 1 . . . . . . . . . 41 LYS+ HN parsed_1dsq 3
12 1 2 . . . . . . . . . 40 ILE HA parsed_1dsq 3
13 1 1 . . . . . . . . . 41 LYS+ HN parsed_1dsq 3
13 1 2 . . . . . . . . . 42 ARG+ HN parsed_1dsq 3
14 1 1 . . . . . . . . . 42 ARG+ HN parsed_1dsq 3
14 1 2 . . . . . . . . . 43 ASP- HN parsed_1dsq 3
15 1 1 . . . . . . . . . 43 ASP- HN parsed_1dsq 3
15 1 2 . . . . . . . . . 44 CYSZ HN parsed_1dsq 3
16 1 1 . . . . . . . . . 45 LYS+ HN parsed_1dsq 3
16 1 2 . . . . . . . . . 44 CYSZ HA parsed_1dsq 3
17 1 1 . . . . . . . . . 46 GLU- HN parsed_1dsq 3
17 1 2 . . . . . . . . . 45 LYS+ HA parsed_1dsq 3
18 1 1 . . . . . . . . . 46 GLU- HN parsed_1dsq 3
18 1 2 . . . . . . . . . 47 GLU- HN parsed_1dsq 3
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 . . . . . . . 2.70 parsed_1dsq 3
2 1 . . . . . . . 2.70 parsed_1dsq 3
3 1 . . . . . . . 2.70 parsed_1dsq 3
4 1 . . . . . . . 2.70 parsed_1dsq 3
5 1 . . . . . . . 2.70 parsed_1dsq 3
6 1 . . . . . . . 2.70 parsed_1dsq 3
7 1 . . . . . . . 2.70 parsed_1dsq 3
8 1 . . . . . . . 2.70 parsed_1dsq 3
9 1 . . . . . . . 2.70 parsed_1dsq 3
10 1 . . . . . . . 2.70 parsed_1dsq 3
11 1 . . . . . . . 2.70 parsed_1dsq 3
12 1 . . . . . . . 2.70 parsed_1dsq 3
13 1 . . . . . . . 5.00 parsed_1dsq 3
14 1 . . . . . . . 2.70 parsed_1dsq 3
15 1 . . . . . . . 2.70 parsed_1dsq 3
16 1 . . . . . . . 2.70 parsed_1dsq 3
17 1 . . . . . . . 2.70 parsed_1dsq 3
18 1 . . . . . . . 2.70 parsed_1dsq 3
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 "ASSUMED (CANNOT SEE BECAUSE OF WATER)" 11 39 11 76 parsed_1dsq 3
2 "ASSUMED (CANNOT SEE BECAUSE OF WATER)" 12 39 12 76 parsed_1dsq 3
3 "SHOULD BE STRONG, AS IN P7)" 13 39 13 66 parsed_1dsq 3
stop_
save_
save_MR_file_comment_8
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1dsq
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 8
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
#------------------------------------------------------------------
# OTHER NOE'S OBSERVED FOR F1
#------------------------------------------------------------------
;
save_
save_DYANA/DIANA_distance_constraints_9
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1dsq
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 9
_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_1dsq 4
2 1 . . . parsed_1dsq 4
3 1 . . . parsed_1dsq 4
4 1 . . . parsed_1dsq 4
5 1 . . . parsed_1dsq 4
6 1 . . . parsed_1dsq 4
7 1 . . . parsed_1dsq 4
8 1 . . . parsed_1dsq 4
9 1 . . . parsed_1dsq 4
10 1 . . . parsed_1dsq 4
11 1 . . . parsed_1dsq 4
12 1 . . . parsed_1dsq 4
13 1 . . . parsed_1dsq 4
14 1 . . . parsed_1dsq 4
15 1 . . . parsed_1dsq 4
16 1 . . . parsed_1dsq 4
17 1 . . . parsed_1dsq 4
18 1 . . . parsed_1dsq 4
19 1 . . . parsed_1dsq 4
20 1 . . . parsed_1dsq 4
21 1 . . . parsed_1dsq 4
22 1 . . . parsed_1dsq 4
23 1 . . . parsed_1dsq 4
24 1 . . . parsed_1dsq 4
25 1 . . . parsed_1dsq 4
26 1 . . . parsed_1dsq 4
27 1 . . . parsed_1dsq 4
28 1 . . . parsed_1dsq 4
29 1 . . . parsed_1dsq 4
30 1 . . . parsed_1dsq 4
31 1 . . . parsed_1dsq 4
32 1 . . . parsed_1dsq 4
33 1 . . . parsed_1dsq 4
34 1 . . . parsed_1dsq 4
35 1 . . . parsed_1dsq 4
36 1 . . . parsed_1dsq 4
37 1 . . . parsed_1dsq 4
38 1 . . . parsed_1dsq 4
39 1 . . . parsed_1dsq 4
40 1 . . . parsed_1dsq 4
41 1 . . . parsed_1dsq 4
42 1 . . . parsed_1dsq 4
43 1 . . . parsed_1dsq 4
44 1 . . . parsed_1dsq 4
45 1 . . . parsed_1dsq 4
46 1 . . . parsed_1dsq 4
47 1 . . . parsed_1dsq 4
48 1 . . . parsed_1dsq 4
49 1 . . . parsed_1dsq 4
50 1 . . . parsed_1dsq 4
51 1 . . . parsed_1dsq 4
52 1 . . . parsed_1dsq 4
53 1 . . . parsed_1dsq 4
54 1 . . . parsed_1dsq 4
55 1 . . . parsed_1dsq 4
56 1 . . . parsed_1dsq 4
57 1 . . . parsed_1dsq 4
58 1 . . . parsed_1dsq 4
59 1 . . . parsed_1dsq 4
60 1 . . . parsed_1dsq 4
61 1 . . . parsed_1dsq 4
62 1 . . . parsed_1dsq 4
63 1 . . . parsed_1dsq 4
64 1 . . . parsed_1dsq 4
65 1 . . . parsed_1dsq 4
66 1 . . . parsed_1dsq 4
67 1 . . . parsed_1dsq 4
68 1 . . . parsed_1dsq 4
69 1 . . . parsed_1dsq 4
70 1 . . . parsed_1dsq 4
71 1 . . . parsed_1dsq 4
72 1 . . . parsed_1dsq 4
73 1 . . . parsed_1dsq 4
74 1 . . . parsed_1dsq 4
75 1 . . . parsed_1dsq 4
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 . . . . . . . . . 29 PRO HD3 parsed_1dsq 4
1 1 2 . . . . . . . . . 38 GLY HN parsed_1dsq 4
2 1 1 . . . . . . . . . 29 PRO HD3 parsed_1dsq 4
2 1 2 . . . . . . . . . 39 HIS HN parsed_1dsq 4
3 1 1 . . . . . . . . . 30 VAL HN parsed_1dsq 4
3 1 2 . . . . . . . . . 29 PRO QB parsed_1dsq 4
4 1 1 . . . . . . . . . 30 VAL HA parsed_1dsq 4
4 1 2 . . . . . . . . . 30 VAL QG1 parsed_1dsq 4
5 1 1 . . . . . . . . . 30 VAL HA parsed_1dsq 4
5 1 2 . . . . . . . . . 30 VAL QG2 parsed_1dsq 4
6 1 1 . . . . . . . . . 30 VAL HN parsed_1dsq 4
6 1 2 . . . . . . . . . 30 VAL QG1 parsed_1dsq 4
7 1 1 . . . . . . . . . 30 VAL HN parsed_1dsq 4
7 1 2 . . . . . . . . . 30 VAL HB parsed_1dsq 4
8 1 1 . . . . . . . . . 30 VAL QG2 parsed_1dsq 4
8 1 2 . . . . . . . . . 31 CYS- HN parsed_1dsq 4
9 1 1 . . . . . . . . . 30 VAL QG2 parsed_1dsq 4
9 1 2 . . . . . . . . . 35 GLY HN parsed_1dsq 4
10 1 1 . . . . . . . . . 30 VAL QG2 parsed_1dsq 4
10 1 2 . . . . . . . . . 35 GLY HA1 parsed_1dsq 4
11 1 1 . . . . . . . . . 30 VAL QG2 parsed_1dsq 4
11 1 2 . . . . . . . . . 36 LYS+ HN parsed_1dsq 4
12 1 1 . . . . . . . . . 30 VAL QG2 parsed_1dsq 4
12 1 2 . . . . . . . . . 37 THR QG2 parsed_1dsq 4
13 1 1 . . . . . . . . . 30 VAL QG2 parsed_1dsq 4
13 1 2 . . . . . . . . . 37 THR HA parsed_1dsq 4
14 1 1 . . . . . . . . . 30 VAL HA parsed_1dsq 4
14 1 2 . . . . . . . . . 37 THR HA parsed_1dsq 4
15 1 1 . . . . . . . . . 30 VAL HA parsed_1dsq 4
15 1 2 . . . . . . . . . 38 GLY HN parsed_1dsq 4
16 1 1 . . . . . . . . . 30 VAL HN parsed_1dsq 4
16 1 2 . . . . . . . . . 40 ILE QG2 parsed_1dsq 4
17 1 1 . . . . . . . . . 31 CYS- HN parsed_1dsq 4
17 1 2 . . . . . . . . . 31 CYS- HB2 parsed_1dsq 4
18 1 1 . . . . . . . . . 31 CYS- HN parsed_1dsq 4
18 1 2 . . . . . . . . . 31 CYS- HB3 parsed_1dsq 4
19 1 1 . . . . . . . . . 31 CYS- HA parsed_1dsq 4
19 1 2 . . . . . . . . . 31 CYS- HB2 parsed_1dsq 4
20 1 1 . . . . . . . . . 31 CYS- HA parsed_1dsq 4
20 1 2 . . . . . . . . . 33 SER HN parsed_1dsq 4
21 1 1 . . . . . . . . . 31 CYS- HB3 parsed_1dsq 4
21 1 2 . . . . . . . . . 34 CYS- HN parsed_1dsq 4
22 1 1 . . . . . . . . . 31 CYS- HB3 parsed_1dsq 4
22 1 2 . . . . . . . . . 35 GLY HN parsed_1dsq 4
23 1 1 . . . . . . . . . 31 CYS- HN parsed_1dsq 4
23 1 2 . . . . . . . . . 35 GLY HA1 parsed_1dsq 4
24 1 1 . . . . . . . . . 31 CYS- HB3 parsed_1dsq 4
24 1 2 . . . . . . . . . 36 LYS+ HN parsed_1dsq 4
25 1 1 . . . . . . . . . 31 CYS- HN parsed_1dsq 4
25 1 2 . . . . . . . . . 37 THR HA parsed_1dsq 4
26 1 1 . . . . . . . . . 31 CYS- HN parsed_1dsq 4
26 1 2 . . . . . . . . . 37 THR QG2 parsed_1dsq 4
27 1 1 . . . . . . . . . 31 CYS- HN parsed_1dsq 4
27 1 2 . . . . . . . . . 38 GLY HN parsed_1dsq 4
28 1 1 . . . . . . . . . 31 CYS- HN parsed_1dsq 4
28 1 2 . . . . . . . . . 39 HIS HN parsed_1dsq 4
29 1 1 . . . . . . . . . 31 CYS- HB2 parsed_1dsq 4
29 1 2 . . . . . . . . . 39 HIS HD2 parsed_1dsq 4
30 1 1 . . . . . . . . . 31 CYS- HA parsed_1dsq 4
30 1 2 . . . . . . . . . 41 LYS+ HN parsed_1dsq 4
31 1 1 . . . . . . . . . 32 PHE HN parsed_1dsq 4
31 1 2 . . . . . . . . . 41 LYS+ QB parsed_1dsq 4
32 1 1 . . . . . . . . . 32 PHE HN parsed_1dsq 4
32 1 2 . . . . . . . . . 41 LYS+ HN parsed_1dsq 4
33 1 1 . . . . . . . . . 33 SER HN parsed_1dsq 4
33 1 2 . . . . . . . . . 35 GLY HN parsed_1dsq 4
34 1 1 . . . . . . . . . 33 SER HN parsed_1dsq 4
34 1 2 . . . . . . . . . 41 LYS+ QB parsed_1dsq 4
35 1 1 . . . . . . . . . 34 CYS- HN parsed_1dsq 4
35 1 2 . . . . . . . . . 34 CYS- HB3 parsed_1dsq 4
36 1 1 . . . . . . . . . 34 CYS- HA parsed_1dsq 4
36 1 2 . . . . . . . . . 34 CYS- HB2 parsed_1dsq 4
37 1 1 . . . . . . . . . 34 CYS- HA parsed_1dsq 4
37 1 2 . . . . . . . . . 34 CYS- HB3 parsed_1dsq 4
38 1 1 . . . . . . . . . 34 CYS- HA parsed_1dsq 4
38 1 2 . . . . . . . . . 36 LYS+ HN parsed_1dsq 4
39 1 1 . . . . . . . . . 34 CYS- HN parsed_1dsq 4
39 1 2 . . . . . . . . . 36 LYS+ HN parsed_1dsq 4
40 1 1 . . . . . . . . . 34 CYS- HB2 parsed_1dsq 4
40 1 2 . . . . . . . . . 35 GLY HN parsed_1dsq 4
41 1 1 . . . . . . . . . 34 CYS- HB3 parsed_1dsq 4
41 1 2 . . . . . . . . . 35 GLY HN parsed_1dsq 4
42 1 1 . . . . . . . . . 34 CYS- HA parsed_1dsq 4
42 1 2 . . . . . . . . . 36 LYS+ HN parsed_1dsq 4
43 1 1 . . . . . . . . . 34 CYS- HB2 parsed_1dsq 4
43 1 2 . . . . . . . . . 36 LYS+ HN parsed_1dsq 4
44 1 1 . . . . . . . . . 34 CYS- HB3 parsed_1dsq 4
44 1 2 . . . . . . . . . 36 LYS+ HN parsed_1dsq 4
45 1 1 . . . . . . . . . 35 GLY HN parsed_1dsq 4
45 1 2 . . . . . . . . . 35 GLY HA1 parsed_1dsq 4
46 1 1 . . . . . . . . . 36 LYS+ HA parsed_1dsq 4
46 1 2 . . . . . . . . . 37 THR QG2 parsed_1dsq 4
47 1 1 . . . . . . . . . 36 LYS+ HB3 parsed_1dsq 4
47 1 2 . . . . . . . . . 39 HIS HE1 parsed_1dsq 4
48 1 1 . . . . . . . . . 37 THR HN parsed_1dsq 4
48 1 2 . . . . . . . . . 37 THR QG2 parsed_1dsq 4
49 1 1 . . . . . . . . . 37 THR HN parsed_1dsq 4
49 1 2 . . . . . . . . . 37 THR HB parsed_1dsq 4
50 1 1 . . . . . . . . . 37 THR HA parsed_1dsq 4
50 1 2 . . . . . . . . . 39 HIS HN parsed_1dsq 4
51 1 1 . . . . . . . . . 38 GLY HN parsed_1dsq 4
51 1 2 . . . . . . . . . 38 GLY HA1 parsed_1dsq 4
52 1 1 . . . . . . . . . 39 HIS HN parsed_1dsq 4
52 1 2 . . . . . . . . . 39 HIS QB parsed_1dsq 4
53 1 1 . . . . . . . . . 39 HIS HD2 parsed_1dsq 4
53 1 2 . . . . . . . . . 39 HIS QB parsed_1dsq 4
54 1 1 . . . . . . . . . 39 HIS QB parsed_1dsq 4
54 1 2 . . . . . . . . . 40 ILE HN parsed_1dsq 4
55 1 1 . . . . . . . . . 39 HIS HD2 parsed_1dsq 4
55 1 2 . . . . . . . . . 43 ASP- HN parsed_1dsq 4
56 1 1 . . . . . . . . . 39 HIS QB parsed_1dsq 4
56 1 2 . . . . . . . . . 43 ASP- HN parsed_1dsq 4
57 1 1 . . . . . . . . . 39 HIS HD2 parsed_1dsq 4
57 1 2 . . . . . . . . . 44 CYSZ HA parsed_1dsq 4
58 1 1 . . . . . . . . . 39 HIS HD2 parsed_1dsq 4
58 1 2 . . . . . . . . . 44 CYSZ HB2 parsed_1dsq 4
59 1 1 . . . . . . . . . 39 HIS HD2 parsed_1dsq 4
59 1 2 . . . . . . . . . 44 CYSZ HN parsed_1dsq 4
60 1 1 . . . . . . . . . 40 ILE HN parsed_1dsq 4
60 1 2 . . . . . . . . . 40 ILE QD1 parsed_1dsq 4
61 1 1 . . . . . . . . . 40 ILE QG2 parsed_1dsq 4
61 1 2 . . . . . . . . . 41 LYS+ HN parsed_1dsq 4
62 1 1 . . . . . . . . . 40 ILE QG2 parsed_1dsq 4
62 1 2 . . . . . . . . . 42 ARG+ HN parsed_1dsq 4
63 1 1 . . . . . . . . . 40 ILE HN parsed_1dsq 4
63 1 2 . . . . . . . . . 43 ASP- HB3 parsed_1dsq 4
64 1 1 . . . . . . . . . 40 ILE QG2 parsed_1dsq 4
64 1 2 . . . . . . . . . 43 ASP- HN parsed_1dsq 4
65 1 1 . . . . . . . . . 40 ILE HB parsed_1dsq 4
65 1 2 . . . . . . . . . 43 ASP- HN parsed_1dsq 4
66 1 1 . . . . . . . . . 42 ARG+ HA parsed_1dsq 4
66 1 2 . . . . . . . . . 44 CYSZ HN parsed_1dsq 4
67 1 1 . . . . . . . . . 43 ASP- HN parsed_1dsq 4
67 1 2 . . . . . . . . . 43 ASP- HB2 parsed_1dsq 4
68 1 1 . . . . . . . . . 43 ASP- HB3 parsed_1dsq 4
68 1 2 . . . . . . . . . 44 CYSZ HN parsed_1dsq 4
69 1 1 . . . . . . . . . 44 CYSZ HN parsed_1dsq 4
69 1 2 . . . . . . . . . 44 CYSZ HB2 parsed_1dsq 4
70 1 1 . . . . . . . . . 44 CYSZ HN parsed_1dsq 4
70 1 2 . . . . . . . . . 44 CYSZ HB3 parsed_1dsq 4
71 1 1 . . . . . . . . . 44 CYSZ HA parsed_1dsq 4
71 1 2 . . . . . . . . . 44 CYSZ HB2 parsed_1dsq 4
72 1 1 . . . . . . . . . 44 CYSZ HB2 parsed_1dsq 4
72 1 2 . . . . . . . . . 45 LYS+ HN parsed_1dsq 4
73 1 1 . . . . . . . . . 44 CYSZ HA parsed_1dsq 4
73 1 2 . . . . . . . . . 46 GLU- HN parsed_1dsq 4
74 1 1 . . . . . . . . . 45 LYS+ HN parsed_1dsq 4
74 1 2 . . . . . . . . . 45 LYS+ QB parsed_1dsq 4
75 1 1 . . . . . . . . . 46 GLU- HG2 parsed_1dsq 4
75 1 2 . . . . . . . . . 47 GLU- HN parsed_1dsq 4
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 . . . . . . . 5.00 parsed_1dsq 4
2 1 . . . . . . . 5.00 parsed_1dsq 4
3 1 . . . . . . . 3.90 parsed_1dsq 4
4 1 . . . . . . . 3.80 parsed_1dsq 4
5 1 . . . . . . . 3.80 parsed_1dsq 4
6 1 . . . . . . . 3.80 parsed_1dsq 4
7 1 . . . . . . . 2.70 parsed_1dsq 4
8 1 . . . . . . . 3.80 parsed_1dsq 4
9 1 . . . . . . . 5.50 parsed_1dsq 4
10 1 . . . . . . . 5.50 parsed_1dsq 4
11 1 . . . . . . . 5.50 parsed_1dsq 4
12 1 . . . . . . . 5.50 parsed_1dsq 4
13 1 . . . . . . . 5.50 parsed_1dsq 4
14 1 . . . . . . . 2.70 parsed_1dsq 4
15 1 . . . . . . . 5.00 parsed_1dsq 4
16 1 . . . . . . . 5.50 parsed_1dsq 4
17 1 . . . . . . . 2.70 parsed_1dsq 4
18 1 . . . . . . . 2.70 parsed_1dsq 4
19 1 . . . . . . . 3.30 parsed_1dsq 4
20 1 . . . . . . . 5.00 parsed_1dsq 4
21 1 . . . . . . . 3.30 parsed_1dsq 4
22 1 . . . . . . . 3.30 parsed_1dsq 4
23 1 . . . . . . . 5.00 parsed_1dsq 4
24 1 . . . . . . . 3.30 parsed_1dsq 4
25 1 . . . . . . . 3.30 parsed_1dsq 4
26 1 . . . . . . . 5.50 parsed_1dsq 4
27 1 . . . . . . . 5.00 parsed_1dsq 4
28 1 . . . . . . . 5.00 parsed_1dsq 4
29 1 . . . . . . . 5.00 parsed_1dsq 4
30 1 . . . . . . . 3.30 parsed_1dsq 4
31 1 . . . . . . . 3.30 parsed_1dsq 4
32 1 . . . . . . . 5.00 parsed_1dsq 4
33 1 . . . . . . . 3.30 parsed_1dsq 4
34 1 . . . . . . . 3.90 parsed_1dsq 4
35 1 . . . . . . . 3.30 parsed_1dsq 4
36 1 . . . . . . . 3.30 parsed_1dsq 4
37 1 . . . . . . . 3.30 parsed_1dsq 4
38 1 . . . . . . . 5.00 parsed_1dsq 4
39 1 . . . . . . . 5.00 parsed_1dsq 4
40 1 . . . . . . . 5.00 parsed_1dsq 4
41 1 . . . . . . . 5.00 parsed_1dsq 4
42 1 . . . . . . . 5.00 parsed_1dsq 4
43 1 . . . . . . . 5.00 parsed_1dsq 4
44 1 . . . . . . . 5.00 parsed_1dsq 4
45 1 . . . . . . . 2.70 parsed_1dsq 4
46 1 . . . . . . . 3.80 parsed_1dsq 4
47 1 . . . . . . . 3.30 parsed_1dsq 4
48 1 . . . . . . . 3.80 parsed_1dsq 4
49 1 . . . . . . . 5.00 parsed_1dsq 4
50 1 . . . . . . . 5.00 parsed_1dsq 4
51 1 . . . . . . . 3.30 parsed_1dsq 4
52 1 . . . . . . . 3.90 parsed_1dsq 4
53 1 . . . . . . . 3.90 parsed_1dsq 4
54 1 . . . . . . . 3.30 parsed_1dsq 4
55 1 . . . . . . . 5.00 parsed_1dsq 4
56 1 . . . . . . . 5.60 parsed_1dsq 4
57 1 . . . . . . . 3.30 parsed_1dsq 4
58 1 . . . . . . . 3.30 parsed_1dsq 4
59 1 . . . . . . . 3.30 parsed_1dsq 4
60 1 . . . . . . . 3.20 parsed_1dsq 4
61 1 . . . . . . . 3.80 parsed_1dsq 4
62 1 . . . . . . . 3.80 parsed_1dsq 4
63 1 . . . . . . . 3.30 parsed_1dsq 4
64 1 . . . . . . . 3.80 parsed_1dsq 4
65 1 . . . . . . . 5.00 parsed_1dsq 4
66 1 . . . . . . . 5.00 parsed_1dsq 4
67 1 . . . . . . . 2.70 parsed_1dsq 4
68 1 . . . . . . . 5.00 parsed_1dsq 4
69 1 . . . . . . . 2.70 parsed_1dsq 4
70 1 . . . . . . . 2.70 parsed_1dsq 4
71 1 . . . . . . . 2.70 parsed_1dsq 4
72 1 . . . . . . . 5.00 parsed_1dsq 4
73 1 . . . . . . . 5.00 parsed_1dsq 4
74 1 . . . . . . . 3.90 parsed_1dsq 4
75 1 . . . . . . . 3.30 parsed_1dsq 4
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 "PRO 29" 1 1 1 8 parsed_1dsq 4
2 "VAL 30" 5 1 5 8 parsed_1dsq 4
3 "ASSUMED (APPEARS TO OVERLAP W/ HOA PEAK)" 17 39 17 79 parsed_1dsq 4
4 "POSSIBLY AN UNRELIABLE PEAK" 19 39 19 66 parsed_1dsq 4
5 "CYS- 31" 21 1 21 9 parsed_1dsq 4
6 "was 3.30 in p7" 34 39 34 53 parsed_1dsq 4
7 "was 5.00 in p7" 35 39 35 53 parsed_1dsq 4
8 "PHE 32" 37 1 37 8 parsed_1dsq 4
9 "32 PHE HN 32 PHE HB2 2.70 NON-FUNCTIONAL" 38 1 38 67 parsed_1dsq 4
10 "32 PHE HB3 33 SER HN 3.30 NON-FUNCTIONAL" 41 1 41 52 parsed_1dsq 4
11 "32 PHE HB2 33 SER HN 3.30 NON-FUNCTIONAL" 42 1 42 52 parsed_1dsq 4
12 "SER 33" 44 1 44 8 parsed_1dsq 4
13 "33 SER HN 33 SER HB2 2.70 #COULD BE HB3, NON-FUNCTIONAL" 45 1 45 67 parsed_1dsq 4
14 "33 SER HB3 34 CYS- HN 2.70 #COULD BE HB2, NON-FUNCTIONAL" 46 1 46 67 parsed_1dsq 4
15 "CYS- 34" 50 1 50 9 parsed_1dsq 4
16 "GLY 35" 63 1 63 8 parsed_1dsq 4
17 "35 GLY HN 35 GLY HA2 2.70 SPIN DIFFUSION" 65 1 65 52 parsed_1dsq 4
18 "LYS 36" 67 1 67 8 parsed_1dsq 4
19 "36 LYS+ HN 36 LYS+ QB 3.20 NON-FUNCTIONAL" 68 1 68 52 parsed_1dsq 4
20 "36 LYS+ QB 37 THR HN 3.20 NON-FUNCTIONAL" 70 1 70 54 parsed_1dsq 4
21 "THR 37" 73 1 73 8 parsed_1dsq 4
22 "GLY 38" 78 1 78 8 parsed_1dsq 4
23 "CHECK IF ITS HA2" 79 40 79 56 parsed_1dsq 4
24 "HIS 39" 81 1 81 8 parsed_1dsq 4
25 "39 HIS HD2 40 ILE HN 3.30 SPIN DIFFUSION THRU 39 QB" 85 1 85 63 parsed_1dsq 4
26 "LOOKS MEDIUM (SPIN DIFFUSION)" 86 39 86 68 parsed_1dsq 4
27 "ILE 40" 92 1 92 8 parsed_1dsq 4
28 "40 ILE HB 41 LYS+ HN 3.30 UNRELIABLE, SAME SHIFT AS 41 BETA" 94 1 94 71 parsed_1dsq 4
29 "40 ILE HN 44 CYSZ HB3 3.30 NOT SURE WHAT THIS NOE IS????" 100 1 100 67 parsed_1dsq 4
30 "LYS 41" 103 1 103 8 parsed_1dsq 4
31 "41 LYS+ HN 41 LYS+ QB 3.30 NON-FUNCTIONAL" 104 1 104 52 parsed_1dsq 4
32 "ARG 42" 106 1 106 8 parsed_1dsq 4
33 "42 ARG+ HN 42 ARG+ HB2 3.30 #MAY BE HB3 NON-FUNCTIONAL" 107 1 107 65 parsed_1dsq 4
34 "42 ARG+ HB3 43 ASP- HN 3.30 #MAY BE HB2 NON-FUNCTIONAL" 108 1 108 65 parsed_1dsq 4
35 "ASP 43" 111 1 111 8 parsed_1dsq 4
36 "43 ASP- HN 44 CYSZ HB2 5.00 DOESN'T SEEM RIGHT" 114 1 114 56 parsed_1dsq 4
37 "CYSZ 44" 116 1 116 9 parsed_1dsq 4
38 "LYS+ 45" 123 1 123 9 parsed_1dsq 4
39 "GLU- 46" 126 1 126 9 parsed_1dsq 4
40 "GLU- 47" 129 1 129 9 parsed_1dsq 4
stop_
save_
save_MR_file_comment_10
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1dsq
_Org_constr_file_comment.ID 6
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 10
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
#LOWER LIMITS
;
save_
save_DYANA/DIANA_distance_constraints_11
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1dsq
_Distance_constraint_list.ID 5
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 11
_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_1dsq 5
2 1 . . . parsed_1dsq 5
3 1 . . . parsed_1dsq 5
4 1 . . . parsed_1dsq 5
5 1 . . . parsed_1dsq 5
6 1 . . . parsed_1dsq 5
7 1 . . . parsed_1dsq 5
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 . . . . . . . . . 44 CYSZ ZN parsed_1dsq 5
1 1 2 . . . . . . . . . 39 HIS ND1 parsed_1dsq 5
2 1 1 . . . . . . . . . 44 CYSZ ZN parsed_1dsq 5
2 1 2 . . . . . . . . . 39 HIS CG parsed_1dsq 5
3 1 1 . . . . . . . . . 44 CYSZ ZN parsed_1dsq 5
3 1 2 . . . . . . . . . 31 CYS- CB parsed_1dsq 5
4 1 1 . . . . . . . . . 44 CYSZ ZN parsed_1dsq 5
4 1 2 . . . . . . . . . 34 CYS- CB parsed_1dsq 5
5 1 1 . . . . . . . . . 44 CYSZ ZN parsed_1dsq 5
5 1 2 . . . . . . . . . 31 CYS- SG parsed_1dsq 5
6 1 1 . . . . . . . . . 44 CYSZ ZN parsed_1dsq 5
6 1 2 . . . . . . . . . 34 CYS- SG parsed_1dsq 5
7 1 1 . . . . . . . . . 44 CYSZ ZN parsed_1dsq 5
7 1 2 . . . . . . . . . 39 HIS NE2 parsed_1dsq 5
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 . . . . . . 4.18 . parsed_1dsq 5
2 1 . . . . . . 4.18 . parsed_1dsq 5
3 1 . . . . . . 3.31 . parsed_1dsq 5
4 1 . . . . . . 3.31 . parsed_1dsq 5
5 1 . . . . . . 2.25 . parsed_1dsq 5
6 1 . . . . . . 2.25 . parsed_1dsq 5
7 1 . . . . . . 1.95 . parsed_1dsq 5
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 "44 CYSZ ZN 44 CYSZ CB 3.31" 5 1 5 39 parsed_1dsq 5
2 "44 CYSZ ZN 44 CYSZ SG 2.25" 8 2 8 38 parsed_1dsq 5
stop_
save_
save_DYANA/DIANA_distance_constraints_12
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1dsq
_Distance_constraint_list.ID 6
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 12
_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_1dsq 6
2 1 . . . parsed_1dsq 6
3 1 . . . parsed_1dsq 6
4 1 . . . parsed_1dsq 6
5 1 . . . parsed_1dsq 6
6 1 . . . parsed_1dsq 6
7 1 . . . parsed_1dsq 6
8 1 . . . parsed_1dsq 6
9 1 . . . parsed_1dsq 6
10 1 . . . parsed_1dsq 6
11 1 . . . parsed_1dsq 6
12 1 . . . parsed_1dsq 6
13 1 . . . parsed_1dsq 6
14 1 . . . parsed_1dsq 6
15 1 . . . parsed_1dsq 6
16 1 . . . parsed_1dsq 6
17 1 . . . parsed_1dsq 6
18 1 . . . parsed_1dsq 6
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 . . . . . . . . . 31 CYS- N parsed_1dsq 6
1 1 2 . . . . . . . . . 36 LYS+ O parsed_1dsq 6
2 1 1 . . . . . . . . . 31 CYS- HN parsed_1dsq 6
2 1 2 . . . . . . . . . 36 LYS+ O parsed_1dsq 6
3 1 1 . . . . . . . . . 35 GLY N parsed_1dsq 6
3 1 2 . . . . . . . . . 31 CYS- O parsed_1dsq 6
4 1 1 . . . . . . . . . 35 GLY HN parsed_1dsq 6
4 1 2 . . . . . . . . . 31 CYS- O parsed_1dsq 6
5 1 1 . . . . . . . . . 40 ILE N parsed_1dsq 6
5 1 2 . . . . . . . . . 43 ASP- OD1 parsed_1dsq 6
6 1 1 . . . . . . . . . 40 ILE HN parsed_1dsq 6
6 1 2 . . . . . . . . . 43 ASP- OD1 parsed_1dsq 6
7 1 1 . . . . . . . . . 43 ASP- N parsed_1dsq 6
7 1 2 . . . . . . . . . 40 ILE O parsed_1dsq 6
8 1 1 . . . . . . . . . 43 ASP- HN parsed_1dsq 6
8 1 2 . . . . . . . . . 40 ILE O parsed_1dsq 6
9 1 1 . . . . . . . . . 33 SER N parsed_1dsq 6
9 1 2 . . . . . . . . . 31 CYS- SG parsed_1dsq 6
10 1 1 . . . . . . . . . 33 SER HN parsed_1dsq 6
10 1 2 . . . . . . . . . 31 CYS- SG parsed_1dsq 6
11 1 1 . . . . . . . . . 36 LYS+ N parsed_1dsq 6
11 1 2 . . . . . . . . . 34 CYS- SG parsed_1dsq 6
12 1 1 . . . . . . . . . 36 LYS+ HN parsed_1dsq 6
12 1 2 . . . . . . . . . 34 CYS- SG parsed_1dsq 6
13 1 1 . . . . . . . . . 34 CYS- N parsed_1dsq 6
13 1 2 . . . . . . . . . 31 CYS- SG parsed_1dsq 6
14 1 1 . . . . . . . . . 34 CYS- HN parsed_1dsq 6
14 1 2 . . . . . . . . . 31 CYS- SG parsed_1dsq 6
15 1 1 . . . . . . . . . 29 PRO O parsed_1dsq 6
15 1 2 . . . . . . . . . 38 GLY N parsed_1dsq 6
16 1 1 . . . . . . . . . 29 PRO O parsed_1dsq 6
16 1 2 . . . . . . . . . 38 GLY HN parsed_1dsq 6
17 1 1 . . . . . . . . . 44 CYSZ N parsed_1dsq 6
17 1 2 . . . . . . . . . 41 LYS+ O parsed_1dsq 6
18 1 1 . . . . . . . . . 44 CYSZ HN parsed_1dsq 6
18 1 2 . . . . . . . . . 41 LYS+ O parsed_1dsq 6
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 . . . . . . 2.70 . parsed_1dsq 6
2 1 . . . . . . 1.80 . parsed_1dsq 6
3 1 . . . . . . 2.70 . parsed_1dsq 6
4 1 . . . . . . 1.80 . parsed_1dsq 6
5 1 . . . . . . 2.70 . parsed_1dsq 6
6 1 . . . . . . 1.80 . parsed_1dsq 6
7 1 . . . . . . 2.70 . parsed_1dsq 6
8 1 . . . . . . 1.80 . parsed_1dsq 6
9 1 . . . . . . 3.25 . parsed_1dsq 6
10 1 . . . . . . 2.25 . parsed_1dsq 6
11 1 . . . . . . 3.25 . parsed_1dsq 6
12 1 . . . . . . 2.25 . parsed_1dsq 6
13 1 . . . . . . 3.25 . parsed_1dsq 6
14 1 . . . . . . 2.25 . parsed_1dsq 6
15 1 . . . . . . 2.70 . parsed_1dsq 6
16 1 . . . . . . 1.80 . parsed_1dsq 6
17 1 . . . . . . 2.70 . parsed_1dsq 6
18 1 . . . . . . 1.80 . parsed_1dsq 6
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 "46 GLU- N 44 CYSZ SG 3.25" 17 2 17 38 parsed_1dsq 6
2 "46 GLU- HN 44 CYSZ SG 2.25" 18 2 18 38 parsed_1dsq 6
stop_
save_
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