NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
31099 |
1dsv   |
cing | 2-parsed | STAR | entry | full | 222 |
data_1dsv_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1dsv
_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_1dsv 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1dsv
_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 1dsv "Master copy" parsed_1dsv
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1dsv
_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 1dsv.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1dsv 1
1 1dsv.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1dsv 1
1 1dsv.mr . . DYANA/DIANA 3 distance "general distance" simple 7 parsed_1dsv 1
1 1dsv.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1dsv 1
1 1dsv.mr . . DYANA/DIANA 5 distance "hydrogen bond" simple 34 parsed_1dsv 1
1 1dsv.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1dsv 1
1 1dsv.mr . . DYANA/DIANA 7 distance NOE simple 22 parsed_1dsv 1
1 1dsv.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1dsv 1
1 1dsv.mr . . DYANA/DIANA 9 distance NOE simple 124 parsed_1dsv 1
1 1dsv.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1dsv 1
1 1dsv.mr . . DYANA/DIANA 11 distance "general distance" simple 7 parsed_1dsv 1
1 1dsv.mr . . DYANA/DIANA 12 distance "hydrogen bond" simple 28 parsed_1dsv 1
1 1dsv.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1dsv 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_1dsv
_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 1DSV
*TITLE STRUCTURE OF THE MMTV NUCLEOCAPSID PROTEIN (C-TERMINAL ZINC
*TITLE 2 FINGER)
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: NUCLEIC ACID BINDING PROTEIN P14;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: C-TERMINAL ZINC FINGER 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 1DSV 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1dsv
_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 LIMIT RESTRAINTS
#---------------------------------------------------------------------
# F2 RESTRAINTS - ZINC LIGAND RESTRAINTS
#---------------------------------------------------------------------
;
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1dsv
_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_1dsv 1
2 1 . . . parsed_1dsv 1
3 1 . . . parsed_1dsv 1
4 1 . . . parsed_1dsv 1
5 1 . . . parsed_1dsv 1
6 1 . . . parsed_1dsv 1
7 1 . . . parsed_1dsv 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 . . . . . . . . . 71 CYSZ ZN parsed_1dsv 1
1 1 2 . . . . . . . . . 58 CYS- CB parsed_1dsv 1
2 1 1 . . . . . . . . . 71 CYSZ ZN parsed_1dsv 1
2 1 2 . . . . . . . . . 61 CYS- CB parsed_1dsv 1
3 1 1 . . . . . . . . . 71 CYSZ ZN parsed_1dsv 1
3 1 2 . . . . . . . . . 58 CYS- SG parsed_1dsv 1
4 1 1 . . . . . . . . . 71 CYSZ ZN parsed_1dsv 1
4 1 2 . . . . . . . . . 61 CYS- SG parsed_1dsv 1
5 1 1 . . . . . . . . . 71 CYSZ ZN parsed_1dsv 1
5 1 2 . . . . . . . . . 66 HIS NE2 parsed_1dsv 1
6 1 1 . . . . . . . . . 71 CYSZ ZN parsed_1dsv 1
6 1 2 . . . . . . . . . 66 HIS ND1 parsed_1dsv 1
7 1 1 . . . . . . . . . 71 CYSZ ZN parsed_1dsv 1
7 1 2 . . . . . . . . . 66 HIS CG parsed_1dsv 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_1dsv 1
2 1 . . . . . . . 3.41 parsed_1dsv 1
3 1 . . . . . . . 2.35 parsed_1dsv 1
4 1 . . . . . . . 2.35 parsed_1dsv 1
5 1 . . . . . . . 2.05 parsed_1dsv 1
6 1 . . . . . . . 4.18 parsed_1dsv 1
7 1 . . . . . . . 4.18 parsed_1dsv 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 "71 CYSZ ZN 71 CYSZ CB 3.41" 3 1 3 37 parsed_1dsv 1
2 "71 CYSZ ZN 71 CYSZ SG 2.35" 6 1 6 37 parsed_1dsv 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_1dsv
_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 BONDS
#---------------------------------------------------------------------
;
save_
save_DYANA/DIANA_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1dsv
_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_1dsv 2
2 1 . . . parsed_1dsv 2
3 1 . . . parsed_1dsv 2
4 1 . . . parsed_1dsv 2
5 1 . . . parsed_1dsv 2
6 1 . . . parsed_1dsv 2
7 1 . . . parsed_1dsv 2
8 1 . . . parsed_1dsv 2
9 1 . . . parsed_1dsv 2
10 1 . . . parsed_1dsv 2
11 1 . . . parsed_1dsv 2
12 1 . . . parsed_1dsv 2
13 1 . . . parsed_1dsv 2
14 1 . . . parsed_1dsv 2
15 1 . . . parsed_1dsv 2
16 1 . . . parsed_1dsv 2
17 1 . . . parsed_1dsv 2
18 1 . . . parsed_1dsv 2
19 1 . . . parsed_1dsv 2
20 1 . . . parsed_1dsv 2
21 1 . . . parsed_1dsv 2
22 1 . . . parsed_1dsv 2
23 1 . . . parsed_1dsv 2
24 1 . . . parsed_1dsv 2
25 1 . . . parsed_1dsv 2
26 1 . . . parsed_1dsv 2
27 1 . . . parsed_1dsv 2
28 1 . . . parsed_1dsv 2
29 1 . . . parsed_1dsv 2
30 1 . . . parsed_1dsv 2
31 1 . . . parsed_1dsv 2
32 1 . . . parsed_1dsv 2
33 1 . . . parsed_1dsv 2
34 1 . . . parsed_1dsv 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 . . . . . . . . . 58 CYS- N parsed_1dsv 2
1 1 2 . . . . . . . . . 64 GLY O parsed_1dsv 2
2 1 1 . . . . . . . . . 58 CYS- HN parsed_1dsv 2
2 1 2 . . . . . . . . . 64 GLY O parsed_1dsv 2
3 1 1 . . . . . . . . . 60 ARG+ N parsed_1dsv 2
3 1 2 . . . . . . . . . 58 CYS- SG parsed_1dsv 2
4 1 1 . . . . . . . . . 60 ARG+ HN parsed_1dsv 2
4 1 2 . . . . . . . . . 58 CYS- SG parsed_1dsv 2
5 1 1 . . . . . . . . . 61 CYS- N parsed_1dsv 2
5 1 2 . . . . . . . . . 58 CYS- SG parsed_1dsv 2
6 1 1 . . . . . . . . . 61 CYS- HN parsed_1dsv 2
6 1 2 . . . . . . . . . 58 CYS- SG parsed_1dsv 2
7 1 1 . . . . . . . . . 62 LYS+ N parsed_1dsv 2
7 1 2 . . . . . . . . . 58 CYS- O parsed_1dsv 2
8 1 1 . . . . . . . . . 62 LYS+ HN parsed_1dsv 2
8 1 2 . . . . . . . . . 58 CYS- O parsed_1dsv 2
9 1 1 . . . . . . . . . 63 LYS+ N parsed_1dsv 2
9 1 2 . . . . . . . . . 61 CYS- SG parsed_1dsv 2
10 1 1 . . . . . . . . . 63 LYS+ HN parsed_1dsv 2
10 1 2 . . . . . . . . . 61 CYS- SG parsed_1dsv 2
11 1 1 . . . . . . . . . 66 HIS N parsed_1dsv 2
11 1 2 . . . . . . . . . 56 GLY O parsed_1dsv 2
12 1 1 . . . . . . . . . 66 HIS HN parsed_1dsv 2
12 1 2 . . . . . . . . . 56 GLY O parsed_1dsv 2
13 1 1 . . . . . . . . . 70 GLU- N parsed_1dsv 2
13 1 2 . . . . . . . . . 67 TRP O parsed_1dsv 2
14 1 1 . . . . . . . . . 70 GLU- HN parsed_1dsv 2
14 1 2 . . . . . . . . . 67 TRP O parsed_1dsv 2
15 1 1 . . . . . . . . . 71 CYSZ N parsed_1dsv 2
15 1 2 . . . . . . . . . 68 LYS+ O parsed_1dsv 2
16 1 1 . . . . . . . . . 71 CYSZ HN parsed_1dsv 2
16 1 2 . . . . . . . . . 68 LYS+ O parsed_1dsv 2
17 1 1 . . . . . . . . . 73 SER N parsed_1dsv 2
17 1 2 . . . . . . . . . 71 CYSZ SG parsed_1dsv 2
18 1 1 . . . . . . . . . 73 SER HN parsed_1dsv 2
18 1 2 . . . . . . . . . 71 CYSZ SG parsed_1dsv 2
19 1 1 . . . . . . . . . 76 ASP- N parsed_1dsv 2
19 1 2 . . . . . . . . . 80 ASN O parsed_1dsv 2
20 1 1 . . . . . . . . . 76 ASP- HN parsed_1dsv 2
20 1 2 . . . . . . . . . 80 ASN O parsed_1dsv 2
21 1 1 . . . . . . . . . 77 LYS+ N parsed_1dsv 2
21 1 2 . . . . . . . . . 60 ARG+ O parsed_1dsv 2
22 1 1 . . . . . . . . . 77 LYS+ HN parsed_1dsv 2
22 1 2 . . . . . . . . . 60 ARG+ O parsed_1dsv 2
23 1 1 . . . . . . . . . 80 ASN N parsed_1dsv 2
23 1 2 . . . . . . . . . 76 ASP- O parsed_1dsv 2
24 1 1 . . . . . . . . . 80 ASN HN parsed_1dsv 2
24 1 2 . . . . . . . . . 76 ASP- O parsed_1dsv 2
25 1 1 . . . . . . . . . 82 LEU N parsed_1dsv 2
25 1 2 . . . . . . . . . 74 LYS+ O parsed_1dsv 2
26 1 1 . . . . . . . . . 82 LEU HN parsed_1dsv 2
26 1 2 . . . . . . . . . 74 LYS+ O parsed_1dsv 2
27 1 1 . . . . . . . . . 79 GLY HN parsed_1dsv 2
27 1 2 . . . . . . . . . 76 ASP- O parsed_1dsv 2
28 1 1 . . . . . . . . . 79 GLY N parsed_1dsv 2
28 1 2 . . . . . . . . . 76 ASP- O parsed_1dsv 2
29 1 1 . . . . . . . . . 80 ASN HD21 parsed_1dsv 2
29 1 2 . . . . . . . . . 77 LYS+ O parsed_1dsv 2
30 1 1 . . . . . . . . . 80 ASN ND2 parsed_1dsv 2
30 1 2 . . . . . . . . . 77 LYS+ O parsed_1dsv 2
31 1 1 . . . . . . . . . 80 ASN HD21 parsed_1dsv 2
31 1 2 . . . . . . . . . 78 ASP- QB parsed_1dsv 2
32 1 1 . . . . . . . . . 76 ASP- HN parsed_1dsv 2
32 1 2 . . . . . . . . . 75 PHE QD parsed_1dsv 2
33 1 1 . . . . . . . . . 82 LEU HN parsed_1dsv 2
33 1 2 . . . . . . . . . 75 PHE QD parsed_1dsv 2
34 1 1 . . . . . . . . . 75 PHE HN parsed_1dsv 2
34 1 2 . . . . . . . . . 82 LEU QD2 parsed_1dsv 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_1dsv 2
2 1 . . . . . . . 2.00 parsed_1dsv 2
3 1 . . . . . . . 3.55 parsed_1dsv 2
4 1 . . . . . . . 2.55 parsed_1dsv 2
5 1 . . . . . . . 3.55 parsed_1dsv 2
6 1 . . . . . . . 2.55 parsed_1dsv 2
7 1 . . . . . . . 3.00 parsed_1dsv 2
8 1 . . . . . . . 2.00 parsed_1dsv 2
9 1 . . . . . . . 3.55 parsed_1dsv 2
10 1 . . . . . . . 2.55 parsed_1dsv 2
11 1 . . . . . . . 3.00 parsed_1dsv 2
12 1 . . . . . . . 2.00 parsed_1dsv 2
13 1 . . . . . . . 3.00 parsed_1dsv 2
14 1 . . . . . . . 2.00 parsed_1dsv 2
15 1 . . . . . . . 3.00 parsed_1dsv 2
16 1 . . . . . . . 2.00 parsed_1dsv 2
17 1 . . . . . . . 3.55 parsed_1dsv 2
18 1 . . . . . . . 2.55 parsed_1dsv 2
19 1 . . . . . . . 3.00 parsed_1dsv 2
20 1 . . . . . . . 2.00 parsed_1dsv 2
21 1 . . . . . . . 3.00 parsed_1dsv 2
22 1 . . . . . . . 2.00 parsed_1dsv 2
23 1 . . . . . . . 3.00 parsed_1dsv 2
24 1 . . . . . . . 2.00 parsed_1dsv 2
25 1 . . . . . . . 3.00 parsed_1dsv 2
26 1 . . . . . . . 2.00 parsed_1dsv 2
27 1 . . . . . . . 2.00 parsed_1dsv 2
28 1 . . . . . . . 3.00 parsed_1dsv 2
29 1 . . . . . . . 2.00 parsed_1dsv 2
30 1 . . . . . . . 3.00 parsed_1dsv 2
31 1 . . . . . . . 3.50 parsed_1dsv 2
32 1 . . . . . . . 7.3 parsed_1dsv 2
33 1 . . . . . . . 7.3 parsed_1dsv 2
34 1 . . . . . . . 5.5 parsed_1dsv 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 ADDED 27 1 27 6 parsed_1dsv 2
2 "MORE ADDED" 36 1 36 11 parsed_1dsv 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_1dsv
_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) F2
#---------------------------------------------------------------------
;
save_
save_DYANA/DIANA_distance_constraints_7
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1dsv
_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_1dsv 3
2 1 . . . parsed_1dsv 3
3 1 . . . parsed_1dsv 3
4 1 . . . parsed_1dsv 3
5 1 . . . parsed_1dsv 3
6 1 . . . parsed_1dsv 3
7 1 . . . parsed_1dsv 3
8 1 . . . parsed_1dsv 3
9 1 . . . parsed_1dsv 3
10 1 . . . parsed_1dsv 3
11 1 . . . parsed_1dsv 3
12 1 . . . parsed_1dsv 3
13 1 . . . parsed_1dsv 3
14 1 . . . parsed_1dsv 3
15 1 . . . parsed_1dsv 3
16 1 . . . parsed_1dsv 3
17 1 . . . parsed_1dsv 3
18 1 . . . parsed_1dsv 3
19 1 . . . parsed_1dsv 3
20 1 . . . parsed_1dsv 3
21 1 . . . parsed_1dsv 3
22 1 . . . parsed_1dsv 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 . . . . . . . . . 57 LEU HN parsed_1dsv 3
1 1 2 . . . . . . . . . 56 GLY HA1 parsed_1dsv 3
2 1 1 . . . . . . . . . 58 CYS- HN parsed_1dsv 3
2 1 2 . . . . . . . . . 57 LEU HA parsed_1dsv 3
3 1 1 . . . . . . . . . 60 ARG+ HN parsed_1dsv 3
3 1 2 . . . . . . . . . 59 PRO HA parsed_1dsv 3
4 1 1 . . . . . . . . . 60 ARG+ HN parsed_1dsv 3
4 1 2 . . . . . . . . . 61 CYS- HN parsed_1dsv 3
5 1 1 . . . . . . . . . 61 CYS- HN parsed_1dsv 3
5 1 2 . . . . . . . . . 62 LYS+ HN parsed_1dsv 3
6 1 1 . . . . . . . . . 62 LYS+ HN parsed_1dsv 3
6 1 2 . . . . . . . . . 63 LYS+ HN parsed_1dsv 3
7 1 1 . . . . . . . . . 63 LYS+ HN parsed_1dsv 3
7 1 2 . . . . . . . . . 64 GLY HN parsed_1dsv 3
8 1 1 . . . . . . . . . 65 TYR HN parsed_1dsv 3
8 1 2 . . . . . . . . . 64 GLY HA1 parsed_1dsv 3
9 1 1 . . . . . . . . . 66 HIS HN parsed_1dsv 3
9 1 2 . . . . . . . . . 65 TYR HA parsed_1dsv 3
10 1 1 . . . . . . . . . 67 TRP HN parsed_1dsv 3
10 1 2 . . . . . . . . . 66 HIS HA parsed_1dsv 3
11 1 1 . . . . . . . . . 68 LYS+ HN parsed_1dsv 3
11 1 2 . . . . . . . . . 67 TRP HA parsed_1dsv 3
12 1 1 . . . . . . . . . 68 LYS+ HN parsed_1dsv 3
12 1 2 . . . . . . . . . 69 SER HN parsed_1dsv 3
13 1 1 . . . . . . . . . 69 SER HN parsed_1dsv 3
13 1 2 . . . . . . . . . 70 GLU- HN parsed_1dsv 3
14 1 1 . . . . . . . . . 70 GLU- HN parsed_1dsv 3
14 1 2 . . . . . . . . . 71 CYSZ HN parsed_1dsv 3
15 1 1 . . . . . . . . . 72 LYS+ HN parsed_1dsv 3
15 1 2 . . . . . . . . . 71 CYSZ HA parsed_1dsv 3
16 1 1 . . . . . . . . . 73 SER HN parsed_1dsv 3
16 1 2 . . . . . . . . . 72 LYS+ HN parsed_1dsv 3
17 1 1 . . . . . . . . . 76 ASP- HN parsed_1dsv 3
17 1 2 . . . . . . . . . 75 PHE HA parsed_1dsv 3
18 1 1 . . . . . . . . . 77 LYS+ HN parsed_1dsv 3
18 1 2 . . . . . . . . . 76 ASP- HA parsed_1dsv 3
19 1 1 . . . . . . . . . 78 ASP- HN parsed_1dsv 3
19 1 2 . . . . . . . . . 77 LYS+ HA parsed_1dsv 3
20 1 1 . . . . . . . . . 78 ASP- HN parsed_1dsv 3
20 1 2 . . . . . . . . . 79 GLY HN parsed_1dsv 3
21 1 1 . . . . . . . . . 79 GLY HN parsed_1dsv 3
21 1 2 . . . . . . . . . 80 ASN HN parsed_1dsv 3
22 1 1 . . . . . . . . . 82 LEU HN parsed_1dsv 3
22 1 2 . . . . . . . . . 81 PRO HA parsed_1dsv 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_1dsv 3
2 1 . . . . . . . 2.70 parsed_1dsv 3
3 1 . . . . . . . 3.30 parsed_1dsv 3
4 1 . . . . . . . 2.70 parsed_1dsv 3
5 1 . . . . . . . 2.70 parsed_1dsv 3
6 1 . . . . . . . 2.70 parsed_1dsv 3
7 1 . . . . . . . 2.70 parsed_1dsv 3
8 1 . . . . . . . 2.70 parsed_1dsv 3
9 1 . . . . . . . 2.70 parsed_1dsv 3
10 1 . . . . . . . 2.70 parsed_1dsv 3
11 1 . . . . . . . 2.70 parsed_1dsv 3
12 1 . . . . . . . 3.30 parsed_1dsv 3
13 1 . . . . . . . 3.30 parsed_1dsv 3
14 1 . . . . . . . 2.70 parsed_1dsv 3
15 1 . . . . . . . 2.70 parsed_1dsv 3
16 1 . . . . . . . 2.70 parsed_1dsv 3
17 1 . . . . . . . 2.70 parsed_1dsv 3
18 1 . . . . . . . 2.70 parsed_1dsv 3
19 1 . . . . . . . 2.70 parsed_1dsv 3
20 1 . . . . . . . 2.70 parsed_1dsv 3
21 1 . . . . . . . 2.70 parsed_1dsv 3
22 1 . . . . . . . 2.70 parsed_1dsv 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 "Also a significant HA_HN peak" 16 39 16 68 parsed_1dsv 3
2 "CANNOT SEE HN-HN B/C OVERLAP" 19 39 19 67 parsed_1dsv 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_1dsv
_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 F2
#---------------------------------------------------------------------
;
save_
save_DYANA/DIANA_distance_constraints_9
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1dsv
_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_1dsv 4
2 1 . . . parsed_1dsv 4
3 1 . . . parsed_1dsv 4
4 1 . . . parsed_1dsv 4
5 1 . . . parsed_1dsv 4
6 1 . . . parsed_1dsv 4
7 1 . . . parsed_1dsv 4
8 1 . . . parsed_1dsv 4
9 1 . . . parsed_1dsv 4
10 1 . . . parsed_1dsv 4
11 1 . . . parsed_1dsv 4
12 1 . . . parsed_1dsv 4
13 1 . . . parsed_1dsv 4
14 1 . . . parsed_1dsv 4
15 1 . . . parsed_1dsv 4
16 1 . . . parsed_1dsv 4
17 1 . . . parsed_1dsv 4
18 1 . . . parsed_1dsv 4
19 1 . . . parsed_1dsv 4
20 1 . . . parsed_1dsv 4
21 1 . . . parsed_1dsv 4
22 1 . . . parsed_1dsv 4
23 1 . . . parsed_1dsv 4
24 1 . . . parsed_1dsv 4
25 1 . . . parsed_1dsv 4
26 1 . . . parsed_1dsv 4
27 1 . . . parsed_1dsv 4
28 1 . . . parsed_1dsv 4
29 1 . . . parsed_1dsv 4
30 1 . . . parsed_1dsv 4
31 1 . . . parsed_1dsv 4
32 1 . . . parsed_1dsv 4
33 1 . . . parsed_1dsv 4
34 1 . . . parsed_1dsv 4
35 1 . . . parsed_1dsv 4
36 1 . . . parsed_1dsv 4
37 1 . . . parsed_1dsv 4
38 1 . . . parsed_1dsv 4
39 1 . . . parsed_1dsv 4
40 1 . . . parsed_1dsv 4
41 1 . . . parsed_1dsv 4
42 1 . . . parsed_1dsv 4
43 1 . . . parsed_1dsv 4
44 1 . . . parsed_1dsv 4
45 1 . . . parsed_1dsv 4
46 1 . . . parsed_1dsv 4
47 1 . . . parsed_1dsv 4
48 1 . . . parsed_1dsv 4
49 1 . . . parsed_1dsv 4
50 1 . . . parsed_1dsv 4
51 1 . . . parsed_1dsv 4
52 1 . . . parsed_1dsv 4
53 1 . . . parsed_1dsv 4
54 1 . . . parsed_1dsv 4
55 1 . . . parsed_1dsv 4
56 1 . . . parsed_1dsv 4
57 1 . . . parsed_1dsv 4
58 1 . . . parsed_1dsv 4
59 1 . . . parsed_1dsv 4
60 1 . . . parsed_1dsv 4
61 1 . . . parsed_1dsv 4
62 1 . . . parsed_1dsv 4
63 1 . . . parsed_1dsv 4
64 1 . . . parsed_1dsv 4
65 1 . . . parsed_1dsv 4
66 1 . . . parsed_1dsv 4
67 1 . . . parsed_1dsv 4
68 1 . . . parsed_1dsv 4
69 1 . . . parsed_1dsv 4
70 1 . . . parsed_1dsv 4
71 1 . . . parsed_1dsv 4
72 1 . . . parsed_1dsv 4
73 1 . . . parsed_1dsv 4
74 1 . . . parsed_1dsv 4
75 1 . . . parsed_1dsv 4
76 1 . . . parsed_1dsv 4
77 1 . . . parsed_1dsv 4
78 1 . . . parsed_1dsv 4
79 1 . . . parsed_1dsv 4
80 1 . . . parsed_1dsv 4
81 1 . . . parsed_1dsv 4
82 1 . . . parsed_1dsv 4
83 1 . . . parsed_1dsv 4
84 1 . . . parsed_1dsv 4
85 1 . . . parsed_1dsv 4
86 1 . . . parsed_1dsv 4
87 1 . . . parsed_1dsv 4
88 1 . . . parsed_1dsv 4
89 1 . . . parsed_1dsv 4
90 1 . . . parsed_1dsv 4
91 1 . . . parsed_1dsv 4
92 1 . . . parsed_1dsv 4
93 1 . . . parsed_1dsv 4
94 1 . . . parsed_1dsv 4
95 1 . . . parsed_1dsv 4
96 1 . . . parsed_1dsv 4
97 1 . . . parsed_1dsv 4
98 1 . . . parsed_1dsv 4
99 1 . . . parsed_1dsv 4
100 1 . . . parsed_1dsv 4
101 1 . . . parsed_1dsv 4
102 1 . . . parsed_1dsv 4
103 1 . . . parsed_1dsv 4
104 1 . . . parsed_1dsv 4
105 1 . . . parsed_1dsv 4
106 1 . . . parsed_1dsv 4
107 1 . . . parsed_1dsv 4
108 1 . . . parsed_1dsv 4
109 1 . . . parsed_1dsv 4
110 1 . . . parsed_1dsv 4
111 1 . . . parsed_1dsv 4
112 1 . . . parsed_1dsv 4
113 1 . . . parsed_1dsv 4
114 1 . . . parsed_1dsv 4
115 1 . . . parsed_1dsv 4
116 1 . . . parsed_1dsv 4
117 1 . . . parsed_1dsv 4
118 1 . . . parsed_1dsv 4
119 1 . . . parsed_1dsv 4
120 1 . . . parsed_1dsv 4
121 1 . . . parsed_1dsv 4
122 1 . . . parsed_1dsv 4
123 1 . . . parsed_1dsv 4
124 1 . . . parsed_1dsv 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 . . . . . . . . . 57 LEU HA parsed_1dsv 4
1 1 2 . . . . . . . . . 57 LEU QD1 parsed_1dsv 4
2 1 1 . . . . . . . . . 57 LEU HA parsed_1dsv 4
2 1 2 . . . . . . . . . 57 LEU HG parsed_1dsv 4
3 1 1 . . . . . . . . . 57 LEU QD1 parsed_1dsv 4
3 1 2 . . . . . . . . . 58 CYS- HN parsed_1dsv 4
4 1 1 . . . . . . . . . 57 LEU QD1 parsed_1dsv 4
4 1 2 . . . . . . . . . 64 GLY HN parsed_1dsv 4
5 1 1 . . . . . . . . . 57 LEU HA parsed_1dsv 4
5 1 2 . . . . . . . . . 65 TYR HA parsed_1dsv 4
6 1 1 . . . . . . . . . 57 LEU QD1 parsed_1dsv 4
6 1 2 . . . . . . . . . 65 TYR QE parsed_1dsv 4
7 1 1 . . . . . . . . . 57 LEU HN parsed_1dsv 4
7 1 2 . . . . . . . . . 65 TYR QD parsed_1dsv 4
8 1 1 . . . . . . . . . 57 LEU HN parsed_1dsv 4
8 1 2 . . . . . . . . . 65 TYR QE parsed_1dsv 4
9 1 1 . . . . . . . . . 57 LEU HB2 parsed_1dsv 4
9 1 2 . . . . . . . . . 65 TYR QD parsed_1dsv 4
10 1 1 . . . . . . . . . 58 CYS- HN parsed_1dsv 4
10 1 2 . . . . . . . . . 58 CYS- HB2 parsed_1dsv 4
11 1 1 . . . . . . . . . 58 CYS- HN parsed_1dsv 4
11 1 2 . . . . . . . . . 58 CYS- HB3 parsed_1dsv 4
12 1 1 . . . . . . . . . 58 CYS- HA parsed_1dsv 4
12 1 2 . . . . . . . . . 59 PRO HD2 parsed_1dsv 4
13 1 1 . . . . . . . . . 58 CYS- HA parsed_1dsv 4
13 1 2 . . . . . . . . . 59 PRO HD3 parsed_1dsv 4
14 1 1 . . . . . . . . . 58 CYS- HA parsed_1dsv 4
14 1 2 . . . . . . . . . 60 ARG+ HN parsed_1dsv 4
15 1 1 . . . . . . . . . 58 CYS- HB3 parsed_1dsv 4
15 1 2 . . . . . . . . . 60 ARG+ HN parsed_1dsv 4
16 1 1 . . . . . . . . . 58 CYS- HA parsed_1dsv 4
16 1 2 . . . . . . . . . 61 CYS- HN parsed_1dsv 4
17 1 1 . . . . . . . . . 58 CYS- HB3 parsed_1dsv 4
17 1 2 . . . . . . . . . 61 CYS- HN parsed_1dsv 4
18 1 1 . . . . . . . . . 58 CYS- HN parsed_1dsv 4
18 1 2 . . . . . . . . . 62 LYS+ HA parsed_1dsv 4
19 1 1 . . . . . . . . . 58 CYS- HB3 parsed_1dsv 4
19 1 2 . . . . . . . . . 63 LYS+ HN parsed_1dsv 4
20 1 1 . . . . . . . . . 58 CYS- HN parsed_1dsv 4
20 1 2 . . . . . . . . . 64 GLY HN parsed_1dsv 4
21 1 1 . . . . . . . . . 58 CYS- HB2 parsed_1dsv 4
21 1 2 . . . . . . . . . 64 GLY HN parsed_1dsv 4
22 1 1 . . . . . . . . . 58 CYS- HB3 parsed_1dsv 4
22 1 2 . . . . . . . . . 64 GLY HN parsed_1dsv 4
23 1 1 . . . . . . . . . 58 CYS- HN parsed_1dsv 4
23 1 2 . . . . . . . . . 65 TYR HA parsed_1dsv 4
24 1 1 . . . . . . . . . 58 CYS- HB2 parsed_1dsv 4
24 1 2 . . . . . . . . . 66 HIS HN parsed_1dsv 4
25 1 1 . . . . . . . . . 58 CYS- HN parsed_1dsv 4
25 1 2 . . . . . . . . . 66 HIS HN parsed_1dsv 4
26 1 1 . . . . . . . . . 58 CYS- HB3 parsed_1dsv 4
26 1 2 . . . . . . . . . 66 HIS HD2 parsed_1dsv 4
27 1 1 . . . . . . . . . 58 CYS- HB2 parsed_1dsv 4
27 1 2 . . . . . . . . . 66 HIS HD2 parsed_1dsv 4
28 1 1 . . . . . . . . . 58 CYS- HB2 parsed_1dsv 4
28 1 2 . . . . . . . . . 66 HIS HE1 parsed_1dsv 4
29 1 1 . . . . . . . . . 58 CYS- HA parsed_1dsv 4
29 1 2 . . . . . . . . . 66 HIS HD2 parsed_1dsv 4
30 1 1 . . . . . . . . . 58 CYS- HA parsed_1dsv 4
30 1 2 . . . . . . . . . 67 TRP HA parsed_1dsv 4
31 1 1 . . . . . . . . . 58 CYS- HA parsed_1dsv 4
31 1 2 . . . . . . . . . 68 LYS+ HN parsed_1dsv 4
32 1 1 . . . . . . . . . 59 PRO QB parsed_1dsv 4
32 1 2 . . . . . . . . . 60 ARG+ HN parsed_1dsv 4
33 1 1 . . . . . . . . . 59 PRO HA parsed_1dsv 4
33 1 2 . . . . . . . . . 62 LYS+ HN parsed_1dsv 4
34 1 1 . . . . . . . . . 59 PRO QD parsed_1dsv 4
34 1 2 . . . . . . . . . 60 ARG+ HN parsed_1dsv 4
35 1 1 . . . . . . . . . 60 ARG+ HN parsed_1dsv 4
35 1 2 . . . . . . . . . 60 ARG+ HB2 parsed_1dsv 4
36 1 1 . . . . . . . . . 60 ARG+ HN parsed_1dsv 4
36 1 2 . . . . . . . . . 62 LYS+ HN parsed_1dsv 4
37 1 1 . . . . . . . . . 60 ARG+ HB2 parsed_1dsv 4
37 1 2 . . . . . . . . . 61 CYS- HN parsed_1dsv 4
38 1 1 . . . . . . . . . 61 CYS- HN parsed_1dsv 4
38 1 2 . . . . . . . . . 61 CYS- HB3 parsed_1dsv 4
39 1 1 . . . . . . . . . 61 CYS- HA parsed_1dsv 4
39 1 2 . . . . . . . . . 61 CYS- HB2 parsed_1dsv 4
40 1 1 . . . . . . . . . 61 CYS- HA parsed_1dsv 4
40 1 2 . . . . . . . . . 61 CYS- HB3 parsed_1dsv 4
41 1 1 . . . . . . . . . 61 CYS- HN parsed_1dsv 4
41 1 2 . . . . . . . . . 63 LYS+ HN parsed_1dsv 4
42 1 1 . . . . . . . . . 61 CYS- HB2 parsed_1dsv 4
42 1 2 . . . . . . . . . 73 SER HB3 parsed_1dsv 4
43 1 1 . . . . . . . . . 61 CYS- HB2 parsed_1dsv 4
43 1 2 . . . . . . . . . 73 SER HB2 parsed_1dsv 4
44 1 1 . . . . . . . . . 61 CYS- HA parsed_1dsv 4
44 1 2 . . . . . . . . . 76 ASP- HB2 parsed_1dsv 4
45 1 1 . . . . . . . . . 61 CYS- HA parsed_1dsv 4
45 1 2 . . . . . . . . . 76 ASP- HB3 parsed_1dsv 4
46 1 1 . . . . . . . . . 61 CYS- HB3 parsed_1dsv 4
46 1 2 . . . . . . . . . 76 ASP- HA parsed_1dsv 4
47 1 1 . . . . . . . . . 61 CYS- HB2 parsed_1dsv 4
47 1 2 . . . . . . . . . 76 ASP- HA parsed_1dsv 4
48 1 1 . . . . . . . . . 61 CYS- HA parsed_1dsv 4
48 1 2 . . . . . . . . . 76 ASP- HA parsed_1dsv 4
49 1 1 . . . . . . . . . 61 CYS- HB2 parsed_1dsv 4
49 1 2 . . . . . . . . . 82 LEU QD2 parsed_1dsv 4
50 1 1 . . . . . . . . . 62 LYS+ HN parsed_1dsv 4
50 1 2 . . . . . . . . . 64 GLY HN parsed_1dsv 4
51 1 1 . . . . . . . . . 63 LYS+ HN parsed_1dsv 4
51 1 2 . . . . . . . . . 66 HIS HE1 parsed_1dsv 4
52 1 1 . . . . . . . . . 64 GLY HA2 parsed_1dsv 4
52 1 2 . . . . . . . . . 65 TYR HN parsed_1dsv 4
53 1 1 . . . . . . . . . 64 GLY HN parsed_1dsv 4
53 1 2 . . . . . . . . . 66 HIS HE1 parsed_1dsv 4
54 1 1 . . . . . . . . . 65 TYR HN parsed_1dsv 4
54 1 2 . . . . . . . . . 65 TYR HB2 parsed_1dsv 4
55 1 1 . . . . . . . . . 65 TYR HB3 parsed_1dsv 4
55 1 2 . . . . . . . . . 65 TYR QD parsed_1dsv 4
56 1 1 . . . . . . . . . 65 TYR HB2 parsed_1dsv 4
56 1 2 . . . . . . . . . 66 HIS HN parsed_1dsv 4
57 1 1 . . . . . . . . . 65 TYR HB3 parsed_1dsv 4
57 1 2 . . . . . . . . . 66 HIS HN parsed_1dsv 4
58 1 1 . . . . . . . . . 66 HIS HE1 parsed_1dsv 4
58 1 2 . . . . . . . . . 63 LYS+ HB2 parsed_1dsv 4
59 1 1 . . . . . . . . . 66 HIS HD2 parsed_1dsv 4
59 1 2 . . . . . . . . . 66 HIS HA parsed_1dsv 4
60 1 1 . . . . . . . . . 66 HIS HN parsed_1dsv 4
60 1 2 . . . . . . . . . 66 HIS HD2 parsed_1dsv 4
61 1 1 . . . . . . . . . 66 HIS QB parsed_1dsv 4
61 1 2 . . . . . . . . . 67 TRP HN parsed_1dsv 4
62 1 1 . . . . . . . . . 66 HIS HD2 parsed_1dsv 4
62 1 2 . . . . . . . . . 67 TRP HN parsed_1dsv 4
63 1 1 . . . . . . . . . 66 HIS HD2 parsed_1dsv 4
63 1 2 . . . . . . . . . 70 GLU- HN parsed_1dsv 4
64 1 1 . . . . . . . . . 66 HIS QB parsed_1dsv 4
64 1 2 . . . . . . . . . 70 GLU- HN parsed_1dsv 4
65 1 1 . . . . . . . . . 66 HIS HD2 parsed_1dsv 4
65 1 2 . . . . . . . . . 71 CYSZ HA parsed_1dsv 4
66 1 1 . . . . . . . . . 66 HIS HD2 parsed_1dsv 4
66 1 2 . . . . . . . . . 71 CYSZ HB2 parsed_1dsv 4
67 1 1 . . . . . . . . . 66 HIS HD2 parsed_1dsv 4
67 1 2 . . . . . . . . . 71 CYSZ HN parsed_1dsv 4
68 1 1 . . . . . . . . . 67 TRP HN parsed_1dsv 4
68 1 2 . . . . . . . . . 67 TRP HB2 parsed_1dsv 4
69 1 1 . . . . . . . . . 67 TRP HN parsed_1dsv 4
69 1 2 . . . . . . . . . 67 TRP HD1 parsed_1dsv 4
70 1 1 . . . . . . . . . 67 TRP HE3 parsed_1dsv 4
70 1 2 . . . . . . . . . 68 LYS+ HN parsed_1dsv 4
71 1 1 . . . . . . . . . 67 TRP HB3 parsed_1dsv 4
71 1 2 . . . . . . . . . 68 LYS+ HN parsed_1dsv 4
72 1 1 . . . . . . . . . 67 TRP HB3 parsed_1dsv 4
72 1 2 . . . . . . . . . 69 SER HN parsed_1dsv 4
73 1 1 . . . . . . . . . 67 TRP HN parsed_1dsv 4
73 1 2 . . . . . . . . . 70 GLU- QB parsed_1dsv 4
74 1 1 . . . . . . . . . 67 TRP HN parsed_1dsv 4
74 1 2 . . . . . . . . . 70 GLU- QG parsed_1dsv 4
75 1 1 . . . . . . . . . 67 TRP HB3 parsed_1dsv 4
75 1 2 . . . . . . . . . 70 GLU- HN parsed_1dsv 4
76 1 1 . . . . . . . . . 68 LYS+ HN parsed_1dsv 4
76 1 2 . . . . . . . . . 68 LYS+ QB parsed_1dsv 4
77 1 1 . . . . . . . . . 68 LYS+ HA parsed_1dsv 4
77 1 2 . . . . . . . . . 71 CYSZ HN parsed_1dsv 4
78 1 1 . . . . . . . . . 69 SER HB3 parsed_1dsv 4
78 1 2 . . . . . . . . . 69 SER HN parsed_1dsv 4
79 1 1 . . . . . . . . . 69 SER HB2 parsed_1dsv 4
79 1 2 . . . . . . . . . 70 GLU- HN parsed_1dsv 4
80 1 1 . . . . . . . . . 69 SER HN parsed_1dsv 4
80 1 2 . . . . . . . . . 70 GLU- QB parsed_1dsv 4
81 1 1 . . . . . . . . . 69 SER HN parsed_1dsv 4
81 1 2 . . . . . . . . . 70 GLU- QG parsed_1dsv 4
82 1 1 . . . . . . . . . 69 SER HA parsed_1dsv 4
82 1 2 . . . . . . . . . 71 CYSZ HN parsed_1dsv 4
83 1 1 . . . . . . . . . 69 SER HN parsed_1dsv 4
83 1 2 . . . . . . . . . 71 CYSZ HN parsed_1dsv 4
84 1 1 . . . . . . . . . 70 GLU- HN parsed_1dsv 4
84 1 2 . . . . . . . . . 70 GLU- QG parsed_1dsv 4
85 1 1 . . . . . . . . . 70 GLU- HN parsed_1dsv 4
85 1 2 . . . . . . . . . 70 GLU- QB parsed_1dsv 4
86 1 1 . . . . . . . . . 71 CYSZ HN parsed_1dsv 4
86 1 2 . . . . . . . . . 71 CYSZ HB2 parsed_1dsv 4
87 1 1 . . . . . . . . . 71 CYSZ HN parsed_1dsv 4
87 1 2 . . . . . . . . . 71 CYSZ HB3 parsed_1dsv 4
88 1 1 . . . . . . . . . 71 CYSZ HA parsed_1dsv 4
88 1 2 . . . . . . . . . 71 CYSZ HB2 parsed_1dsv 4
89 1 1 . . . . . . . . . 71 CYSZ HB2 parsed_1dsv 4
89 1 2 . . . . . . . . . 72 LYS+ HN parsed_1dsv 4
90 1 1 . . . . . . . . . 71 CYSZ HB3 parsed_1dsv 4
90 1 2 . . . . . . . . . 72 LYS+ HN parsed_1dsv 4
91 1 1 . . . . . . . . . 71 CYSZ HA parsed_1dsv 4
91 1 2 . . . . . . . . . 73 SER HN parsed_1dsv 4
92 1 1 . . . . . . . . . 73 SER HN parsed_1dsv 4
92 1 2 . . . . . . . . . 73 SER HB2 parsed_1dsv 4
93 1 1 . . . . . . . . . 73 SER HB3 parsed_1dsv 4
93 1 2 . . . . . . . . . 75 PHE HN parsed_1dsv 4
94 1 1 . . . . . . . . . 73 SER HN parsed_1dsv 4
94 1 2 . . . . . . . . . 82 LEU QD2 parsed_1dsv 4
95 1 1 . . . . . . . . . 73 SER HB2 parsed_1dsv 4
95 1 2 . . . . . . . . . 82 LEU QD2 parsed_1dsv 4
96 1 1 . . . . . . . . . 75 PHE HN parsed_1dsv 4
96 1 2 . . . . . . . . . 75 PHE HB2 parsed_1dsv 4
97 1 1 . . . . . . . . . 75 PHE HN parsed_1dsv 4
97 1 2 . . . . . . . . . 75 PHE QD parsed_1dsv 4
98 1 1 . . . . . . . . . 75 PHE HB3 parsed_1dsv 4
98 1 2 . . . . . . . . . 76 ASP- HN parsed_1dsv 4
99 1 1 . . . . . . . . . 75 PHE HA parsed_1dsv 4
99 1 2 . . . . . . . . . 80 ASN HN parsed_1dsv 4
100 1 1 . . . . . . . . . 75 PHE HA parsed_1dsv 4
100 1 2 . . . . . . . . . 81 PRO HA parsed_1dsv 4
101 1 1 . . . . . . . . . 75 PHE QD parsed_1dsv 4
101 1 2 . . . . . . . . . 81 PRO HA parsed_1dsv 4
102 1 1 . . . . . . . . . 75 PHE HN parsed_1dsv 4
102 1 2 . . . . . . . . . 82 LEU QD2 parsed_1dsv 4
103 1 1 . . . . . . . . . 75 PHE HA parsed_1dsv 4
103 1 2 . . . . . . . . . 82 LEU HN parsed_1dsv 4
104 1 1 . . . . . . . . . 76 ASP- HN parsed_1dsv 4
104 1 2 . . . . . . . . . 76 ASP- HB3 parsed_1dsv 4
105 1 1 . . . . . . . . . 76 ASP- HB2 parsed_1dsv 4
105 1 2 . . . . . . . . . 77 LYS+ HN parsed_1dsv 4
106 1 1 . . . . . . . . . 76 ASP- HN parsed_1dsv 4
106 1 2 . . . . . . . . . 79 GLY HA1 parsed_1dsv 4
107 1 1 . . . . . . . . . 76 ASP- HN parsed_1dsv 4
107 1 2 . . . . . . . . . 79 GLY HN parsed_1dsv 4
108 1 1 . . . . . . . . . 76 ASP- HA parsed_1dsv 4
108 1 2 . . . . . . . . . 80 ASN HN parsed_1dsv 4
109 1 1 . . . . . . . . . 76 ASP- HN parsed_1dsv 4
109 1 2 . . . . . . . . . 80 ASN HN parsed_1dsv 4
110 1 1 . . . . . . . . . 76 ASP- HN parsed_1dsv 4
110 1 2 . . . . . . . . . 81 PRO HA parsed_1dsv 4
111 1 1 . . . . . . . . . 76 ASP- HN parsed_1dsv 4
111 1 2 . . . . . . . . . 82 LEU QD2 parsed_1dsv 4
112 1 1 . . . . . . . . . 76 ASP- HN parsed_1dsv 4
112 1 2 . . . . . . . . . 82 LEU HN parsed_1dsv 4
113 1 1 . . . . . . . . . 77 LYS+ HA parsed_1dsv 4
113 1 2 . . . . . . . . . 79 GLY HN parsed_1dsv 4
114 1 1 . . . . . . . . . 78 ASP- HN parsed_1dsv 4
114 1 2 . . . . . . . . . 78 ASP- HB3 parsed_1dsv 4
115 1 1 . . . . . . . . . 78 ASP- HN parsed_1dsv 4
115 1 2 . . . . . . . . . 79 GLY HA1 parsed_1dsv 4
116 1 1 . . . . . . . . . 78 ASP- HB3 parsed_1dsv 4
116 1 2 . . . . . . . . . 79 GLY HN parsed_1dsv 4
117 1 1 . . . . . . . . . 78 ASP- HN parsed_1dsv 4
117 1 2 . . . . . . . . . 80 ASN HN parsed_1dsv 4
118 1 1 . . . . . . . . . 80 ASN HN parsed_1dsv 4
118 1 2 . . . . . . . . . 80 ASN HB2 parsed_1dsv 4
119 1 1 . . . . . . . . . 80 ASN HA parsed_1dsv 4
119 1 2 . . . . . . . . . 81 PRO HD2 parsed_1dsv 4
120 1 1 . . . . . . . . . 80 ASN HA parsed_1dsv 4
120 1 2 . . . . . . . . . 81 PRO HD3 parsed_1dsv 4
121 1 1 . . . . . . . . . 82 LEU HN parsed_1dsv 4
121 1 2 . . . . . . . . . 82 LEU HB2 parsed_1dsv 4
122 1 1 . . . . . . . . . 82 LEU HA parsed_1dsv 4
122 1 2 . . . . . . . . . 82 LEU QD1 parsed_1dsv 4
123 1 1 . . . . . . . . . 82 LEU HA parsed_1dsv 4
123 1 2 . . . . . . . . . 83 PRO HD2 parsed_1dsv 4
124 1 1 . . . . . . . . . 82 LEU HA parsed_1dsv 4
124 1 2 . . . . . . . . . 83 PRO HD3 parsed_1dsv 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 . . . . . . . 3.80 parsed_1dsv 4
2 1 . . . . . . . 3.30 parsed_1dsv 4
3 1 . . . . . . . 3.30 parsed_1dsv 4
4 1 . . . . . . . 3.20 parsed_1dsv 4
5 1 . . . . . . . 2.70 parsed_1dsv 4
6 1 . . . . . . . 3.90 parsed_1dsv 4
7 1 . . . . . . . 5.50 parsed_1dsv 4
8 1 . . . . . . . 5.50 parsed_1dsv 4
9 1 . . . . . . . 3.80 parsed_1dsv 4
10 1 . . . . . . . 2.70 parsed_1dsv 4
11 1 . . . . . . . 2.70 parsed_1dsv 4
12 1 . . . . . . . 2.70 parsed_1dsv 4
13 1 . . . . . . . 2.70 parsed_1dsv 4
14 1 . . . . . . . 5.00 parsed_1dsv 4
15 1 . . . . . . . 5.00 parsed_1dsv 4
16 1 . . . . . . . 5.00 parsed_1dsv 4
17 1 . . . . . . . 5.00 parsed_1dsv 4
18 1 . . . . . . . 5.00 parsed_1dsv 4
19 1 . . . . . . . 5.00 parsed_1dsv 4
20 1 . . . . . . . 5.00 parsed_1dsv 4
21 1 . . . . . . . 5.00 parsed_1dsv 4
22 1 . . . . . . . 5.00 parsed_1dsv 4
23 1 . . . . . . . 3.30 parsed_1dsv 4
24 1 . . . . . . . 3.30 parsed_1dsv 4
25 1 . . . . . . . 3.30 parsed_1dsv 4
26 1 . . . . . . . 5.00 parsed_1dsv 4
27 1 . . . . . . . 2.70 parsed_1dsv 4
28 1 . . . . . . . 5.00 parsed_1dsv 4
29 1 . . . . . . . 5.00 parsed_1dsv 4
30 1 . . . . . . . 5.00 parsed_1dsv 4
31 1 . . . . . . . 5.00 parsed_1dsv 4
32 1 . . . . . . . 5.50 parsed_1dsv 4
33 1 . . . . . . . 5.00 parsed_1dsv 4
34 1 . . . . . . . 3.80 parsed_1dsv 4
35 1 . . . . . . . 2.70 parsed_1dsv 4
36 1 . . . . . . . 5.00 parsed_1dsv 4
37 1 . . . . . . . 2.70 parsed_1dsv 4
38 1 . . . . . . . 2.70 parsed_1dsv 4
39 1 . . . . . . . 2.70 parsed_1dsv 4
40 1 . . . . . . . 2.70 parsed_1dsv 4
41 1 . . . . . . . 5.00 parsed_1dsv 4
42 1 . . . . . . . 5.00 parsed_1dsv 4
43 1 . . . . . . . 5.00 parsed_1dsv 4
44 1 . . . . . . . 3.30 parsed_1dsv 4
45 1 . . . . . . . 3.30 parsed_1dsv 4
46 1 . . . . . . . 3.30 parsed_1dsv 4
47 1 . . . . . . . 3.30 parsed_1dsv 4
48 1 . . . . . . . 2.70 parsed_1dsv 4
49 1 . . . . . . . 3.80 parsed_1dsv 4
50 1 . . . . . . . 5.00 parsed_1dsv 4
51 1 . . . . . . . 5.00 parsed_1dsv 4
52 1 . . . . . . . 3.30 parsed_1dsv 4
53 1 . . . . . . . 5.00 parsed_1dsv 4
54 1 . . . . . . . 3.30 parsed_1dsv 4
55 1 . . . . . . . 3.30 parsed_1dsv 4
56 1 . . . . . . . 5.00 parsed_1dsv 4
57 1 . . . . . . . 5.00 parsed_1dsv 4
58 1 . . . . . . . 5.00 parsed_1dsv 4
59 1 . . . . . . . 5.00 parsed_1dsv 4
60 1 . . . . . . . 5.00 parsed_1dsv 4
61 1 . . . . . . . 3.20 parsed_1dsv 4
62 1 . . . . . . . 5.00 parsed_1dsv 4
63 1 . . . . . . . 5.00 parsed_1dsv 4
64 1 . . . . . . . 5.50 parsed_1dsv 4
65 1 . . . . . . . 3.30 parsed_1dsv 4
66 1 . . . . . . . 2.70 parsed_1dsv 4
67 1 . . . . . . . 3.30 parsed_1dsv 4
68 1 . . . . . . . 3.30 parsed_1dsv 4
69 1 . . . . . . . 2.70 parsed_1dsv 4
70 1 . . . . . . . 3.30 parsed_1dsv 4
71 1 . . . . . . . 3.30 parsed_1dsv 4
72 1 . . . . . . . 3.30 parsed_1dsv 4
73 1 . . . . . . . 4.10 parsed_1dsv 4
74 1 . . . . . . . 4.10 parsed_1dsv 4
75 1 . . . . . . . 3.30 parsed_1dsv 4
76 1 . . . . . . . 3.90 parsed_1dsv 4
77 1 . . . . . . . 5.00 parsed_1dsv 4
78 1 . . . . . . . 2.70 parsed_1dsv 4
79 1 . . . . . . . 5.00 parsed_1dsv 4
80 1 . . . . . . . 5.50 parsed_1dsv 4
81 1 . . . . . . . 5.50 parsed_1dsv 4
82 1 . . . . . . . 5.00 parsed_1dsv 4
83 1 . . . . . . . 5.00 parsed_1dsv 4
84 1 . . . . . . . 4.10 parsed_1dsv 4
85 1 . . . . . . . 4.10 parsed_1dsv 4
86 1 . . . . . . . 2.70 parsed_1dsv 4
87 1 . . . . . . . 2.70 parsed_1dsv 4
88 1 . . . . . . . 2.70 parsed_1dsv 4
89 1 . . . . . . . 5.00 parsed_1dsv 4
90 1 . . . . . . . 5.00 parsed_1dsv 4
91 1 . . . . . . . 3.30 parsed_1dsv 4
92 1 . . . . . . . 2.70 parsed_1dsv 4
93 1 . . . . . . . 3.30 parsed_1dsv 4
94 1 . . . . . . . 5.50 parsed_1dsv 4
95 1 . . . . . . . 5.50 parsed_1dsv 4
96 1 . . . . . . . 2.70 parsed_1dsv 4
97 1 . . . . . . . 7.3 parsed_1dsv 4
98 1 . . . . . . . 5.00 parsed_1dsv 4
99 1 . . . . . . . 5.00 parsed_1dsv 4
100 1 . . . . . . . 2.70 parsed_1dsv 4
101 1 . . . . . . . 5.00 parsed_1dsv 4
102 1 . . . . . . . 3.80 parsed_1dsv 4
103 1 . . . . . . . 3.30 parsed_1dsv 4
104 1 . . . . . . . 3.30 parsed_1dsv 4
105 1 . . . . . . . 2.70 parsed_1dsv 4
106 1 . . . . . . . 5.00 parsed_1dsv 4
107 1 . . . . . . . 5.00 parsed_1dsv 4
108 1 . . . . . . . 5.00 parsed_1dsv 4
109 1 . . . . . . . 3.30 parsed_1dsv 4
110 1 . . . . . . . 5.00 parsed_1dsv 4
111 1 . . . . . . . 3.80 parsed_1dsv 4
112 1 . . . . . . . 5.00 parsed_1dsv 4
113 1 . . . . . . . 5.00 parsed_1dsv 4
114 1 . . . . . . . 3.30 parsed_1dsv 4
115 1 . . . . . . . 5.00 parsed_1dsv 4
116 1 . . . . . . . 5.00 parsed_1dsv 4
117 1 . . . . . . . 5.00 parsed_1dsv 4
118 1 . . . . . . . 2.70 parsed_1dsv 4
119 1 . . . . . . . 2.70 parsed_1dsv 4
120 1 . . . . . . . 2.70 parsed_1dsv 4
121 1 . . . . . . . 2.70 parsed_1dsv 4
122 1 . . . . . . . 3.20 parsed_1dsv 4
123 1 . . . . . . . 3.30 parsed_1dsv 4
124 1 . . . . . . . 3.30 parsed_1dsv 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 "GLY 56" 1 1 1 8 parsed_1dsv 4
2 "56 GLY HN 56 GLY HA2 2.70 #CHECK STEREO OF G56" 2 1 2 58 parsed_1dsv 4
3 "56 GLY HA2 57 LEU HN 3.30 SPIN DIFFUSION" 3 1 3 52 parsed_1dsv 4
4 "56 GLY HN 65 TYR QE 5.50 NOT SURE WHERE THIS CAME FROM, NOT 3DNOE" 4 1 4 78 parsed_1dsv 4
5 "LEU 57" 6 1 6 8 parsed_1dsv 4
6 "57 LEU HA 66 HIS HA 5.00 LIKELY SPIN DIFF." 16 1 16 55 parsed_1dsv 4
7 "57 LEU QD2 66 HIS HN 5.50 CHECK AGAIN" 17 1 17 49 parsed_1dsv 4
8 "57 LEU HA 67 TRP HN 5.00 LIKELY SPIN DIFF." 18 1 18 55 parsed_1dsv 4
9 "CYS 58" 20 1 20 8 parsed_1dsv 4
10 "APPEARS MED B/C SD" 26 39 26 57 parsed_1dsv 4
11 "58 CYS- HN 63 LYS+ HN 5.00 SPIN DIFFUSION" 30 1 30 52 parsed_1dsv 4
12 "PRO 59" 45 1 45 8 parsed_1dsv 4
13 "ARG 60" 50 1 50 8 parsed_1dsv 4
14 "60 ARG+ HN 61 CYS- HB3 5.00 Spin Diffusion" 52 1 52 52 parsed_1dsv 4
15 "60 ARG+ HN 61 CYS- HA 5.00 NOT SURE" 53 1 53 46 parsed_1dsv 4
16 "CYS 61" 57 1 57 8 parsed_1dsv 4
17 "LYS 62" 71 1 71 8 parsed_1dsv 4
18 "LYS 63" 74 1 74 8 parsed_1dsv 4
19 "63 LYS+ HB3 64 GLY HN 3.30 NON-FUNCTIONAL" 75 1 75 52 parsed_1dsv 4
20 "GLY 64" 78 1 78 8 parsed_1dsv 4
21 "TYR 65" 82 1 82 8 parsed_1dsv 4
22 "HIS 66" 88 1 88 8 parsed_1dsv 4
23 "66 HIS HN 66 HIS QB 4.10 UNSURE" 90 1 90 44 parsed_1dsv 4
24 "TRP 67" 101 1 101 8 parsed_1dsv 4
25 "LYS 68" 111 1 111 8 parsed_1dsv 4
26 "SER 69" 115 1 115 8 parsed_1dsv 4
27 "GLU 70" 123 1 123 8 parsed_1dsv 4
28 "CYSZ 71" 127 1 127 9 parsed_1dsv 4
29 "LYS 72" 135 1 135 8 parsed_1dsv 4
30 "SER 73" 137 1 137 8 parsed_1dsv 4
31 "73 SER HA 75 PHE HN 3.30 Doesn't align, NOE could be from 74 HA???" 139 1 139 79 parsed_1dsv 4
32 "LYS 74" 144 1 144 8 parsed_1dsv 4
33 "PHE 75" 146 1 146 8 parsed_1dsv 4
34 "75 PHE HN 75 PHE HD1 5.00 correct Dan's restraint for pseudoatom" 148 1 148 77 parsed_1dsv 4
35 "75 PHE HA 79 GLY HN 5.00 LIKELY SPIN DIFF." 151 1 151 55 parsed_1dsv 4
36 "75 PHE QE 81 PRO QB 3.30 NOT SURE" 155 1 155 46 parsed_1dsv 4
37 "ASP 76" 159 1 159 8 parsed_1dsv 4
38 "76 ASP- HA 78 ASP- HN 5.00 Unreliable peak, overlap" 162 1 162 62 parsed_1dsv 4
39 "Maybe doesn't line up" 163 39 163 60 parsed_1dsv 4
40 "76 ASP- HN 80 ASN HA 5.00 LIKELY S.D." 165 1 165 49 parsed_1dsv 4
41 "HARD TO TELL, OVERLAP" 167 39 167 60 parsed_1dsv 4
42 "APPEARS MEDIUM, SD" 168 39 168 57 parsed_1dsv 4
43 "LYS 77" 172 1 172 8 parsed_1dsv 4
44 "77 LYS+ HN 77 LYS+ HB2 2.70 NON-FUNCTIONAL" 173 1 173 52 parsed_1dsv 4
45 "77 LYS+ HA 80 ASN HN 5.00 Very weak, spin diff" 175 1 175 58 parsed_1dsv 4
46 "ASP 78" 177 1 177 8 parsed_1dsv 4
47 "Maybe doesn't line up???" 179 39 179 63 parsed_1dsv 4
48 "appears medium SD" 181 39 181 56 parsed_1dsv 4
49 "GLY 79" 183 1 183 8 parsed_1dsv 4
50 "79 GLY HN 80 ASN HA 5.00 NOT SURE" 184 1 184 46 parsed_1dsv 4
51 "ASN 80" 186 1 186 8 parsed_1dsv 4
52 "PRO 81" 191 1 191 8 parsed_1dsv 4
53 "LEU 82" 193 1 193 8 parsed_1dsv 4
54 "LEU 85" 199 1 199 9 parsed_1dsv 4
55 "85 LEU HN 84 PRO HA 2.70" 200 1 200 38 parsed_1dsv 4
56 "85 LEU HN 85 LEU QB 3.50" 201 1 201 38 parsed_1dsv 4
57 "85 LEU HN 85 LEU QQD 4.10" 202 1 202 39 parsed_1dsv 4
58 "GLU- 86" 204 1 204 9 parsed_1dsv 4
59 "86 GLU- HN 85 LEU QQD 4.10" 205 1 205 39 parsed_1dsv 4
60 "86 GLU- HN 86 GLU- HB2 3.30" 206 1 206 38 parsed_1dsv 4
61 "86 GLU- HN 86 GLU- HB3 3.30" 207 1 207 38 parsed_1dsv 4
62 "86 GLU- HN 85 LEU QB 4.10" 208 1 208 39 parsed_1dsv 4
63 "86 GLU- HN 85 LEU HA 2.70" 209 1 209 38 parsed_1dsv 4
64 "THR 87" 211 1 211 8 parsed_1dsv 4
65 "87 THR HN 87 THR HB 5.00" 212 1 212 39 parsed_1dsv 4
66 "87 THR HN 86 GLU- HB2 5.00" 213 1 213 38 parsed_1dsv 4
67 "87 THR HN 86 GLU- HB3 5.00" 214 1 214 39 parsed_1dsv 4
68 "87 THR HN 87 THR QG2 5.00" 215 1 215 39 parsed_1dsv 4
69 "87 THR HN 85 LEU QB 5.00" 216 1 216 38 parsed_1dsv 4
70 "ALA 89" 218 1 218 8 parsed_1dsv 4
71 "89 ALA HN 89 ALA QB 4.10" 219 1 219 38 parsed_1dsv 4
72 "GLU- 90" 221 1 221 9 parsed_1dsv 4
73 "90 GLU- HN 89 ALA QB 4.10" 222 1 222 38 parsed_1dsv 4
74 "90 GLU- HN 90 GLU- QG 4.10" 223 1 223 38 parsed_1dsv 4
75 "90 GLU- HN 90 GLU- HB3 2.70" 224 1 224 38 parsed_1dsv 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_1dsv
_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 LIMIT RESTRAINTS
;
save_
save_DYANA/DIANA_distance_constraints_11
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1dsv
_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_1dsv 5
2 1 . . . parsed_1dsv 5
3 1 . . . parsed_1dsv 5
4 1 . . . parsed_1dsv 5
5 1 . . . parsed_1dsv 5
6 1 . . . parsed_1dsv 5
7 1 . . . parsed_1dsv 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 . . . . . . . . . 71 CYSZ ZN parsed_1dsv 5
1 1 2 . . . . . . . . . 66 HIS ND1 parsed_1dsv 5
2 1 1 . . . . . . . . . 71 CYSZ ZN parsed_1dsv 5
2 1 2 . . . . . . . . . 66 HIS CG parsed_1dsv 5
3 1 1 . . . . . . . . . 71 CYSZ ZN parsed_1dsv 5
3 1 2 . . . . . . . . . 66 HIS NE2 parsed_1dsv 5
4 1 1 . . . . . . . . . 71 CYSZ ZN parsed_1dsv 5
4 1 2 . . . . . . . . . 58 CYS- CB parsed_1dsv 5
5 1 1 . . . . . . . . . 71 CYSZ ZN parsed_1dsv 5
5 1 2 . . . . . . . . . 61 CYS- CB parsed_1dsv 5
6 1 1 . . . . . . . . . 71 CYSZ ZN parsed_1dsv 5
6 1 2 . . . . . . . . . 58 CYS- SG parsed_1dsv 5
7 1 1 . . . . . . . . . 71 CYSZ ZN parsed_1dsv 5
7 1 2 . . . . . . . . . 61 CYS- SG parsed_1dsv 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_1dsv 5
2 1 . . . . . . 4.18 . parsed_1dsv 5
3 1 . . . . . . 1.95 . parsed_1dsv 5
4 1 . . . . . . 3.31 . parsed_1dsv 5
5 1 . . . . . . 3.31 . parsed_1dsv 5
6 1 . . . . . . 2.25 . parsed_1dsv 5
7 1 . . . . . . 2.25 . parsed_1dsv 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 "71 CYSZ ZN 71 CYSZ CB 3.31" 6 1 6 37 parsed_1dsv 5
2 "71 CYSZ ZN 71 CYSZ SG 2.25" 9 1 9 37 parsed_1dsv 5
stop_
save_
save_DYANA/DIANA_distance_constraints_12
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1dsv
_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_1dsv 6
2 1 . . . parsed_1dsv 6
3 1 . . . parsed_1dsv 6
4 1 . . . parsed_1dsv 6
5 1 . . . parsed_1dsv 6
6 1 . . . parsed_1dsv 6
7 1 . . . parsed_1dsv 6
8 1 . . . parsed_1dsv 6
9 1 . . . parsed_1dsv 6
10 1 . . . parsed_1dsv 6
11 1 . . . parsed_1dsv 6
12 1 . . . parsed_1dsv 6
13 1 . . . parsed_1dsv 6
14 1 . . . parsed_1dsv 6
15 1 . . . parsed_1dsv 6
16 1 . . . parsed_1dsv 6
17 1 . . . parsed_1dsv 6
18 1 . . . parsed_1dsv 6
19 1 . . . parsed_1dsv 6
20 1 . . . parsed_1dsv 6
21 1 . . . parsed_1dsv 6
22 1 . . . parsed_1dsv 6
23 1 . . . parsed_1dsv 6
24 1 . . . parsed_1dsv 6
25 1 . . . parsed_1dsv 6
26 1 . . . parsed_1dsv 6
27 1 . . . parsed_1dsv 6
28 1 . . . parsed_1dsv 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 . . . . . . . . . 71 CYSZ N parsed_1dsv 6
1 1 2 . . . . . . . . . 68 LYS+ O parsed_1dsv 6
2 1 1 . . . . . . . . . 71 CYSZ HN parsed_1dsv 6
2 1 2 . . . . . . . . . 68 LYS+ O parsed_1dsv 6
3 1 1 . . . . . . . . . 70 GLU- N parsed_1dsv 6
3 1 2 . . . . . . . . . 67 TRP O parsed_1dsv 6
4 1 1 . . . . . . . . . 70 GLU- HN parsed_1dsv 6
4 1 2 . . . . . . . . . 67 TRP O parsed_1dsv 6
5 1 1 . . . . . . . . . 60 ARG+ HN parsed_1dsv 6
5 1 2 . . . . . . . . . 58 CYS- SG parsed_1dsv 6
6 1 1 . . . . . . . . . 60 ARG+ N parsed_1dsv 6
6 1 2 . . . . . . . . . 58 CYS- SG parsed_1dsv 6
7 1 1 . . . . . . . . . 61 CYS- N parsed_1dsv 6
7 1 2 . . . . . . . . . 58 CYS- SG parsed_1dsv 6
8 1 1 . . . . . . . . . 61 CYS- HN parsed_1dsv 6
8 1 2 . . . . . . . . . 58 CYS- SG parsed_1dsv 6
9 1 1 . . . . . . . . . 63 LYS+ N parsed_1dsv 6
9 1 2 . . . . . . . . . 61 CYS- SG parsed_1dsv 6
10 1 1 . . . . . . . . . 63 LYS+ HN parsed_1dsv 6
10 1 2 . . . . . . . . . 61 CYS- SG parsed_1dsv 6
11 1 1 . . . . . . . . . 73 SER N parsed_1dsv 6
11 1 2 . . . . . . . . . 71 CYSZ SG parsed_1dsv 6
12 1 1 . . . . . . . . . 73 SER HN parsed_1dsv 6
12 1 2 . . . . . . . . . 71 CYSZ SG parsed_1dsv 6
13 1 1 . . . . . . . . . 58 CYS- N parsed_1dsv 6
13 1 2 . . . . . . . . . 64 GLY O parsed_1dsv 6
14 1 1 . . . . . . . . . 58 CYS- HN parsed_1dsv 6
14 1 2 . . . . . . . . . 64 GLY O parsed_1dsv 6
15 1 1 . . . . . . . . . 62 LYS+ HN parsed_1dsv 6
15 1 2 . . . . . . . . . 58 CYS- O parsed_1dsv 6
16 1 1 . . . . . . . . . 62 LYS+ N parsed_1dsv 6
16 1 2 . . . . . . . . . 58 CYS- O parsed_1dsv 6
17 1 1 . . . . . . . . . 76 ASP- HN parsed_1dsv 6
17 1 2 . . . . . . . . . 80 ASN O parsed_1dsv 6
18 1 1 . . . . . . . . . 76 ASP- N parsed_1dsv 6
18 1 2 . . . . . . . . . 80 ASN O parsed_1dsv 6
19 1 1 . . . . . . . . . 76 ASP- O parsed_1dsv 6
19 1 2 . . . . . . . . . 80 ASN HN parsed_1dsv 6
20 1 1 . . . . . . . . . 76 ASP- O parsed_1dsv 6
20 1 2 . . . . . . . . . 80 ASN N parsed_1dsv 6
21 1 1 . . . . . . . . . 74 LYS+ O parsed_1dsv 6
21 1 2 . . . . . . . . . 82 LEU HN parsed_1dsv 6
22 1 1 . . . . . . . . . 74 LYS+ O parsed_1dsv 6
22 1 2 . . . . . . . . . 82 LEU N parsed_1dsv 6
23 1 1 . . . . . . . . . 77 LYS+ HN parsed_1dsv 6
23 1 2 . . . . . . . . . 60 ARG+ O parsed_1dsv 6
24 1 1 . . . . . . . . . 77 LYS+ N parsed_1dsv 6
24 1 2 . . . . . . . . . 60 ARG+ O parsed_1dsv 6
25 1 1 . . . . . . . . . 79 GLY HN parsed_1dsv 6
25 1 2 . . . . . . . . . 76 ASP- O parsed_1dsv 6
26 1 1 . . . . . . . . . 79 GLY N parsed_1dsv 6
26 1 2 . . . . . . . . . 76 ASP- O parsed_1dsv 6
27 1 1 . . . . . . . . . 80 ASN HD21 parsed_1dsv 6
27 1 2 . . . . . . . . . 77 LYS+ O parsed_1dsv 6
28 1 1 . . . . . . . . . 80 ASN ND2 parsed_1dsv 6
28 1 2 . . . . . . . . . 77 LYS+ O parsed_1dsv 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_1dsv 6
2 1 . . . . . . 1.80 . parsed_1dsv 6
3 1 . . . . . . 2.70 . parsed_1dsv 6
4 1 . . . . . . 1.80 . parsed_1dsv 6
5 1 . . . . . . 2.25 . parsed_1dsv 6
6 1 . . . . . . 3.25 . parsed_1dsv 6
7 1 . . . . . . 3.25 . parsed_1dsv 6
8 1 . . . . . . 2.25 . parsed_1dsv 6
9 1 . . . . . . 3.25 . parsed_1dsv 6
10 1 . . . . . . 2.25 . parsed_1dsv 6
11 1 . . . . . . 3.25 . parsed_1dsv 6
12 1 . . . . . . 2.25 . parsed_1dsv 6
13 1 . . . . . . 2.70 . parsed_1dsv 6
14 1 . . . . . . 1.80 . parsed_1dsv 6
15 1 . . . . . . 1.80 . parsed_1dsv 6
16 1 . . . . . . 2.70 . parsed_1dsv 6
17 1 . . . . . . 1.80 . parsed_1dsv 6
18 1 . . . . . . 2.70 . parsed_1dsv 6
19 1 . . . . . . 1.80 . parsed_1dsv 6
20 1 . . . . . . 2.70 . parsed_1dsv 6
21 1 . . . . . . 1.80 . parsed_1dsv 6
22 1 . . . . . . 2.70 . parsed_1dsv 6
23 1 . . . . . . 1.80 . parsed_1dsv 6
24 1 . . . . . . 2.70 . parsed_1dsv 6
25 1 . . . . . . 1.80 . parsed_1dsv 6
26 1 . . . . . . 2.70 . parsed_1dsv 6
27 1 . . . . . . 1.80 . parsed_1dsv 6
28 1 . . . . . . 2.70 . parsed_1dsv 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 ADDED 28 1 28 6 parsed_1dsv 6
stop_
save_
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