NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
536616 |
2li2   |
17875 | cing | 2-parsed | STAR | entry | full | 84 |
data_2li2_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2li2
_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_2li2 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2li2
_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 2li2 "Master copy" parsed_2li2
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2li2
_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 2li2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2li2 1
1 2li2.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 7 parsed_2li2 1
1 2li2.mr . . XPLOR/CNS 3 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2li2 1
1 2li2.mr . . XPLOR/CNS 4 distance NOE simple 77 parsed_2li2 1
1 2li2.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2li2 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_2li2
_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 SUGAR BINDING PROTEIN 18-AUG-11 2LI2
*TITLE MONO-O-GALNAC GLYCOSYLATED MUCIN SEQUENCE BASED ON MUC2 MUCIN
*TITLE 2 GLYCOPROTEIN TANDEM REPEAT
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: MUC2 MUCIN DOMAIN PEPTIDE;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: SYNTHESIZED VIA SOLID PHASE PEPTIDE SYNTHESIS
*KEYWDS GLYCOSYLATION, TN ANTIGEN, SUGAR BINDING PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 77
*AUTHOR A.BORGERT, J.HEIMBURG-MOLINARO, Y.LASANAJAK, T.JU, M.LIU, P.THOMPSON,
*AUTHOR 2 G.RAGUPATHI, G.BARANY, R.CUMMINGS, D.SMITH, D.LIVE
*REVDAT 1 04-APR-12 2LI2 0
;
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2li2
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 10 . H2 . 10 . C2 . 10 . N2 . 10 . HN2 parsed_2li2 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 240.0 300.0 . . 3 . HA . 3 . CA . 3 . CB . 3 . HB parsed_2li2 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2li2 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2li2 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2li2 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2li2 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2li2 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2li2
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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_2li2 1
2 1 . . . parsed_2li2 1
3 1 . . . parsed_2li2 1
4 1 . . . parsed_2li2 1
5 1 . . . parsed_2li2 1
6 1 . . . parsed_2li2 1
7 1 . . . parsed_2li2 1
8 1 . . . parsed_2li2 1
9 1 . . . parsed_2li2 1
10 1 . . . parsed_2li2 1
11 1 . . . parsed_2li2 1
12 1 . . . parsed_2li2 1
13 1 . . . parsed_2li2 1
14 1 . . . parsed_2li2 1
15 1 . . . parsed_2li2 1
16 1 . . . parsed_2li2 1
17 1 . . . parsed_2li2 1
18 1 . . . parsed_2li2 1
19 1 . . . parsed_2li2 1
20 1 . . . parsed_2li2 1
21 1 . . . parsed_2li2 1
22 1 . . . parsed_2li2 1
23 1 . . . parsed_2li2 1
24 1 . . . parsed_2li2 1
25 1 . . . parsed_2li2 1
26 1 . . . parsed_2li2 1
27 1 . . . parsed_2li2 1
28 1 . . . parsed_2li2 1
29 1 . . . parsed_2li2 1
30 1 . . . parsed_2li2 1
31 1 . . . parsed_2li2 1
32 1 . . . parsed_2li2 1
33 1 . . . parsed_2li2 1
34 1 . . . parsed_2li2 1
35 1 . . . parsed_2li2 1
36 1 . . . parsed_2li2 1
37 1 . . . parsed_2li2 1
38 1 . . . parsed_2li2 1
39 1 . . . parsed_2li2 1
40 1 . . . parsed_2li2 1
41 1 . . . parsed_2li2 1
42 1 . . . parsed_2li2 1
43 1 . . . parsed_2li2 1
44 1 . . . parsed_2li2 1
45 1 . . . parsed_2li2 1
46 1 . . . parsed_2li2 1
47 1 . . . parsed_2li2 1
48 1 . . . parsed_2li2 1
49 1 . . . parsed_2li2 1
50 1 . . . parsed_2li2 1
51 1 . . . parsed_2li2 1
52 1 . . . parsed_2li2 1
53 1 . . . parsed_2li2 1
54 1 . . . parsed_2li2 1
55 1 . . . parsed_2li2 1
56 1 . . . parsed_2li2 1
57 1 . . . parsed_2li2 1
58 1 . . . parsed_2li2 1
59 1 . . . parsed_2li2 1
60 1 . . . parsed_2li2 1
61 1 . . . parsed_2li2 1
62 1 . . . parsed_2li2 1
63 1 . . . parsed_2li2 1
64 1 . . . parsed_2li2 1
65 1 . . . parsed_2li2 1
66 1 . . . parsed_2li2 1
67 1 . . . parsed_2li2 1
68 1 . . . parsed_2li2 1
69 1 . . . parsed_2li2 1
70 1 . . . parsed_2li2 1
71 1 . . . parsed_2li2 1
72 1 . . . parsed_2li2 1
73 1 . . . parsed_2li2 1
74 1 . . . parsed_2li2 1
75 1 . . . parsed_2li2 1
76 1 . . . parsed_2li2 1
77 1 . . . parsed_2li2 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 . . . . . . . . . 3 THR HG2# parsed_2li2 1
1 1 2 . . . . . . . . . 3 THR HA parsed_2li2 1
2 1 1 . . . . . . . . . 5 THR HG2# parsed_2li2 1
2 1 2 . . . . . . . . . 5 THR HA parsed_2li2 1
3 1 1 . . . . . . . . . 3 THR HG2# parsed_2li2 1
3 1 2 . . . . . . . . . 10 A2G H1 parsed_2li2 1
4 1 1 . . . . . . . . . 10 A2G H8# parsed_2li2 1
4 1 2 . . . . . . . . . 3 THR H parsed_2li2 1
5 1 1 . . . . . . . . . 4 THR H parsed_2li2 1
5 1 2 . . . . . . . . . 3 THR H parsed_2li2 1
6 1 1 . . . . . . . . . 10 A2G HN2 parsed_2li2 1
6 1 2 . . . . . . . . . 3 THR H parsed_2li2 1
7 1 1 . . . . . . . . . 4 THR H parsed_2li2 1
7 1 2 . . . . . . . . . 5 THR H parsed_2li2 1
8 1 1 . . . . . . . . . 8 LYS H parsed_2li2 1
8 1 2 . . . . . . . . . 7 LEU H parsed_2li2 1
9 1 1 . . . . . . . . . 3 THR HA parsed_2li2 1
9 1 2 . . . . . . . . . 3 THR H parsed_2li2 1
10 1 1 . . . . . . . . . 4 THR HA parsed_2li2 1
10 1 2 . . . . . . . . . 4 THR H parsed_2li2 1
11 1 1 . . . . . . . . . 10 A2G H2 parsed_2li2 1
11 1 2 . . . . . . . . . 10 A2G HN2 parsed_2li2 1
12 1 1 . . . . . . . . . 10 A2G H1 parsed_2li2 1
12 1 2 . . . . . . . . . 10 A2G HN2 parsed_2li2 1
13 1 1 . . . . . . . . . 3 THR HA parsed_2li2 1
13 1 2 . . . . . . . . . 4 THR H parsed_2li2 1
14 1 1 . . . . . . . . . 5 THR HA parsed_2li2 1
14 1 2 . . . . . . . . . 5 THR H parsed_2li2 1
15 1 1 . . . . . . . . . 2 PRO HA parsed_2li2 1
15 1 2 . . . . . . . . . 3 THR H parsed_2li2 1
16 1 1 . . . . . . . . . 4 THR HA parsed_2li2 1
16 1 2 . . . . . . . . . 5 THR H parsed_2li2 1
17 1 1 . . . . . . . . . 6 PRO HA parsed_2li2 1
17 1 2 . . . . . . . . . 7 LEU H parsed_2li2 1
18 1 1 . . . . . . . . . 3 THR HB parsed_2li2 1
18 1 2 . . . . . . . . . 4 THR H parsed_2li2 1
19 1 1 . . . . . . . . . 7 LEU HA parsed_2li2 1
19 1 2 . . . . . . . . . 7 LEU H parsed_2li2 1
20 1 1 . . . . . . . . . 7 . HA parsed_2li2 1
20 1 1 . . . . . . . . . 8 . HA parsed_2li2 1
20 1 2 . . . . . . . . . 8 LYS H parsed_2li2 1
21 1 1 . . . . . . . . . 4 THR HB parsed_2li2 1
21 1 2 . . . . . . . . . 4 THR H parsed_2li2 1
22 1 1 . . . . . . . . . 4 THR HB parsed_2li2 1
22 1 2 . . . . . . . . . 5 THR H parsed_2li2 1
23 1 1 . . . . . . . . . 5 THR HB parsed_2li2 1
23 1 2 . . . . . . . . . 5 THR H parsed_2li2 1
24 1 1 . . . . . . . . . 10 A2G H3 parsed_2li2 1
24 1 2 . . . . . . . . . 10 A2G HN2 parsed_2li2 1
25 1 1 . . . . . . . . . 8 LYS HB3 parsed_2li2 1
25 1 2 . . . . . . . . . 8 LYS H parsed_2li2 1
26 1 1 . . . . . . . . . 7 . HB2 parsed_2li2 1
26 1 1 . . . . . . . . . 7 . HG parsed_2li2 1
26 1 2 . . . . . . . . . 7 LEU H parsed_2li2 1
27 1 1 . . . . . . . . . 3 THR HG2# parsed_2li2 1
27 1 2 . . . . . . . . . 3 THR H parsed_2li2 1
28 1 1 . . . . . . . . . 3 THR HG2# parsed_2li2 1
28 1 2 . . . . . . . . . 4 THR H parsed_2li2 1
29 1 1 . . . . . . . . . 5 THR HG2# parsed_2li2 1
29 1 2 . . . . . . . . . 5 THR H parsed_2li2 1
30 1 1 . . . . . . . . . 4 THR HG2# parsed_2li2 1
30 1 2 . . . . . . . . . 4 THR H parsed_2li2 1
31 1 1 . . . . . . . . . 4 THR HG2# parsed_2li2 1
31 1 2 . . . . . . . . . 5 THR H parsed_2li2 1
32 1 1 . . . . . . . . . 10 A2G H8# parsed_2li2 1
32 1 2 . . . . . . . . . 5 THR H parsed_2li2 1
33 1 1 . . . . . . . . . 10 A2G H8# parsed_2li2 1
33 1 2 . . . . . . . . . 10 A2G HN2 parsed_2li2 1
34 1 1 . . . . . . . . . 10 A2G H1 parsed_2li2 1
34 1 2 . . . . . . . . . 3 THR HB parsed_2li2 1
35 1 1 . . . . . . . . . 10 A2G H1 parsed_2li2 1
35 1 2 . . . . . . . . . 10 A2G H2 parsed_2li2 1
36 1 1 . . . . . . . . . 10 A2G H1 parsed_2li2 1
36 1 2 . . . . . . . . . 10 A2G H5 parsed_2li2 1
37 1 1 . . . . . . . . . 10 A2G H1 parsed_2li2 1
37 1 2 . . . . . . . . . 10 A2G H3 parsed_2li2 1
38 1 1 . . . . . . . . . 3 THR HA parsed_2li2 1
38 1 2 . . . . . . . . . 3 THR HB parsed_2li2 1
39 1 1 . . . . . . . . . 5 THR HA parsed_2li2 1
39 1 2 . . . . . . . . . 5 THR HB parsed_2li2 1
40 1 1 . . . . . . . . . 4 THR HA parsed_2li2 1
40 1 2 . . . . . . . . . 4 THR HB parsed_2li2 1
41 1 1 . . . . . . . . . 5 THR HA parsed_2li2 1
41 1 2 . . . . . . . . . 6 PRO HD2 parsed_2li2 1
42 1 1 . . . . . . . . . 5 THR HA parsed_2li2 1
42 1 2 . . . . . . . . . 6 PRO HD3 parsed_2li2 1
43 1 1 . . . . . . . . . 2 PRO HA parsed_2li2 1
43 1 2 . . . . . . . . . 2 PRO HB2 parsed_2li2 1
44 1 1 . . . . . . . . . 6 PRO HA parsed_2li2 1
44 1 2 . . . . . . . . . 6 PRO HB2 parsed_2li2 1
45 1 1 . . . . . . . . . 6 PRO HD2 parsed_2li2 1
45 1 2 . . . . . . . . . 6 PRO HB2 parsed_2li2 1
46 1 1 . . . . . . . . . 2 PRO HD# parsed_2li2 1
46 1 2 . . . . . . . . . 2 PRO HB2 parsed_2li2 1
47 1 1 . . . . . . . . . 6 PRO HA parsed_2li2 1
47 1 2 . . . . . . . . . 6 PRO HB3 parsed_2li2 1
48 1 1 . . . . . . . . . 8 LYS HA parsed_2li2 1
48 1 2 . . . . . . . . . 8 LYS HB3 parsed_2li2 1
49 1 1 . . . . . . . . . 2 PRO HD# parsed_2li2 1
49 1 2 . . . . . . . . . 2 PRO HB3 parsed_2li2 1
50 1 1 . . . . . . . . . 7 LEU HA parsed_2li2 1
50 1 2 . . . . . . . . . 7 LEU HB3 parsed_2li2 1
51 1 1 . . . . . . . . . 2 PRO HA parsed_2li2 1
51 1 2 . . . . . . . . . 2 PRO HB3 parsed_2li2 1
52 1 1 . . . . . . . . . 4 THR HG2# parsed_2li2 1
52 1 2 . . . . . . . . . 4 THR HB parsed_2li2 1
53 1 1 . . . . . . . . . 7 LEU HG parsed_2li2 1
53 1 2 . . . . . . . . . 7 LEU HA parsed_2li2 1
54 1 1 . . . . . . . . . 7 LEU HB2 parsed_2li2 1
54 1 2 . . . . . . . . . 7 LEU HA parsed_2li2 1
55 1 1 . . . . . . . . . 3 THR HG2# parsed_2li2 1
55 1 2 . . . . . . . . . 3 THR HB parsed_2li2 1
56 1 1 . . . . . . . . . 4 THR HG2# parsed_2li2 1
56 1 2 . . . . . . . . . 4 THR HA parsed_2li2 1
57 1 1 . . . . . . . . . 6 PRO HB2 parsed_2li2 1
57 1 2 . . . . . . . . . 6 PRO HG2 parsed_2li2 1
58 1 1 . . . . . . . . . 2 PRO HB2 parsed_2li2 1
58 1 2 . . . . . . . . . 2 PRO HG# parsed_2li2 1
59 1 1 . . . . . . . . . 2 PRO HG# parsed_2li2 1
59 1 2 . . . . . . . . . 2 PRO HD# parsed_2li2 1
60 1 1 . . . . . . . . . 2 PRO HB3 parsed_2li2 1
60 1 2 . . . . . . . . . 2 PRO HG# parsed_2li2 1
61 1 1 . . . . . . . . . 6 PRO HG# parsed_2li2 1
61 1 2 . . . . . . . . . 6 PRO HD2 parsed_2li2 1
62 1 1 . . . . . . . . . 10 A2G H8# parsed_2li2 1
62 1 2 . . . . . . . . . 10 A2G H3 parsed_2li2 1
63 1 1 . . . . . . . . . 6 PRO HG# parsed_2li2 1
63 1 2 . . . . . . . . . 6 PRO HD3 parsed_2li2 1
64 1 1 . . . . . . . . . 3 THR HG2# parsed_2li2 1
64 1 2 . . . . . . . . . 10 A2G H5 parsed_2li2 1
65 1 1 . . . . . . . . . 5 THR HG2# parsed_2li2 1
65 1 2 . . . . . . . . . 5 THR HB parsed_2li2 1
66 1 1 . . . . . . . . . 8 LYS HD# parsed_2li2 1
66 1 2 . . . . . . . . . 8 LYS HE# parsed_2li2 1
67 1 1 . . . . . . . . . 6 PRO HG# parsed_2li2 1
67 1 2 . . . . . . . . . 6 PRO HB2 parsed_2li2 1
68 1 1 . . . . . . . . . 6 PRO HB3 parsed_2li2 1
68 1 2 . . . . . . . . . 6 PRO HB2 parsed_2li2 1
69 1 1 . . . . . . . . . 8 LYS HB3 parsed_2li2 1
69 1 2 . . . . . . . . . 8 LYS HB2 parsed_2li2 1
70 1 1 . . . . . . . . . 6 PRO HG# parsed_2li2 1
70 1 2 . . . . . . . . . 6 PRO HB3 parsed_2li2 1
71 1 1 . . . . . . . . . 7 LEU HB3 parsed_2li2 1
71 1 2 . . . . . . . . . 7 LEU HG parsed_2li2 1
72 1 1 . . . . . . . . . 7 LEU HB3 parsed_2li2 1
72 1 2 . . . . . . . . . 7 LEU HB2 parsed_2li2 1
73 1 1 . . . . . . . . . 8 LYS HB2 parsed_2li2 1
73 1 2 . . . . . . . . . 8 LYS HG2 parsed_2li2 1
74 1 1 . . . . . . . . . 8 LYS HD# parsed_2li2 1
74 1 2 . . . . . . . . . 8 LYS HG2 parsed_2li2 1
75 1 1 . . . . . . . . . 8 LYS HD# parsed_2li2 1
75 1 2 . . . . . . . . . 8 LYS HG3 parsed_2li2 1
76 1 1 . . . . . . . . . 7 LEU HD2# parsed_2li2 1
76 1 2 . . . . . . . . . 7 LEU HG parsed_2li2 1
77 1 1 . . . . . . . . . 7 LEU HD1# parsed_2li2 1
77 1 2 . . . . . . . . . 7 LEU HG parsed_2li2 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 . . . . . 3.40 1.80 5.00 parsed_2li2 1
2 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
3 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
4 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
5 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
6 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
7 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
8 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
9 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
10 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
11 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
12 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
13 1 . . . . . 2.90 1.80 4.00 parsed_2li2 1
14 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
15 1 . . . . . 2.40 1.80 3.00 parsed_2li2 1
16 1 . . . . . 2.40 1.80 3.00 parsed_2li2 1
17 1 . . . . . 2.40 1.80 3.00 parsed_2li2 1
18 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
19 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
20 1 . . . . . 2.90 1.80 4.00 parsed_2li2 1
21 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
22 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
23 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
24 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
25 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
26 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
27 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
28 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
29 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
30 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
31 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
32 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
33 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
34 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
35 1 . . . . . 2.40 1.80 3.00 parsed_2li2 1
36 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
37 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
38 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
39 1 . . . . . 2.90 1.80 4.00 parsed_2li2 1
40 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
41 1 . . . . . 2.40 1.80 3.00 parsed_2li2 1
42 1 . . . . . 2.40 1.80 3.00 parsed_2li2 1
43 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
44 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
45 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
46 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
47 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
48 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
49 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
50 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
51 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
52 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
53 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
54 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
55 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
56 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
57 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
58 1 . . . . . 2.90 1.80 4.00 parsed_2li2 1
59 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
60 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
61 1 . . . . . 2.90 1.80 4.00 parsed_2li2 1
62 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
63 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
64 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
65 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
66 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
67 1 . . . . . 2.90 1.80 4.00 parsed_2li2 1
68 1 . . . . . 2.40 1.80 3.00 parsed_2li2 1
69 1 . . . . . 2.40 1.80 3.00 parsed_2li2 1
70 1 . . . . . 2.40 1.80 3.00 parsed_2li2 1
71 1 . . . . . 2.40 1.80 3.00 parsed_2li2 1
72 1 . . . . . 2.40 1.80 3.00 parsed_2li2 1
73 1 . . . . . 2.90 1.80 4.00 parsed_2li2 1
74 1 . . . . . 2.90 1.80 4.00 parsed_2li2 1
75 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
76 1 . . . . . 3.40 1.80 5.00 parsed_2li2 1
77 1 . . . . . 3.40 1.80 5.00 parsed_2li2 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 W 2 59 2 62 parsed_2li2 1
2 W 4 59 4 62 parsed_2li2 1
3
;
W
^^^^^ added for run 9
;
6 59 8 23 parsed_2li2 1
4
;
W
^^^^^added for run 8
;
10 59 11 22 parsed_2li2 1
5 W 13 59 13 62 parsed_2li2 1
6 W 15 59 15 62 parsed_2li2 1
7 W 17 59 17 62 parsed_2li2 1
8 W 19 59 19 62 parsed_2li2 1
9 W 21 59 21 62 parsed_2li2 1
10 W 23 59 23 62 parsed_2li2 1
11 W 25 59 25 62 parsed_2li2 1
12 W 27 59 27 62 parsed_2li2 1
13 M 29 59 29 62 parsed_2li2 1
14 W 31 59 31 62 parsed_2li2 1
15 S 33 59 33 62 parsed_2li2 1
16 S 35 59 35 62 parsed_2li2 1
17 S 37 59 37 62 parsed_2li2 1
18 W 39 59 39 62 parsed_2li2 1
19 W 41 59 41 62 parsed_2li2 1
20 M 43 59 43 62 parsed_2li2 1
21 W 45 59 45 62 parsed_2li2 1
22 W 47 59 47 62 parsed_2li2 1
23 W 49 59 49 62 parsed_2li2 1
24 W 51 59 51 62 parsed_2li2 1
25 W 53 59 53 62 parsed_2li2 1
26 W 55 59 55 62 parsed_2li2 1
27 W 57 59 57 62 parsed_2li2 1
28 W 59 59 59 62 parsed_2li2 1
29 W 61 59 61 62 parsed_2li2 1
30 W 63 59 63 62 parsed_2li2 1
31 W 65 59 65 62 parsed_2li2 1
32 W 67 59 67 62 parsed_2li2 1
33 W 69 59 69 62 parsed_2li2 1
34 W 71 59 71 62 parsed_2li2 1
35 S 73 59 73 62 parsed_2li2 1
36 W 75 59 75 62 parsed_2li2 1
37 W 77 59 77 62 parsed_2li2 1
38 W 79 59 79 62 parsed_2li2 1
39 M 81 59 81 62 parsed_2li2 1
40 W 83 59 83 62 parsed_2li2 1
41 S 85 59 85 62 parsed_2li2 1
42 S 87 59 87 62 parsed_2li2 1
43 W 89 59 89 62 parsed_2li2 1
44 W 91 59 91 62 parsed_2li2 1
45 W 93 59 93 62 parsed_2li2 1
46 W 95 59 95 62 parsed_2li2 1
47 W 97 59 97 62 parsed_2li2 1
48 W 99 59 99 62 parsed_2li2 1
49 W 101 59 101 62 parsed_2li2 1
50 W 103 59 103 62 parsed_2li2 1
51 W 105 59 105 62 parsed_2li2 1
52 W 107 59 107 62 parsed_2li2 1
53 W 109 59 109 62 parsed_2li2 1
54 W 111 59 111 62 parsed_2li2 1
55 W 113 59 113 62 parsed_2li2 1
56 W 115 59 115 62 parsed_2li2 1
57 W 117 59 117 62 parsed_2li2 1
58 M 119 59 119 62 parsed_2li2 1
59 W 121 59 121 62 parsed_2li2 1
60 W 123 59 123 62 parsed_2li2 1
61 M 125 59 125 62 parsed_2li2 1
62 W 127 59 127 62 parsed_2li2 1
63 W 129 59 129 62 parsed_2li2 1
64 W 131 59 131 62 parsed_2li2 1
65 W 133 59 133 62 parsed_2li2 1
66 W 135 59 135 62 parsed_2li2 1
67 M 137 59 137 62 parsed_2li2 1
68 S 139 59 139 62 parsed_2li2 1
69 S 141 59 141 62 parsed_2li2 1
70 S 143 59 143 62 parsed_2li2 1
71 S 145 59 145 62 parsed_2li2 1
72 S 147 59 147 62 parsed_2li2 1
73 M 149 59 149 62 parsed_2li2 1
74 M 151 59 151 62 parsed_2li2 1
75 W 153 59 153 62 parsed_2li2 1
76 W 155 59 155 62 parsed_2li2 1
77 W 157 59 157 62 parsed_2li2 1
stop_
save_
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