NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
511906 |
2yhh   |
17625 | cing | 2-parsed | STAR | entry | full | 366 |
data_2yhh_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2yhh
_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_2yhh 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2yhh
_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 2yhh "Master copy" parsed_2yhh
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2yhh
_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 2yhh.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2yhh 1
1 2yhh.mr . . XPLOR/CNS 2 distance NOE simple 119 parsed_2yhh 1
1 2yhh.mr . . XPLOR/CNS 3 distance NOE ambi 173 parsed_2yhh 1
1 2yhh.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 5 parsed_2yhh 1
1 2yhh.mr . . XPLOR/CNS 5 distance NOE ambi 8 parsed_2yhh 1
1 2yhh.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 61 parsed_2yhh 1
1 2yhh.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2yhh 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_2yhh
_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 02-MAY-11 2YHH
*TITLE MICROVIRIN:MANNOBIOSE COMPLEX
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: MANNAN-BINDING LECTIN;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: MICROVIRIN, MVN PROTEIN;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: MICROCYSTIS AERUGINOSA;
*SOURCE 3 ORGANISM_TAXID: 1126;
*SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008;
*SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET
*KEYWDS SUGAR BINDING PROTEIN, CYANOVIRIN FAMILY, CELL-CELL ATTACHMENT, ANTI-
*KEYWDS 2 HIV PROTEIN
*EXPDTA SOLUTION NMR
*AUTHOR S.HUSSAN,C.A.BEWLEY,G.M.CLORE,E.GUSTCHINA,R.GHIRLANDO
*REVDAT 1 03-MAY-11 2YHH 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2yhh
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_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_2yhh 1
2 1 . . . parsed_2yhh 1
3 1 . . . parsed_2yhh 1
4 1 . . . parsed_2yhh 1
5 1 . . . parsed_2yhh 1
6 1 . . . parsed_2yhh 1
7 1 . . . parsed_2yhh 1
8 1 . . . parsed_2yhh 1
9 1 . . . parsed_2yhh 1
10 1 . . . parsed_2yhh 1
11 1 . . . parsed_2yhh 1
12 1 . . . parsed_2yhh 1
13 1 . . . parsed_2yhh 1
14 1 . . . parsed_2yhh 1
15 1 . . . parsed_2yhh 1
16 1 . . . parsed_2yhh 1
17 1 . . . parsed_2yhh 1
18 1 . . . parsed_2yhh 1
19 1 . . . parsed_2yhh 1
20 1 . . . parsed_2yhh 1
21 1 . . . parsed_2yhh 1
22 1 . . . parsed_2yhh 1
23 1 . . . parsed_2yhh 1
24 1 . . . parsed_2yhh 1
25 1 . . . parsed_2yhh 1
26 1 . . . parsed_2yhh 1
27 1 . . . parsed_2yhh 1
28 1 . . . parsed_2yhh 1
29 1 . . . parsed_2yhh 1
30 1 . . . parsed_2yhh 1
31 1 . . . parsed_2yhh 1
32 1 . . . parsed_2yhh 1
33 1 . . . parsed_2yhh 1
34 1 . . . parsed_2yhh 1
35 1 . . . parsed_2yhh 1
36 1 . . . parsed_2yhh 1
37 1 . . . parsed_2yhh 1
38 1 . . . parsed_2yhh 1
39 1 . . . parsed_2yhh 1
40 1 . . . parsed_2yhh 1
41 1 . . . parsed_2yhh 1
42 1 . . . parsed_2yhh 1
43 1 . . . parsed_2yhh 1
44 1 . . . parsed_2yhh 1
45 1 . . . parsed_2yhh 1
46 1 . . . parsed_2yhh 1
47 1 . . . parsed_2yhh 1
48 1 . . . parsed_2yhh 1
49 1 . . . parsed_2yhh 1
50 1 . . . parsed_2yhh 1
51 1 . . . parsed_2yhh 1
52 1 . . . parsed_2yhh 1
53 1 . . . parsed_2yhh 1
54 1 . . . parsed_2yhh 1
55 1 . . . parsed_2yhh 1
56 1 . . . parsed_2yhh 1
57 1 . . . parsed_2yhh 1
58 1 . . . parsed_2yhh 1
59 1 . . . parsed_2yhh 1
60 1 . . . parsed_2yhh 1
61 1 . . . parsed_2yhh 1
62 1 . . . parsed_2yhh 1
63 1 . . . parsed_2yhh 1
64 1 . . . parsed_2yhh 1
65 1 . . . parsed_2yhh 1
66 1 . . . parsed_2yhh 1
67 1 . . . parsed_2yhh 1
68 1 . . . parsed_2yhh 1
69 1 . . . parsed_2yhh 1
70 1 . . . parsed_2yhh 1
71 1 . . . parsed_2yhh 1
72 1 . . . parsed_2yhh 1
73 1 . . . parsed_2yhh 1
74 1 . . . parsed_2yhh 1
75 1 . . . parsed_2yhh 1
76 1 . . . parsed_2yhh 1
77 1 . . . parsed_2yhh 1
78 1 . . . parsed_2yhh 1
79 1 . . . parsed_2yhh 1
80 1 . . . parsed_2yhh 1
81 1 . . . parsed_2yhh 1
82 1 . . . parsed_2yhh 1
83 1 . . . parsed_2yhh 1
84 1 . . . parsed_2yhh 1
85 1 . . . parsed_2yhh 1
86 1 . . . parsed_2yhh 1
87 1 . . . parsed_2yhh 1
88 1 . . . parsed_2yhh 1
89 1 . . . parsed_2yhh 1
90 1 . . . parsed_2yhh 1
91 1 . . . parsed_2yhh 1
92 1 . . . parsed_2yhh 1
93 1 . . . parsed_2yhh 1
94 1 . . . parsed_2yhh 1
95 1 . . . parsed_2yhh 1
96 1 . . . parsed_2yhh 1
97 1 . . . parsed_2yhh 1
98 1 . . . parsed_2yhh 1
99 1 . . . parsed_2yhh 1
100 1 . . . parsed_2yhh 1
101 1 . . . parsed_2yhh 1
102 1 . . . parsed_2yhh 1
103 1 . . . parsed_2yhh 1
104 1 . . . parsed_2yhh 1
105 1 . . . parsed_2yhh 1
106 1 . . . parsed_2yhh 1
107 1 . . . parsed_2yhh 1
108 1 . . . parsed_2yhh 1
109 1 . . . parsed_2yhh 1
110 1 . . . parsed_2yhh 1
111 1 . . . parsed_2yhh 1
112 1 . . . parsed_2yhh 1
113 1 . . . parsed_2yhh 1
114 1 . . . parsed_2yhh 1
115 1 . . . parsed_2yhh 1
116 1 . . . parsed_2yhh 1
117 1 . . . parsed_2yhh 1
118 1 . . . parsed_2yhh 1
119 1 . . . parsed_2yhh 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 . . . . . . . . . 18 . HG2# parsed_2yhh 1
1 1 2 . . . . . . . . . 57 . HG# parsed_2yhh 1
2 1 1 . . . . . . . . . 18 . HG2# parsed_2yhh 1
2 1 2 . . . . . . . . . 57 . HN parsed_2yhh 1
3 1 1 . . . . . . . . . 18 . HG2# parsed_2yhh 1
3 1 2 . . . . . . . . . 57 . HE2# parsed_2yhh 1
4 1 1 . . . . . . . . . 39 . HB# parsed_2yhh 1
4 1 2 . . . . . . . . . 55 . HA parsed_2yhh 1
5 1 1 . . . . . . . . . 39 . HB# parsed_2yhh 1
5 1 2 . . . . . . . . . 55 . HN parsed_2yhh 1
6 1 1 . . . . . . . . . 39 . HA parsed_2yhh 1
6 1 2 . . . . . . . . . 55 . HA parsed_2yhh 1
7 1 1 . . . . . . . . . 39 . HA parsed_2yhh 1
7 1 2 . . . . . . . . . 56 . HE# parsed_2yhh 1
8 1 1 . . . . . . . . . 39 . HA parsed_2yhh 1
8 1 2 . . . . . . . . . 56 . HD# parsed_2yhh 1
9 1 1 . . . . . . . . . 39 . HB# parsed_2yhh 1
9 1 2 . . . . . . . . . 57 . HE2# parsed_2yhh 1
10 1 1 . . . . . . . . . 39 . HA parsed_2yhh 1
10 1 2 . . . . . . . . . 57 . HE2# parsed_2yhh 1
11 1 1 . . . . . . . . . 41 . HD2 parsed_2yhh 1
11 1 2 . . . . . . . . . 52 . HA# parsed_2yhh 1
12 1 1 . . . . . . . . . 42 . HB parsed_2yhh 1
12 1 2 . . . . . . . . . 56 . HD# parsed_2yhh 1
13 1 1 . . . . . . . . . 42 . HB parsed_2yhh 1
13 1 2 . . . . . . . . . 56 . HB# parsed_2yhh 1
14 1 1 . . . . . . . . . 42 . HG2# parsed_2yhh 1
14 1 2 . . . . . . . . . 56 . HB# parsed_2yhh 1
15 1 1 . . . . . . . . . 43 . HA# parsed_2yhh 1
15 1 2 . . . . . . . . . 53 . HB# parsed_2yhh 1
16 1 1 . . . . . . . . . 43 . HA# parsed_2yhh 1
16 1 2 . . . . . . . . . 53 . HB# parsed_2yhh 1
17 1 1 . . . . . . . . . 43 . HN parsed_2yhh 1
17 1 2 . . . . . . . . . 53 . HB# parsed_2yhh 1
18 1 1 . . . . . . . . . 43 . HA# parsed_2yhh 1
18 1 2 . . . . . . . . . 54 . HN parsed_2yhh 1
19 1 1 . . . . . . . . . 43 . HA# parsed_2yhh 1
19 1 2 . . . . . . . . . 56 . HB# parsed_2yhh 1
20 1 1 . . . . . . . . . 43 . HA# parsed_2yhh 1
20 1 2 . . . . . . . . . 56 . HN parsed_2yhh 1
21 1 1 . . . . . . . . . 43 . HA# parsed_2yhh 1
21 1 2 . . . . . . . . . 56 . HA parsed_2yhh 1
22 1 1 . . . . . . . . . 44 . HA parsed_2yhh 1
22 1 2 . . . . . . . . . 49 . HA parsed_2yhh 1
23 1 1 . . . . . . . . . 44 . HN parsed_2yhh 1
23 1 2 . . . . . . . . . 56 . HA parsed_2yhh 1
24 1 1 . . . . . . . . . 44 . HD2# parsed_2yhh 1
24 1 2 . . . . . . . . . 80 . HB# parsed_2yhh 1
25 1 1 . . . . . . . . . 45 . HD1# parsed_2yhh 1
25 1 2 . . . . . . . . . 45 . HA parsed_2yhh 1
26 1 1 . . . . . . . . . 45 . HD1# parsed_2yhh 1
26 1 2 . . . . . . . . . 45 . HB parsed_2yhh 1
27 1 1 . . . . . . . . . 45 . HD1# parsed_2yhh 1
27 1 2 . . . . . . . . . 45 . HN parsed_2yhh 1
28 1 1 . . . . . . . . . 45 . HG1# parsed_2yhh 1
28 1 2 . . . . . . . . . 45 . HN parsed_2yhh 1
29 1 1 . . . . . . . . . 45 . HG1# parsed_2yhh 1
29 1 2 . . . . . . . . . 45 . HA parsed_2yhh 1
30 1 1 . . . . . . . . . 45 . HG2# parsed_2yhh 1
30 1 2 . . . . . . . . . 45 . HA parsed_2yhh 1
31 1 1 . . . . . . . . . 45 . HG2# parsed_2yhh 1
31 1 2 . . . . . . . . . 45 . HN parsed_2yhh 1
32 1 1 . . . . . . . . . 45 . HB parsed_2yhh 1
32 1 2 . . . . . . . . . 45 . HN parsed_2yhh 1
33 1 1 . . . . . . . . . 45 . HG2# parsed_2yhh 1
33 1 2 . . . . . . . . . 46 . HB# parsed_2yhh 1
34 1 1 . . . . . . . . . 45 . HD1# parsed_2yhh 1
34 1 2 . . . . . . . . . 50 . HB# parsed_2yhh 1
35 1 1 . . . . . . . . . 45 . HG1# parsed_2yhh 1
35 1 2 . . . . . . . . . 50 . HG# parsed_2yhh 1
36 1 1 . . . . . . . . . 45 . HG1# parsed_2yhh 1
36 1 2 . . . . . . . . . 50 . HB# parsed_2yhh 1
37 1 1 . . . . . . . . . 45 . HD1# parsed_2yhh 1
37 1 2 . . . . . . . . . 50 . HG# parsed_2yhh 1
38 1 1 . . . . . . . . . 45 . HD1# parsed_2yhh 1
38 1 2 . . . . . . . . . 50 . HE2# parsed_2yhh 1
39 1 1 . . . . . . . . . 46 . HB# parsed_2yhh 1
39 1 2 . . . . . . . . . 46 . HN parsed_2yhh 1
40 1 1 . . . . . . . . . 46 . HA parsed_2yhh 1
40 1 2 . . . . . . . . . 47 . HN parsed_2yhh 1
41 1 1 . . . . . . . . . 46 . HA parsed_2yhh 1
41 1 2 . . . . . . . . . 47 . HA# parsed_2yhh 1
42 1 1 . . . . . . . . . 46 . HB# parsed_2yhh 1
42 1 2 . . . . . . . . . 83 . HG# parsed_2yhh 1
43 1 1 . . . . . . . . . 46 . HA parsed_2yhh 1
43 1 2 . . . . . . . . . 83 . HG# parsed_2yhh 1
44 1 1 . . . . . . . . . 46 . HA parsed_2yhh 1
44 1 2 . . . . . . . . . 83 . HN parsed_2yhh 1
45 1 1 . . . . . . . . . 46 . HA parsed_2yhh 1
45 1 2 . . . . . . . . . 83 . HE# parsed_2yhh 1
46 1 1 . . . . . . . . . 47 . HA# parsed_2yhh 1
46 1 2 . . . . . . . . . 48 . HN parsed_2yhh 1
47 1 1 . . . . . . . . . 47 . HA# parsed_2yhh 1
47 1 2 . . . . . . . . . 80 . HB# parsed_2yhh 1
48 1 1 . . . . . . . . . 47 . HA# parsed_2yhh 1
48 1 2 . . . . . . . . . 82 . HA parsed_2yhh 1
49 1 1 . . . . . . . . . 47 . HA# parsed_2yhh 1
49 1 2 . . . . . . . . . 82 . HG2# parsed_2yhh 1
50 1 1 . . . . . . . . . 47 . HN parsed_2yhh 1
50 1 2 . . . . . . . . . 82 . HA parsed_2yhh 1
51 1 1 . . . . . . . . . 48 . HB# parsed_2yhh 1
51 1 2 . . . . . . . . . 48 . HN parsed_2yhh 1
52 1 1 . . . . . . . . . 48 . HG# parsed_2yhh 1
52 1 2 . . . . . . . . . 48 . HA parsed_2yhh 1
53 1 1 . . . . . . . . . 48 . HB# parsed_2yhh 1
53 1 2 . . . . . . . . . 49 . HN parsed_2yhh 1
54 1 1 . . . . . . . . . 49 . HD* parsed_2yhh 1
54 1 2 . . . . . . . . . 56 . HA parsed_2yhh 1
55 1 1 . . . . . . . . . 49 . HD* parsed_2yhh 1
55 1 2 . . . . . . . . . 56 . HD# parsed_2yhh 1
56 1 1 . . . . . . . . . 49 . HD* parsed_2yhh 1
56 1 2 . . . . . . . . . 56 . HB# parsed_2yhh 1
57 1 1 . . . . . . . . . 53 . HB# parsed_2yhh 1
57 1 2 . . . . . . . . . 53 . HN parsed_2yhh 1
58 1 1 . . . . . . . . . 53 . HA parsed_2yhh 1
58 1 2 . . . . . . . . . 54 . HN parsed_2yhh 1
59 1 1 . . . . . . . . . 53 . HB# parsed_2yhh 1
59 1 2 . . . . . . . . . 54 . HN parsed_2yhh 1
60 1 1 . . . . . . . . . 54 . HG# parsed_2yhh 1
60 1 2 . . . . . . . . . 54 . HA parsed_2yhh 1
61 1 1 . . . . . . . . . 55 . HB# parsed_2yhh 1
61 1 2 . . . . . . . . . 55 . HD2# parsed_2yhh 1
62 1 1 . . . . . . . . . 55 . HA parsed_2yhh 1
62 1 2 . . . . . . . . . 56 . HN parsed_2yhh 1
63 1 1 . . . . . . . . . 55 . HB# parsed_2yhh 1
63 1 2 . . . . . . . . . 58 . HB# parsed_2yhh 1
64 1 1 . . . . . . . . . 55 . HB# parsed_2yhh 1
64 1 2 . . . . . . . . . 58 . HG# parsed_2yhh 1
65 1 1 . . . . . . . . . 55 . HB# parsed_2yhh 1
65 1 2 . . . . . . . . . 57 . HE2# parsed_2yhh 1
66 1 1 . . . . . . . . . 56 . HB# parsed_2yhh 1
66 1 2 . . . . . . . . . 56 . HN parsed_2yhh 1
67 1 1 . . . . . . . . . 56 . HA parsed_2yhh 1
67 1 2 . . . . . . . . . 57 . HN parsed_2yhh 1
68 1 1 . . . . . . . . . 57 . HB# parsed_2yhh 1
68 1 2 . . . . . . . . . 57 . HN parsed_2yhh 1
69 1 1 . . . . . . . . . 57 . HA parsed_2yhh 1
69 1 2 . . . . . . . . . 57 . HG# parsed_2yhh 1
70 1 1 . . . . . . . . . 57 . HA parsed_2yhh 1
70 1 2 . . . . . . . . . 58 . HN parsed_2yhh 1
71 1 1 . . . . . . . . . 57 . HA parsed_2yhh 1
71 1 2 . . . . . . . . . 60 . HB# parsed_2yhh 1
72 1 1 . . . . . . . . . 57 . HA parsed_2yhh 1
72 1 2 . . . . . . . . . 60 . HN parsed_2yhh 1
73 1 1 . . . . . . . . . 57 . HE2# parsed_2yhh 1
73 1 2 . . . . . . . . . 58 . HG# parsed_2yhh 1
74 1 1 . . . . . . . . . 58 . HB# parsed_2yhh 1
74 1 2 . . . . . . . . . 58 . HN parsed_2yhh 1
75 1 1 . . . . . . . . . 58 . HA parsed_2yhh 1
75 1 2 . . . . . . . . . 58 . HG# parsed_2yhh 1
76 1 1 . . . . . . . . . 58 . HG# parsed_2yhh 1
76 1 2 . . . . . . . . . 58 . HN parsed_2yhh 1
77 1 1 . . . . . . . . . 58 . HB# parsed_2yhh 1
77 1 2 . . . . . . . . . 59 . HG2# parsed_2yhh 1
78 1 1 . . . . . . . . . 58 . HB# parsed_2yhh 1
78 1 2 . . . . . . . . . 59 . HN parsed_2yhh 1
79 1 1 . . . . . . . . . 58 . HA parsed_2yhh 1
79 1 2 . . . . . . . . . 59 . HG2# parsed_2yhh 1
80 1 1 . . . . . . . . . 58 . HA parsed_2yhh 1
80 1 2 . . . . . . . . . 59 . HN parsed_2yhh 1
81 1 1 . . . . . . . . . 59 . HB parsed_2yhh 1
81 1 2 . . . . . . . . . 59 . HN parsed_2yhh 1
82 1 1 . . . . . . . . . 59 . HA parsed_2yhh 1
82 1 2 . . . . . . . . . 59 . HG2# parsed_2yhh 1
83 1 1 . . . . . . . . . 59 . HA parsed_2yhh 1
83 1 2 . . . . . . . . . 60 . HN parsed_2yhh 1
84 1 1 . . . . . . . . . 59 . HB parsed_2yhh 1
84 1 2 . . . . . . . . . 81 . HB# parsed_2yhh 1
85 1 1 . . . . . . . . . 59 . HB parsed_2yhh 1
85 1 2 . . . . . . . . . 81 . HN parsed_2yhh 1
86 1 1 . . . . . . . . . 80 . HA parsed_2yhh 1
86 1 2 . . . . . . . . . 81 . HB# parsed_2yhh 1
87 1 1 . . . . . . . . . 80 . HA parsed_2yhh 1
87 1 2 . . . . . . . . . 81 . HN parsed_2yhh 1
88 1 1 . . . . . . . . . 81 . HB# parsed_2yhh 1
88 1 2 . . . . . . . . . 81 . HN parsed_2yhh 1
89 1 1 . . . . . . . . . 81 . HA parsed_2yhh 1
89 1 2 . . . . . . . . . 81 . HG# parsed_2yhh 1
90 1 1 . . . . . . . . . 81 . HG# parsed_2yhh 1
90 1 2 . . . . . . . . . 81 . HE2# parsed_2yhh 1
91 1 1 . . . . . . . . . 81 . HG# parsed_2yhh 1
91 1 2 . . . . . . . . . 81 . HN parsed_2yhh 1
92 1 1 . . . . . . . . . 81 . HA parsed_2yhh 1
92 1 2 . . . . . . . . . 82 . HG2# parsed_2yhh 1
93 1 1 . . . . . . . . . 81 . HG# parsed_2yhh 1
93 1 2 . . . . . . . . . 82 . HN parsed_2yhh 1
94 1 1 . . . . . . . . . 81 . HG# parsed_2yhh 1
94 1 2 . . . . . . . . . 85 . HA# parsed_2yhh 1
95 1 1 . . . . . . . . . 81 . HA parsed_2yhh 1
95 1 2 . . . . . . . . . 87 . HA parsed_2yhh 1
96 1 1 . . . . . . . . . 82 . HG2# parsed_2yhh 1
96 1 2 . . . . . . . . . 82 . HA parsed_2yhh 1
97 1 1 . . . . . . . . . 82 . HB parsed_2yhh 1
97 1 2 . . . . . . . . . 83 . HB# parsed_2yhh 1
98 1 1 . . . . . . . . . 82 . HB parsed_2yhh 1
98 1 2 . . . . . . . . . 83 . HN parsed_2yhh 1
99 1 1 . . . . . . . . . 82 . HA parsed_2yhh 1
99 1 2 . . . . . . . . . 83 . HN parsed_2yhh 1
100 1 1 . . . . . . . . . 82 . HB parsed_2yhh 1
100 1 2 . . . . . . . . . 84 . HB# parsed_2yhh 1
101 1 1 . . . . . . . . . 82 . HB parsed_2yhh 1
101 1 2 . . . . . . . . . 84 . HN parsed_2yhh 1
102 1 1 . . . . . . . . . 82 . HG2# parsed_2yhh 1
102 1 2 . . . . . . . . . 86 . HB# parsed_2yhh 1
103 1 1 . . . . . . . . . 82 . HG2# parsed_2yhh 1
103 1 2 . . . . . . . . . 87 . HA parsed_2yhh 1
104 1 1 . . . . . . . . . 82 . HG2# parsed_2yhh 1
104 1 2 . . . . . . . . . 88 . HD# parsed_2yhh 1
105 1 1 . . . . . . . . . 82 . HG2# parsed_2yhh 1
105 1 2 . . . . . . . . . 88 . HE# parsed_2yhh 1
106 1 1 . . . . . . . . . 83 . HG# parsed_2yhh 1
106 1 2 . . . . . . . . . 83 . HA parsed_2yhh 1
107 1 1 . . . . . . . . . 83 . HG# parsed_2yhh 1
107 1 2 . . . . . . . . . 83 . HN parsed_2yhh 1
108 1 1 . . . . . . . . . 83 . HB# parsed_2yhh 1
108 1 2 . . . . . . . . . 83 . HN parsed_2yhh 1
109 1 1 . . . . . . . . . 83 . HA parsed_2yhh 1
109 1 2 . . . . . . . . . 84 . HN parsed_2yhh 1
110 1 1 . . . . . . . . . 83 . HA parsed_2yhh 1
110 1 2 . . . . . . . . . 84 . HA parsed_2yhh 1
111 1 1 . . . . . . . . . 83 . HB# parsed_2yhh 1
111 1 2 . . . . . . . . . 84 . HA parsed_2yhh 1
112 1 1 . . . . . . . . . 83 . HA parsed_2yhh 1
112 1 2 . . . . . . . . . 85 . HN parsed_2yhh 1
113 1 1 . . . . . . . . . 84 . HA parsed_2yhh 1
113 1 2 . . . . . . . . . 85 . HN parsed_2yhh 1
114 1 1 . . . . . . . . . 85 . HA# parsed_2yhh 1
114 1 2 . . . . . . . . . 86 . HN parsed_2yhh 1
115 1 1 . . . . . . . . . 86 . HB# parsed_2yhh 1
115 1 2 . . . . . . . . . 86 . HN parsed_2yhh 1
116 1 1 . . . . . . . . . 86 . HG# parsed_2yhh 1
116 1 2 . . . . . . . . . 86 . HN parsed_2yhh 1
117 1 1 . . . . . . . . . 86 . HG# parsed_2yhh 1
117 1 2 . . . . . . . . . 86 . HA parsed_2yhh 1
118 1 1 . . . . . . . . . 86 . HB# parsed_2yhh 1
118 1 2 . . . . . . . . . 87 . HN parsed_2yhh 1
119 1 1 . . . . . . . . . 86 . HA parsed_2yhh 1
119 1 2 . . . . . . . . . 87 . HN parsed_2yhh 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
2 1 . . . . . 3.0 1.8 4.0 parsed_2yhh 1
3 1 . . . . . 5.0 1.8 7.0 parsed_2yhh 1
4 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
5 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
6 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
7 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
8 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
9 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
10 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
11 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
12 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
13 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
14 1 . . . . . 2.5 1.8 3.2 parsed_2yhh 1
15 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
16 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
17 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
18 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
19 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
20 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
21 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
22 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
23 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
24 1 . . . . . 2.5 1.8 2.7 parsed_2yhh 1
25 1 . . . . . 2.5 1.8 3.2 parsed_2yhh 1
26 1 . . . . . 2.5 1.8 3.2 parsed_2yhh 1
27 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
28 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
29 1 . . . . . 3.0 1.8 3.3 parsed_2yhh 1
30 1 . . . . . 2.5 1.8 3.2 parsed_2yhh 1
31 1 . . . . . 2.5 1.8 3.2 parsed_2yhh 1
32 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
33 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
34 1 . . . . . 5.0 1.8 7.0 parsed_2yhh 1
35 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
36 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
37 1 . . . . . 4.0 1.8 5.5 parsed_2yhh 1
38 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
39 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
40 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
41 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
42 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
43 1 . . . . . 2.5 1.8 3.2 parsed_2yhh 1
44 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
45 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
46 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
47 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
48 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
49 1 . . . . . 2.5 1.8 3.2 parsed_2yhh 1
50 1 . . . . . 3.0 1.8 3.7 parsed_2yhh 1
51 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
52 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
53 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
54 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
55 1 . . . . . 3.0 1.8 3.8 parsed_2yhh 1
56 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
57 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
58 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 1
59 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
60 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
61 1 . . . . . 4.0 1.8 4.5 parsed_2yhh 1
62 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
63 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
64 1 . . . . . 3.5 1.3 4.0 parsed_2yhh 1
65 1 . . . . . 4.0 1.8 6.0 parsed_2yhh 1
66 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
67 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
68 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
69 1 . . . . . 3.5 2.3 4.0 parsed_2yhh 1
70 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
71 1 . . . . . 3.0 1.8 3.3 parsed_2yhh 1
72 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
73 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
74 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
75 1 . . . . . 3.0 1.8 3.3 parsed_2yhh 1
76 1 . . . . . 3.0 1.8 4.0 parsed_2yhh 1
77 1 . . . . . 3.0 1.8 3.8 parsed_2yhh 1
78 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
79 1 . . . . . 4.0 1.8 5.5 parsed_2yhh 1
80 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
81 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
82 1 . . . . . 2.5 1.8 3.2 parsed_2yhh 1
83 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
84 1 . . . . . 2.5 1.8 2.7 parsed_2yhh 1
85 1 . . . . . 3.0 2.3 3.8 parsed_2yhh 1
86 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
87 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 1
88 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 1
89 1 . . . . . 3.0 1.8 3.3 parsed_2yhh 1
90 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
91 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
92 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
93 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
94 1 . . . . . 3.0 1.8 3.3 parsed_2yhh 1
95 1 . . . . . 2.5 1.8 2.7 parsed_2yhh 1
96 1 . . . . . 2.5 1.8 3.2 parsed_2yhh 1
97 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
98 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 1
99 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
100 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
101 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
102 1 . . . . . 2.5 1.8 3.2 parsed_2yhh 1
103 1 . . . . . 4.0 1.8 4.5 parsed_2yhh 1
104 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
105 1 . . . . . 2.5 1.8 3.2 parsed_2yhh 1
106 1 . . . . . 3.0 1.8 3.3 parsed_2yhh 1
107 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
108 1 . . . . . 2.5 1.8 3.2 parsed_2yhh 1
109 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
110 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
111 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
112 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
113 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
114 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 1
115 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
116 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
117 1 . . . . . 3.0 1.8 3.3 parsed_2yhh 1
118 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 1
119 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 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
;
pck2xplr.nawk Table; Input File: c13noe.PCK
@ BEGIN_XPLR_PCK_SUM
LBL File-Name All Intra Seq. Short Long
A c13noe.PCK 729 229 175 65 260
Total 729 229 175 65 260
@ END_XPLR_PCK_SUM
@ BEGIN_XPLR_NOE_FILE
T18
;
1 1 10 5 parsed_2yhh 1
2 "A.1260 at -1.86e+07" 11 77 11 98 parsed_2yhh 1
3 "A.2175 at -1.09e+07" 12 77 12 98 parsed_2yhh 1
4
;
A.2174 at -5.29e+06
S39
;
13 77 15 6 parsed_2yhh 1
5 "A.752 at -7.70e+06" 16 77 16 98 parsed_2yhh 1
6 "A.762 at -3.82e+06" 17 77 17 98 parsed_2yhh 1
7 "A.1055 at -5.80e+06" 18 77 18 98 parsed_2yhh 1
8 "A.746 at -5.07e+06" 19 77 19 98 parsed_2yhh 1
9 "A.744 at -6.57e+06" 20 77 20 98 parsed_2yhh 1
10 "A.757 at -5.47e+06" 21 77 21 98 parsed_2yhh 1
11
;
A.745 at -3.92e+06
H41
;
22 77 24 6 parsed_2yhh 1
12
;
A.1022 at 5.73e+06
I42
;
25 77 27 6 parsed_2yhh 1
13 "A.795 at 4.85e+06" 28 77 28 97 parsed_2yhh 1
14 "A.794 at 2.19e+06" 29 77 29 97 parsed_2yhh 1
15
;
A.827 at -1.53e+07
! G43
;
30 77 32 7 parsed_2yhh 1
16 "A.1033 at 5.43e+06" 33 77 33 97 parsed_2yhh 1
17 "A.1035 at 1.08e+07" 34 77 34 97 parsed_2yhh 1
18 "A.1040 at 3.62e+06" 35 77 35 97 parsed_2yhh 1
19 "A.844 at 5.21e+06" 36 77 36 97 parsed_2yhh 1
20 "A.840 at 6.26e+06" 37 77 37 97 parsed_2yhh 1
21 "A.843 at 4.12e+06" 38 77 38 97 parsed_2yhh 1
22
;
A.1093 at -2.93e+06
! N44
;
39 77 41 7 parsed_2yhh 1
23 "A.1088 at -8.61e+06" 43 77 43 98 parsed_2yhh 1
24
;
A.1544 at 1.63e+07
I45
;
44 77 46 6 parsed_2yhh 1
25 "A.871 at 4.04e+07" 47 77 47 97 parsed_2yhh 1
26 "A.866 at 3.17e+07" 48 77 48 97 parsed_2yhh 1
27 "A.2051 at 5.44e+06" 49 77 49 97 parsed_2yhh 1
28 "A.888 at -5.04e+06" 50 77 50 98 parsed_2yhh 1
29 "A.884 at -8.99e+06" 51 77 51 98 parsed_2yhh 1
30 "A.890 at -4.67e+07" 52 77 52 98 parsed_2yhh 1
31 "A.2252 at -1.44e+07" 53 77 53 98 parsed_2yhh 1
32 "A.874 at 1.31e+07" 54 77 54 97 parsed_2yhh 1
33 "A.895 at 6.55e+06" 55 77 55 97 parsed_2yhh 1
34 "A.867 at 2.21e+07" 56 77 56 97 parsed_2yhh 1
35 "A.876 at -9.02e+06" 57 77 57 98 parsed_2yhh 1
36 "A.2055 at -1.40e+07" 58 77 58 98 parsed_2yhh 1
37 "A.999 at 3.71e+06" 59 77 59 97 parsed_2yhh 1
38
;
at 5.91e+06
D46
;
60 77 62 6 parsed_2yhh 1
39 "A.903 at 3.61e+06" 63 77 63 97 parsed_2yhh 1
40 "A.901 at -1.00e+07" 64 77 64 98 parsed_2yhh 1
41 "A.1570 at -2.99e+06" 65 77 65 98 parsed_2yhh 1
42 "A.1637 at -3.55e+06" 66 77 66 98 parsed_2yhh 1
43 "A.1635 at -1.79e+07" 67 77 67 98 parsed_2yhh 1
44 "A.899 at -7.86e+06" 68 77 68 98 parsed_2yhh 1
45
;
A.899 at 2.95e+06
G47
;
69 77 71 6 parsed_2yhh 1
46 "A.923 at 4.52e+06" 72 77 72 97 parsed_2yhh 1
47 "A.918 at 7.47e+06" 73 77 73 97 parsed_2yhh 1
48 "A.912 at 4.09e+06" 74 77 74 97 parsed_2yhh 1
49 "A.914 at 1.66e+07" 75 77 75 97 parsed_2yhh 1
50
;
A.1089 at -6.01e+06
E48
;
76 77 78 6 parsed_2yhh 1
51 "A.931 at -1.07e+07" 79 77 79 98 parsed_2yhh 1
52 "A.934 at 3.40e+06" 80 77 80 97 parsed_2yhh 1
53
;
A.932 at -3.36e+06
L49
;
81 77 83 6 parsed_2yhh 1
54 "A.960 at 3.93e+06" 84 77 84 97 parsed_2yhh 1
55 "A.964 at -8.67e+06" 85 77 85 98 parsed_2yhh 1
56
;
A.968 at -1.14e+07
D53
;
86 77 89 6 parsed_2yhh 1
57 "A.1039 at 7.45e+06" 90 77 90 97 parsed_2yhh 1
58 "A.1027 at 1.78e+07" 91 77 91 97 parsed_2yhh 1
59
;
A.1042 at 8.11e+06
Q54
;
92 77 94 6 parsed_2yhh 1
60
;
A.1049 at 2.77e+06
N55
;
95 77 97 6 parsed_2yhh 1
61 "A.1061 at 5.91e+06" 98 77 98 97 parsed_2yhh 1
62 "A.1058 at -4.24e+06" 99 77 99 98 parsed_2yhh 1
63 "A.1142 at -2.65e+06" 100 77 100 98 parsed_2yhh 1
64 "A.1151 at 1.69e+07" 101 77 101 97 parsed_2yhh 1
65
;
A.1059 at 2.25e+06
F56
;
102 77 104 6 parsed_2yhh 1
66 "A.1094 at 7.10e+06" 105 77 105 97 parsed_2yhh 1
67
;
A.1084 at -3.51e+06
Q57
;
106 77 108 6 parsed_2yhh 1
68 "A.1116 at -9.24e+06" 109 77 109 98 parsed_2yhh 1
69 "A.1109 at -6.57e+06" 110 77 110 98 parsed_2yhh 1
70 "A.1113 at -5.15e+06" 111 77 111 98 parsed_2yhh 1
71 "A.1180 at 1.12e+07" 112 77 112 97 parsed_2yhh 1
72 "A.1114 at -8.58e+06" 113 77 113 98 parsed_2yhh 1
73
;
.58e+06
E58
;
114 77 116 6 parsed_2yhh 1
74 "A.1136 at -1.30e+07" 117 77 117 98 parsed_2yhh 1
75 "A.1128 at -1.38e+07" 118 77 118 98 parsed_2yhh 1
76 "A.1146 at 8.58e+06" 119 77 119 97 parsed_2yhh 1
77 "A.1144 at -7.10e+06" 120 77 120 98 parsed_2yhh 1
78 "A.1139 at -3.47e+06" 121 77 121 98 parsed_2yhh 1
79 "A.1130 at -2.58e+06" 122 77 122 98 parsed_2yhh 1
80
;
A.1135 at -4.35e+06
T59
;
123 77 125 6 parsed_2yhh 1
81 "A.1159 at -1.07e+07" 126 77 126 98 parsed_2yhh 1
82 "A.1156 at -3.23e+07" 127 77 127 98 parsed_2yhh 1
83 "A.1158 at -9.85e+06" 128 77 128 98 parsed_2yhh 1
84 "A.1163 at -1.43e+07" 129 77 129 98 parsed_2yhh 1
85
;
A.1160 at -1.56e+07
C80
;
130 77 132 6 parsed_2yhh 1
86 "A.1579 at -3.51e+06" 133 77 133 98 parsed_2yhh 1
87
;
A.1533 at -2.15e+07
Q81
;
134 77 136 6 parsed_2yhh 1
88 "A.1575 at -1.66e+07" 137 77 137 98 parsed_2yhh 1
89 "A.1566 at -1.24e+07" 138 77 138 98 parsed_2yhh 1
90 "A.1592 at 4.20e+06" 139 77 139 97 parsed_2yhh 1
91 "A.1605 at 2.67e+06" 140 77 140 97 parsed_2yhh 1
92 "A.1620 at -1.77e+07" 141 77 141 98 parsed_2yhh 1
93 "A.1604 at 8.03e+06" 142 77 142 97 parsed_2yhh 1
94 "A.1652 at 7.39e+06" 143 77 143 97 parsed_2yhh 1
95
;
A.1550 at -1.96e+07
T82
;
144 77 146 6 parsed_2yhh 1
96 "A.1618 at -3.34e+07" 147 77 147 98 parsed_2yhh 1
97 "A.576 at -3.54e+06" 148 77 148 98 parsed_2yhh 1
98 "A.1610 at -1.72e+07" 149 77 149 98 parsed_2yhh 1
99 "A.1086 at -1.25e+07" 150 77 150 98 parsed_2yhh 1
100 "A.1615 at -4.39e+06" 151 77 151 98 parsed_2yhh 1
101 "A.1611 at -6.01e+06" 152 77 152 98 parsed_2yhh 1
102 "A.1627 at -3.07e+07" 153 77 153 98 parsed_2yhh 1
103 "A.1622 at -5.96e+06" 154 77 154 98 parsed_2yhh 1
104 "A.1715 at -1.03e+07" 155 77 155 98 parsed_2yhh 1
105
;
A.1719 at 1.79e+07
M83
;
156 77 159 6 parsed_2yhh 1
106 "A.1636 at -1.68e+07" 160 77 160 98 parsed_2yhh 1
107 "A.1644 at -4.88e+06" 161 77 161 98 parsed_2yhh 1
108 "A.1634 at -1.05e+07" 162 77 162 98 parsed_2yhh 1
109 "A.1631 at -3.08e+06" 163 77 163 98 parsed_2yhh 1
110 "A.1360 at -2.87e+06" 164 77 164 98 parsed_2yhh 1
111 "A.1359 at -3.24e+06" 165 77 165 98 parsed_2yhh 1
112
;
A.1632 at -3.26e+06
D84
;
166 77 168 6 parsed_2yhh 1
113
;
A.1358 at -6.98e+06
G85
;
169 77 171 6 parsed_2yhh 1
114
;
A.1662 at 4.05e+06
E86
;
172 77 174 6 parsed_2yhh 1
115 "A.1672 at -1.26e+07" 175 77 175 98 parsed_2yhh 1
116 "A.1686 at 6.24e+06" 176 77 176 97 parsed_2yhh 1
117 "A.1684 at 8.66e+06" 177 77 177 97 parsed_2yhh 1
118 "A.1674 at -1.23e+07" 178 77 178 98 parsed_2yhh 1
119
;
A.1669 at -3.44e+07
@ END_XPLR_NOE_FILE
pck2xplr.nawk Table; Input File: n15noe.PCK
;
179 77 184 2 parsed_2yhh 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2yhh
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_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_2yhh 2
2 1 . . . parsed_2yhh 2
3 1 . . . parsed_2yhh 2
4 1 . . . parsed_2yhh 2
5 1 . . . parsed_2yhh 2
6 1 . . . parsed_2yhh 2
7 1 . . . parsed_2yhh 2
8 1 . . . parsed_2yhh 2
9 1 . . . parsed_2yhh 2
10 1 . . . parsed_2yhh 2
11 1 . . . parsed_2yhh 2
12 1 . . . parsed_2yhh 2
13 1 . . . parsed_2yhh 2
14 1 . . . parsed_2yhh 2
15 1 . . . parsed_2yhh 2
16 1 . . . parsed_2yhh 2
17 1 . . . parsed_2yhh 2
18 1 . . . parsed_2yhh 2
19 1 . . . parsed_2yhh 2
20 1 . . . parsed_2yhh 2
21 1 . . . parsed_2yhh 2
22 1 . . . parsed_2yhh 2
23 1 . . . parsed_2yhh 2
24 1 . . . parsed_2yhh 2
25 1 . . . parsed_2yhh 2
26 1 . . . parsed_2yhh 2
27 1 . . . parsed_2yhh 2
28 1 . . . parsed_2yhh 2
29 1 . . . parsed_2yhh 2
30 1 . . . parsed_2yhh 2
31 1 . . . parsed_2yhh 2
32 1 . . . parsed_2yhh 2
33 1 . . . parsed_2yhh 2
34 1 . . . parsed_2yhh 2
35 1 . . . parsed_2yhh 2
36 1 . . . parsed_2yhh 2
37 1 . . . parsed_2yhh 2
38 1 . . . parsed_2yhh 2
39 1 . . . parsed_2yhh 2
40 1 . . . parsed_2yhh 2
41 1 . . . parsed_2yhh 2
42 1 . . . parsed_2yhh 2
43 1 . . . parsed_2yhh 2
44 1 . . . parsed_2yhh 2
45 1 . . . parsed_2yhh 2
46 1 . . . parsed_2yhh 2
47 1 . . . parsed_2yhh 2
48 1 . . . parsed_2yhh 2
49 1 . . . parsed_2yhh 2
50 1 . . . parsed_2yhh 2
51 1 . . . parsed_2yhh 2
52 1 . . . parsed_2yhh 2
53 1 . . . parsed_2yhh 2
54 1 . . . parsed_2yhh 2
55 1 . . . parsed_2yhh 2
56 1 . . . parsed_2yhh 2
57 1 . . . parsed_2yhh 2
58 1 . . . parsed_2yhh 2
59 1 . . . parsed_2yhh 2
60 1 . . . parsed_2yhh 2
61 1 . . . parsed_2yhh 2
62 1 . . . parsed_2yhh 2
63 1 . . . parsed_2yhh 2
64 1 . . . parsed_2yhh 2
65 1 . . . parsed_2yhh 2
66 1 . . . parsed_2yhh 2
67 1 . . . parsed_2yhh 2
68 1 . . . parsed_2yhh 2
69 1 . . . parsed_2yhh 2
70 1 . . . parsed_2yhh 2
71 1 . . . parsed_2yhh 2
72 1 . . . parsed_2yhh 2
73 1 . . . parsed_2yhh 2
74 1 . . . parsed_2yhh 2
75 1 . . . parsed_2yhh 2
76 1 . . . parsed_2yhh 2
77 1 . . . parsed_2yhh 2
78 1 . . . parsed_2yhh 2
79 1 . . . parsed_2yhh 2
80 1 . . . parsed_2yhh 2
81 1 . . . parsed_2yhh 2
82 1 . . . parsed_2yhh 2
83 1 . . . parsed_2yhh 2
84 1 . . . parsed_2yhh 2
85 1 . . . parsed_2yhh 2
86 1 . . . parsed_2yhh 2
87 1 . . . parsed_2yhh 2
88 1 . . . parsed_2yhh 2
89 1 . . . parsed_2yhh 2
90 1 . . . parsed_2yhh 2
91 1 . . . parsed_2yhh 2
92 1 . . . parsed_2yhh 2
93 1 . . . parsed_2yhh 2
94 1 . . . parsed_2yhh 2
95 1 . . . parsed_2yhh 2
96 1 . . . parsed_2yhh 2
97 1 . . . parsed_2yhh 2
98 1 . . . parsed_2yhh 2
99 1 . . . parsed_2yhh 2
100 1 . . . parsed_2yhh 2
101 1 . . . parsed_2yhh 2
102 1 . . . parsed_2yhh 2
103 1 . . . parsed_2yhh 2
104 1 . . . parsed_2yhh 2
105 1 . . . parsed_2yhh 2
106 1 . . . parsed_2yhh 2
107 1 . . . parsed_2yhh 2
108 1 . . . parsed_2yhh 2
109 1 . . . parsed_2yhh 2
110 1 . . . parsed_2yhh 2
111 1 . . . parsed_2yhh 2
112 1 . . . parsed_2yhh 2
113 1 . . . parsed_2yhh 2
114 1 . . . parsed_2yhh 2
115 1 . . . parsed_2yhh 2
116 1 . . . parsed_2yhh 2
117 1 . . . parsed_2yhh 2
118 1 . . . parsed_2yhh 2
119 1 . . . parsed_2yhh 2
120 1 . . . parsed_2yhh 2
121 1 . . . parsed_2yhh 2
122 1 . . . parsed_2yhh 2
123 1 . . . parsed_2yhh 2
124 1 . . . parsed_2yhh 2
125 1 . . . parsed_2yhh 2
126 1 . . . parsed_2yhh 2
127 1 . . . parsed_2yhh 2
128 1 . . . parsed_2yhh 2
129 1 . . . parsed_2yhh 2
130 1 . . . parsed_2yhh 2
131 1 . . . parsed_2yhh 2
132 1 . . . parsed_2yhh 2
133 1 . . . parsed_2yhh 2
134 1 . . . parsed_2yhh 2
135 1 . . . parsed_2yhh 2
136 1 . . . parsed_2yhh 2
137 1 . . . parsed_2yhh 2
138 1 . . . parsed_2yhh 2
139 1 . . . parsed_2yhh 2
140 1 . . . parsed_2yhh 2
141 1 . . . parsed_2yhh 2
142 1 . . . parsed_2yhh 2
143 1 . . . parsed_2yhh 2
144 1 . . . parsed_2yhh 2
145 1 . . . parsed_2yhh 2
146 1 . . . parsed_2yhh 2
147 1 . . . parsed_2yhh 2
148 1 . . . parsed_2yhh 2
149 1 . . . parsed_2yhh 2
150 1 . . . parsed_2yhh 2
151 1 . . . parsed_2yhh 2
152 1 . . . parsed_2yhh 2
153 1 . . . parsed_2yhh 2
154 1 . . . parsed_2yhh 2
155 1 . . . parsed_2yhh 2
156 1 . . . parsed_2yhh 2
157 1 . . . parsed_2yhh 2
158 1 . . . parsed_2yhh 2
159 1 . . . parsed_2yhh 2
160 1 . . . parsed_2yhh 2
161 1 . . . parsed_2yhh 2
162 1 . . . parsed_2yhh 2
163 1 . . . parsed_2yhh 2
164 1 . . . parsed_2yhh 2
165 1 . . . parsed_2yhh 2
166 1 . . . parsed_2yhh 2
167 1 . . . parsed_2yhh 2
168 1 . . . parsed_2yhh 2
169 1 . . . parsed_2yhh 2
170 1 . . . parsed_2yhh 2
171 1 . . . parsed_2yhh 2
172 1 . . . parsed_2yhh 2
173 1 . . . parsed_2yhh 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 . . . . . . . . . 18 . HB parsed_2yhh 2
1 1 2 . . . . . . . . . 56 . HN parsed_2yhh 2
2 1 1 . . . . . . . . . 39 . HB# parsed_2yhh 2
2 1 2 . . . . . . . . . 55 . HN parsed_2yhh 2
3 1 1 . . . . . . . . . 39 . HA parsed_2yhh 2
3 1 2 . . . . . . . . . 55 . HN parsed_2yhh 2
4 1 1 . . . . . . . . . 39 . HN parsed_2yhh 2
4 1 2 . . . . . . . . . 56 . HE# parsed_2yhh 2
5 1 1 . . . . . . . . . 39 . HB# parsed_2yhh 2
5 1 2 . . . . . . . . . 57 . HN parsed_2yhh 2
6 1 1 . . . . . . . . . 39 . HA parsed_2yhh 2
6 1 2 . . . . . . . . . 57 . HN parsed_2yhh 2
7 1 1 . . . . . . . . . 39 . HB# parsed_2yhh 2
7 1 2 . . . . . . . . . 57 . HE2# parsed_2yhh 2
8 1 1 . . . . . . . . . 40 . HN parsed_2yhh 2
8 1 2 . . . . . . . . . 56 . HE# parsed_2yhh 2
9 1 1 . . . . . . . . . 41 . HA parsed_2yhh 2
9 1 2 . . . . . . . . . 53 . HN parsed_2yhh 2
10 1 1 . . . . . . . . . 42 . HN parsed_2yhh 2
10 1 2 . . . . . . . . . 56 . HE# parsed_2yhh 2
11 1 1 . . . . . . . . . 42 . HB parsed_2yhh 2
11 1 2 . . . . . . . . . 56 . HN parsed_2yhh 2
12 1 1 . . . . . . . . . 43 . HA# parsed_2yhh 2
12 1 2 . . . . . . . . . 44 . HN parsed_2yhh 2
13 1 1 . . . . . . . . . 43 . HA# parsed_2yhh 2
13 1 2 . . . . . . . . . 54 . HN parsed_2yhh 2
14 1 1 . . . . . . . . . 43 . HA# parsed_2yhh 2
14 1 2 . . . . . . . . . 56 . HN parsed_2yhh 2
15 1 1 . . . . . . . . . 44 . HB# parsed_2yhh 2
15 1 2 . . . . . . . . . 44 . HN parsed_2yhh 2
16 1 1 . . . . . . . . . 44 . HD2# parsed_2yhh 2
16 1 2 . . . . . . . . . 44 . HN parsed_2yhh 2
17 1 1 . . . . . . . . . 44 . HA parsed_2yhh 2
17 1 2 . . . . . . . . . 44 . HD2# parsed_2yhh 2
18 1 1 . . . . . . . . . 44 . HB# parsed_2yhh 2
18 1 2 . . . . . . . . . 44 . HD2# parsed_2yhh 2
19 1 1 . . . . . . . . . 44 . HD2# parsed_2yhh 2
19 1 2 . . . . . . . . . 45 . HN parsed_2yhh 2
20 1 1 . . . . . . . . . 44 . HA parsed_2yhh 2
20 1 2 . . . . . . . . . 45 . HN parsed_2yhh 2
21 1 1 . . . . . . . . . 44 . HD2# parsed_2yhh 2
21 1 2 . . . . . . . . . 47 . HN parsed_2yhh 2
22 1 1 . . . . . . . . . 44 . HN parsed_2yhh 2
22 1 2 . . . . . . . . . 53 . HB# parsed_2yhh 2
23 1 1 . . . . . . . . . 44 . HN parsed_2yhh 2
23 1 2 . . . . . . . . . 54 . HN parsed_2yhh 2
24 1 1 . . . . . . . . . 44 . HN parsed_2yhh 2
24 1 2 . . . . . . . . . 56 . HN parsed_2yhh 2
25 1 1 . . . . . . . . . 44 . HN parsed_2yhh 2
25 1 2 . . . . . . . . . 56 . HA parsed_2yhh 2
26 1 1 . . . . . . . . . 44 . HD2# parsed_2yhh 2
26 1 2 . . . . . . . . . 81 . HN parsed_2yhh 2
27 1 1 . . . . . . . . . 45 . HG2# parsed_2yhh 2
27 1 2 . . . . . . . . . 45 . HN parsed_2yhh 2
28 1 1 . . . . . . . . . 45 . HG1# parsed_2yhh 2
28 1 2 . . . . . . . . . 45 . HN parsed_2yhh 2
29 1 1 . . . . . . . . . 45 . HN parsed_2yhh 2
29 1 2 . . . . . . . . . 45 . HB parsed_2yhh 2
30 1 1 . . . . . . . . . 45 . HA parsed_2yhh 2
30 1 2 . . . . . . . . . 46 . HN parsed_2yhh 2
31 1 1 . . . . . . . . . 45 . HN parsed_2yhh 2
31 1 2 . . . . . . . . . 48 . HN parsed_2yhh 2
32 1 1 . . . . . . . . . 45 . HN parsed_2yhh 2
32 1 2 . . . . . . . . . 50 . HN parsed_2yhh 2
33 1 1 . . . . . . . . . 46 . HB# parsed_2yhh 2
33 1 2 . . . . . . . . . 46 . HN parsed_2yhh 2
34 1 1 . . . . . . . . . 46 . HN parsed_2yhh 2
34 1 2 . . . . . . . . . 47 . HN parsed_2yhh 2
35 1 1 . . . . . . . . . 46 . HB# parsed_2yhh 2
35 1 2 . . . . . . . . . 47 . HN parsed_2yhh 2
36 1 1 . . . . . . . . . 46 . HA parsed_2yhh 2
36 1 2 . . . . . . . . . 47 . HN parsed_2yhh 2
37 1 1 . . . . . . . . . 46 . HA parsed_2yhh 2
37 1 2 . . . . . . . . . 48 . HN parsed_2yhh 2
38 1 1 . . . . . . . . . 46 . HB# parsed_2yhh 2
38 1 2 . . . . . . . . . 48 . HN parsed_2yhh 2
39 1 1 . . . . . . . . . 46 . HN parsed_2yhh 2
39 1 2 . . . . . . . . . 83 . HG# parsed_2yhh 2
40 1 1 . . . . . . . . . 46 . HN parsed_2yhh 2
40 1 2 . . . . . . . . . 83 . HN parsed_2yhh 2
41 1 1 . . . . . . . . . 47 . HN parsed_2yhh 2
41 1 2 . . . . . . . . . 48 . HN parsed_2yhh 2
42 1 1 . . . . . . . . . 47 . HA# parsed_2yhh 2
42 1 2 . . . . . . . . . 48 . HN parsed_2yhh 2
43 1 1 . . . . . . . . . 47 . HN parsed_2yhh 2
43 1 2 . . . . . . . . . 48 . HB# parsed_2yhh 2
44 1 1 . . . . . . . . . 47 . HA# parsed_2yhh 2
44 1 2 . . . . . . . . . 80 . HN parsed_2yhh 2
45 1 1 . . . . . . . . . 47 . HN parsed_2yhh 2
45 1 2 . . . . . . . . . 80 . HB# parsed_2yhh 2
46 1 1 . . . . . . . . . 47 . HA# parsed_2yhh 2
46 1 2 . . . . . . . . . 82 . HN parsed_2yhh 2
47 1 1 . . . . . . . . . 47 . HN parsed_2yhh 2
47 1 2 . . . . . . . . . 82 . HG2# parsed_2yhh 2
48 1 1 . . . . . . . . . 47 . HN parsed_2yhh 2
48 1 2 . . . . . . . . . 83 . HN parsed_2yhh 2
49 1 1 . . . . . . . . . 47 . HN parsed_2yhh 2
49 1 2 . . . . . . . . . 83 . HG# parsed_2yhh 2
50 1 1 . . . . . . . . . 48 . HG# parsed_2yhh 2
50 1 2 . . . . . . . . . 48 . HN parsed_2yhh 2
51 1 1 . . . . . . . . . 48 . HB# parsed_2yhh 2
51 1 2 . . . . . . . . . 48 . HN parsed_2yhh 2
52 1 1 . . . . . . . . . 48 . HA parsed_2yhh 2
52 1 2 . . . . . . . . . 49 . HN parsed_2yhh 2
53 1 1 . . . . . . . . . 48 . HB# parsed_2yhh 2
53 1 2 . . . . . . . . . 49 . HN parsed_2yhh 2
54 1 1 . . . . . . . . . 48 . HN parsed_2yhh 2
54 1 2 . . . . . . . . . 49 . HN parsed_2yhh 2
55 1 1 . . . . . . . . . 48 . HG# parsed_2yhh 2
55 1 2 . . . . . . . . . 49 . HN parsed_2yhh 2
56 1 1 . . . . . . . . . 49 . HD* parsed_2yhh 2
56 1 2 . . . . . . . . . 56 . HN parsed_2yhh 2
57 1 1 . . . . . . . . . 51 . HA parsed_2yhh 2
57 1 2 . . . . . . . . . 53 . HN parsed_2yhh 2
58 1 1 . . . . . . . . . 52 . HN parsed_2yhh 2
58 1 2 . . . . . . . . . 53 . HN parsed_2yhh 2
59 1 1 . . . . . . . . . 52 . HA# parsed_2yhh 2
59 1 2 . . . . . . . . . 53 . HN parsed_2yhh 2
60 1 1 . . . . . . . . . 52 . HN parsed_2yhh 2
60 1 2 . . . . . . . . . 53 . HB# parsed_2yhh 2
61 1 1 . . . . . . . . . 53 . HB# parsed_2yhh 2
61 1 2 . . . . . . . . . 53 . HN parsed_2yhh 2
62 1 1 . . . . . . . . . 53 . HN parsed_2yhh 2
62 1 2 . . . . . . . . . 54 . HN parsed_2yhh 2
63 1 1 . . . . . . . . . 53 . HB# parsed_2yhh 2
63 1 2 . . . . . . . . . 54 . HN parsed_2yhh 2
64 1 1 . . . . . . . . . 53 . HA parsed_2yhh 2
64 1 2 . . . . . . . . . 54 . HN parsed_2yhh 2
65 1 1 . . . . . . . . . 53 . HA parsed_2yhh 2
65 1 2 . . . . . . . . . 55 . HN parsed_2yhh 2
66 1 1 . . . . . . . . . 54 . HB# parsed_2yhh 2
66 1 2 . . . . . . . . . 54 . HN parsed_2yhh 2
67 1 1 . . . . . . . . . 54 . HN parsed_2yhh 2
67 1 2 . . . . . . . . . 55 . HN parsed_2yhh 2
68 1 1 . . . . . . . . . 54 . HB# parsed_2yhh 2
68 1 2 . . . . . . . . . 55 . HD2# parsed_2yhh 2
69 1 1 . . . . . . . . . 54 . HG# parsed_2yhh 2
69 1 2 . . . . . . . . . 55 . HD2# parsed_2yhh 2
70 1 1 . . . . . . . . . 54 . HB# parsed_2yhh 2
70 1 2 . . . . . . . . . 55 . HN parsed_2yhh 2
71 1 1 . . . . . . . . . 54 . HA parsed_2yhh 2
71 1 2 . . . . . . . . . 55 . HN parsed_2yhh 2
72 1 1 . . . . . . . . . 55 . HB# parsed_2yhh 2
72 1 2 . . . . . . . . . 55 . HD2# parsed_2yhh 2
73 1 1 . . . . . . . . . 55 . HA parsed_2yhh 2
73 1 2 . . . . . . . . . 55 . HD2# parsed_2yhh 2
74 1 1 . . . . . . . . . 55 . HD2# parsed_2yhh 2
74 1 2 . . . . . . . . . 55 . HN parsed_2yhh 2
75 1 1 . . . . . . . . . 55 . HB# parsed_2yhh 2
75 1 2 . . . . . . . . . 55 . HN parsed_2yhh 2
76 1 1 . . . . . . . . . 55 . HA parsed_2yhh 2
76 1 2 . . . . . . . . . 56 . HN parsed_2yhh 2
77 1 1 . . . . . . . . . 55 . HN parsed_2yhh 2
77 1 2 . . . . . . . . . 56 . HN parsed_2yhh 2
78 1 1 . . . . . . . . . 55 . HA parsed_2yhh 2
78 1 2 . . . . . . . . . 57 . HN parsed_2yhh 2
79 1 1 . . . . . . . . . 55 . HB# parsed_2yhh 2
79 1 2 . . . . . . . . . 57 . HN parsed_2yhh 2
80 1 1 . . . . . . . . . 55 . HN parsed_2yhh 2
80 1 2 . . . . . . . . . 57 . HE2# parsed_2yhh 2
81 1 1 . . . . . . . . . 55 . HA parsed_2yhh 2
81 1 2 . . . . . . . . . 57 . HE2# parsed_2yhh 2
82 1 1 . . . . . . . . . 55 . HA parsed_2yhh 2
82 1 2 . . . . . . . . . 58 . HN parsed_2yhh 2
83 1 1 . . . . . . . . . 55 . HB# parsed_2yhh 2
83 1 2 . . . . . . . . . 58 . HN parsed_2yhh 2
84 1 1 . . . . . . . . . 56 . HB# parsed_2yhh 2
84 1 2 . . . . . . . . . 56 . HN parsed_2yhh 2
85 1 1 . . . . . . . . . 56 . HD# parsed_2yhh 2
85 1 2 . . . . . . . . . 56 . HN parsed_2yhh 2
86 1 1 . . . . . . . . . 56 . HN parsed_2yhh 2
86 1 2 . . . . . . . . . 57 . HN parsed_2yhh 2
87 1 1 . . . . . . . . . 56 . HD# parsed_2yhh 2
87 1 2 . . . . . . . . . 57 . HN parsed_2yhh 2
88 1 1 . . . . . . . . . 56 . HN parsed_2yhh 2
88 1 2 . . . . . . . . . 57 . HE2# parsed_2yhh 2
89 1 1 . . . . . . . . . 57 . HE2# parsed_2yhh 2
89 1 2 . . . . . . . . . 57 . HN parsed_2yhh 2
90 1 1 . . . . . . . . . 57 . HG# parsed_2yhh 2
90 1 2 . . . . . . . . . 57 . HN parsed_2yhh 2
91 1 1 . . . . . . . . . 57 . HB# parsed_2yhh 2
91 1 2 . . . . . . . . . 57 . HN parsed_2yhh 2
92 1 1 . . . . . . . . . 57 . HN parsed_2yhh 2
92 1 2 . . . . . . . . . 58 . HN parsed_2yhh 2
93 1 1 . . . . . . . . . 57 . HB# parsed_2yhh 2
93 1 2 . . . . . . . . . 58 . HN parsed_2yhh 2
94 1 1 . . . . . . . . . 57 . HA parsed_2yhh 2
94 1 2 . . . . . . . . . 58 . HN parsed_2yhh 2
95 1 1 . . . . . . . . . 57 . HA parsed_2yhh 2
95 1 2 . . . . . . . . . 59 . HN parsed_2yhh 2
96 1 1 . . . . . . . . . 57 . HA parsed_2yhh 2
96 1 2 . . . . . . . . . 60 . HN parsed_2yhh 2
97 1 1 . . . . . . . . . 58 . HB# parsed_2yhh 2
97 1 2 . . . . . . . . . 58 . HN parsed_2yhh 2
98 1 1 . . . . . . . . . 58 . HG# parsed_2yhh 2
98 1 2 . . . . . . . . . 58 . HN parsed_2yhh 2
99 1 1 . . . . . . . . . 58 . HN parsed_2yhh 2
99 1 2 . . . . . . . . . 59 . HG2# parsed_2yhh 2
100 1 1 . . . . . . . . . 58 . HB# parsed_2yhh 2
100 1 2 . . . . . . . . . 59 . HN parsed_2yhh 2
101 1 1 . . . . . . . . . 58 . HA parsed_2yhh 2
101 1 2 . . . . . . . . . 59 . HN parsed_2yhh 2
102 1 1 . . . . . . . . . 58 . HN parsed_2yhh 2
102 1 2 . . . . . . . . . 59 . HN parsed_2yhh 2
103 1 1 . . . . . . . . . 58 . HN parsed_2yhh 2
103 1 2 . . . . . . . . . 60 . HN parsed_2yhh 2
104 1 1 . . . . . . . . . 59 . HG2# parsed_2yhh 2
104 1 2 . . . . . . . . . 59 . HN parsed_2yhh 2
105 1 1 . . . . . . . . . 59 . HB parsed_2yhh 2
105 1 2 . . . . . . . . . 59 . HN parsed_2yhh 2
106 1 1 . . . . . . . . . 59 . HN parsed_2yhh 2
106 1 2 . . . . . . . . . 60 . HN parsed_2yhh 2
107 1 1 . . . . . . . . . 59 . HA parsed_2yhh 2
107 1 2 . . . . . . . . . 60 . HN parsed_2yhh 2
108 1 1 . . . . . . . . . 59 . HG2# parsed_2yhh 2
108 1 2 . . . . . . . . . 60 . HN parsed_2yhh 2
109 1 1 . . . . . . . . . 59 . HN parsed_2yhh 2
109 1 2 . . . . . . . . . 60 . HB# parsed_2yhh 2
110 1 1 . . . . . . . . . 59 . HB parsed_2yhh 2
110 1 2 . . . . . . . . . 81 . HN parsed_2yhh 2
111 1 1 . . . . . . . . . 60 . HA parsed_2yhh 2
111 1 2 . . . . . . . . . 81 . HN parsed_2yhh 2
112 1 1 . . . . . . . . . 61 . HN parsed_2yhh 2
112 1 2 . . . . . . . . . 81 . HN parsed_2yhh 2
113 1 1 . . . . . . . . . 80 . HN parsed_2yhh 2
113 1 2 . . . . . . . . . 81 . HN parsed_2yhh 2
114 1 1 . . . . . . . . . 80 . HB# parsed_2yhh 2
114 1 2 . . . . . . . . . 81 . HN parsed_2yhh 2
115 1 1 . . . . . . . . . 80 . HA parsed_2yhh 2
115 1 2 . . . . . . . . . 81 . HN parsed_2yhh 2
116 1 1 . . . . . . . . . 81 . HG# parsed_2yhh 2
116 1 2 . . . . . . . . . 81 . HN parsed_2yhh 2
117 1 1 . . . . . . . . . 81 . HB# parsed_2yhh 2
117 1 2 . . . . . . . . . 81 . HN parsed_2yhh 2
118 1 1 . . . . . . . . . 81 . HN parsed_2yhh 2
118 1 2 . . . . . . . . . 82 . HN parsed_2yhh 2
119 1 1 . . . . . . . . . 81 . HG# parsed_2yhh 2
119 1 2 . . . . . . . . . 82 . HN parsed_2yhh 2
120 1 1 . . . . . . . . . 81 . HB# parsed_2yhh 2
120 1 2 . . . . . . . . . 82 . HN parsed_2yhh 2
121 1 1 . . . . . . . . . 81 . HA parsed_2yhh 2
121 1 2 . . . . . . . . . 82 . HN parsed_2yhh 2
122 1 1 . . . . . . . . . 81 . HG# parsed_2yhh 2
122 1 2 . . . . . . . . . 82 . HN parsed_2yhh 2
123 1 1 . . . . . . . . . 81 . HG# parsed_2yhh 2
123 1 2 . . . . . . . . . 85 . HN parsed_2yhh 2
124 1 1 . . . . . . . . . 81 . HE2# parsed_2yhh 2
124 1 2 . . . . . . . . . 85 . HA# parsed_2yhh 2
125 1 1 . . . . . . . . . 81 . HG# parsed_2yhh 2
125 1 2 . . . . . . . . . 87 . HE1 parsed_2yhh 2
126 1 1 . . . . . . . . . 81 . HN parsed_2yhh 2
126 1 2 . . . . . . . . . 87 . HZ3 parsed_2yhh 2
127 1 1 . . . . . . . . . 81 . HA parsed_2yhh 2
127 1 2 . . . . . . . . . 88 . HN parsed_2yhh 2
128 1 1 . . . . . . . . . 82 . HB parsed_2yhh 2
128 1 2 . . . . . . . . . 82 . HN parsed_2yhh 2
129 1 1 . . . . . . . . . 82 . HG2# parsed_2yhh 2
129 1 2 . . . . . . . . . 82 . HN parsed_2yhh 2
130 1 1 . . . . . . . . . 82 . HG2# parsed_2yhh 2
130 1 2 . . . . . . . . . 83 . HN parsed_2yhh 2
131 1 1 . . . . . . . . . 82 . HB parsed_2yhh 2
131 1 2 . . . . . . . . . 83 . HN parsed_2yhh 2
132 1 1 . . . . . . . . . 82 . HN parsed_2yhh 2
132 1 2 . . . . . . . . . 85 . HN parsed_2yhh 2
133 1 1 . . . . . . . . . 82 . HG2# parsed_2yhh 2
133 1 2 . . . . . . . . . 86 . HN parsed_2yhh 2
134 1 1 . . . . . . . . . 82 . HB parsed_2yhh 2
134 1 2 . . . . . . . . . 86 . HN parsed_2yhh 2
135 1 1 . . . . . . . . . 82 . HN parsed_2yhh 2
135 1 2 . . . . . . . . . 86 . HN parsed_2yhh 2
136 1 1 . . . . . . . . . 82 . HN parsed_2yhh 2
136 1 2 . . . . . . . . . 86 . HG# parsed_2yhh 2
137 1 1 . . . . . . . . . 82 . HN parsed_2yhh 2
137 1 2 . . . . . . . . . 87 . HA parsed_2yhh 2
138 1 1 . . . . . . . . . 82 . HG2# parsed_2yhh 2
138 1 2 . . . . . . . . . 88 . HN parsed_2yhh 2
139 1 1 . . . . . . . . . 83 . HG# parsed_2yhh 2
139 1 2 . . . . . . . . . 83 . HN parsed_2yhh 2
140 1 1 . . . . . . . . . 83 . HB# parsed_2yhh 2
140 1 2 . . . . . . . . . 83 . HN parsed_2yhh 2
141 1 1 . . . . . . . . . 83 . HN parsed_2yhh 2
141 1 2 . . . . . . . . . 84 . HN parsed_2yhh 2
142 1 1 . . . . . . . . . 83 . HA parsed_2yhh 2
142 1 2 . . . . . . . . . 84 . HN parsed_2yhh 2
143 1 1 . . . . . . . . . 83 . HB# parsed_2yhh 2
143 1 2 . . . . . . . . . 84 . HN parsed_2yhh 2
144 1 1 . . . . . . . . . 83 . HN parsed_2yhh 2
144 1 2 . . . . . . . . . 85 . HN parsed_2yhh 2
145 1 1 . . . . . . . . . 84 . HB# parsed_2yhh 2
145 1 2 . . . . . . . . . 84 . HN parsed_2yhh 2
146 1 1 . . . . . . . . . 84 . HA parsed_2yhh 2
146 1 2 . . . . . . . . . 85 . HN parsed_2yhh 2
147 1 1 . . . . . . . . . 84 . HN parsed_2yhh 2
147 1 2 . . . . . . . . . 85 . HN parsed_2yhh 2
148 1 1 . . . . . . . . . 84 . HB# parsed_2yhh 2
148 1 2 . . . . . . . . . 85 . HN parsed_2yhh 2
149 1 1 . . . . . . . . . 84 . HN parsed_2yhh 2
149 1 2 . . . . . . . . . 86 . HN parsed_2yhh 2
150 1 1 . . . . . . . . . 85 . HA# parsed_2yhh 2
150 1 2 . . . . . . . . . 86 . HN parsed_2yhh 2
151 1 1 . . . . . . . . . 85 . HN parsed_2yhh 2
151 1 2 . . . . . . . . . 86 . HN parsed_2yhh 2
152 1 1 . . . . . . . . . 85 . HN parsed_2yhh 2
152 1 2 . . . . . . . . . 86 . HG# parsed_2yhh 2
153 1 1 . . . . . . . . . 44 . HB# parsed_2yhh 2
153 1 2 . . . . . . . . . 202 . H3 parsed_2yhh 2
154 1 1 . . . . . . . . . 44 . HB# parsed_2yhh 2
154 1 2 . . . . . . . . . 202 . H5 parsed_2yhh 2
155 1 1 . . . . . . . . . 45 . HD1# parsed_2yhh 2
155 1 2 . . . . . . . . . 202 . H2 parsed_2yhh 2
156 1 1 . . . . . . . . . 46 . HA parsed_2yhh 2
156 1 2 . . . . . . . . . 201 . H3 parsed_2yhh 2
157 1 1 . . . . . . . . . 55 . HB# parsed_2yhh 2
157 1 2 . . . . . . . . . 202 . H4 parsed_2yhh 2
158 1 1 . . . . . . . . . 55 . HB# parsed_2yhh 2
158 1 2 . . . . . . . . . 202 . 1H6 parsed_2yhh 2
158 1 2 . . . . . . . . . 202 . 2H6 parsed_2yhh 2
159 1 1 . . . . . . . . . 58 . HB# parsed_2yhh 2
159 1 2 . . . . . . . . . 202 . 1H6 parsed_2yhh 2
159 1 2 . . . . . . . . . 202 . 2H6 parsed_2yhh 2
160 1 1 . . . . . . . . . 59 . HG2# parsed_2yhh 2
160 1 2 . . . . . . . . . 201 . H4 parsed_2yhh 2
161 1 1 . . . . . . . . . 59 . HG2# parsed_2yhh 2
161 1 2 . . . . . . . . . 201 . 1H6 parsed_2yhh 2
161 1 2 . . . . . . . . . 201 . 2H6 parsed_2yhh 2
162 1 1 . . . . . . . . . 59 . HG2# parsed_2yhh 2
162 1 2 . . . . . . . . . 202 . H3 parsed_2yhh 2
163 1 1 . . . . . . . . . 59 . HG2# parsed_2yhh 2
163 1 2 . . . . . . . . . 202 . H5 parsed_2yhh 2
164 1 1 . . . . . . . . . 59 . HG2# parsed_2yhh 2
164 1 2 . . . . . . . . . 202 . 1H6 parsed_2yhh 2
164 1 2 . . . . . . . . . 202 . 2H6 parsed_2yhh 2
165 1 1 . . . . . . . . . 83 . HA parsed_2yhh 2
165 1 2 . . . . . . . . . 201 . H3 parsed_2yhh 2
166 1 1 . . . . . . . . . 83 . HA parsed_2yhh 2
166 1 2 . . . . . . . . . 201 . H5 parsed_2yhh 2
167 1 1 . . . . . . . . . 83 . HB# parsed_2yhh 2
167 1 2 . . . . . . . . . 201 . H3 parsed_2yhh 2
168 1 1 . . . . . . . . . 83 . HG# parsed_2yhh 2
168 1 2 . . . . . . . . . 201 . H3 parsed_2yhh 2
169 1 1 . . . . . . . . . 83 . HB# parsed_2yhh 2
169 1 2 . . . . . . . . . 201 . H3 parsed_2yhh 2
170 1 1 . . . . . . . . . 83 . HB# parsed_2yhh 2
170 1 2 . . . . . . . . . 201 . H4 parsed_2yhh 2
171 1 1 . . . . . . . . . 83 . HE# parsed_2yhh 2
171 1 2 . . . . . . . . . 201 . H3 parsed_2yhh 2
172 1 1 . . . . . . . . . 83 . HE# parsed_2yhh 2
172 1 2 . . . . . . . . . 201 . H2 parsed_2yhh 2
173 1 1 . . . . . . . . . 83 . HE# parsed_2yhh 2
173 1 2 . . . . . . . . . 202 . H1 parsed_2yhh 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 . . . . . 6.0 3.8 8.0 parsed_2yhh 2
2 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
3 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
4 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
5 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
6 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
7 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
8 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
9 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
10 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
11 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
12 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
13 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
14 1 . . . . . 3.0 1.8 3.8 parsed_2yhh 2
15 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
16 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
17 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
18 1 . . . . . 3.0 1.8 3.3 parsed_2yhh 2
19 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
20 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
21 1 . . . . . 4.0 1.8 4.5 parsed_2yhh 2
22 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
23 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
24 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
25 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
26 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
27 1 . . . . . 2.5 1.8 3.4 parsed_2yhh 2
28 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
29 1 . . . . . 3.0 1.3 3.5 parsed_2yhh 2
30 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
31 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
32 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
33 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
34 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
35 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
36 1 . . . . . 2.5 1.8 3.2 parsed_2yhh 2
37 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
38 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
39 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
40 1 . . . . . 4.0 1.8 5.5 parsed_2yhh 2
41 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
42 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
43 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
44 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
45 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
46 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
47 1 . . . . . 4.0 1.8 5.5 parsed_2yhh 2
48 1 . . . . . 4.0 1.8 6.0 parsed_2yhh 2
49 1 . . . . . 4.0 1.8 6.0 parsed_2yhh 2
50 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
51 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
52 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
53 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
54 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
55 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
56 1 . . . . . 4.0 1.8 5.5 parsed_2yhh 2
57 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
58 1 . . . . . 2.5 1.8 3.2 parsed_2yhh 2
59 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
60 1 . . . . . 4.0 1.8 6.0 parsed_2yhh 2
61 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
62 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
63 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
64 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
65 1 . . . . . 5.0 1.8 7.0 parsed_2yhh 2
66 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
67 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
68 1 . . . . . 4.0 1.8 4.5 parsed_2yhh 2
69 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
70 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
71 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
72 1 . . . . . 2.5 1.8 2.7 parsed_2yhh 2
73 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
74 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
75 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
76 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
77 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
78 1 . . . . . 3.0 1.8 4.0 parsed_2yhh 2
79 1 . . . . . 5.0 1.8 6.0 parsed_2yhh 2
80 1 . . . . . 4.0 1.8 6.0 parsed_2yhh 2
81 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
82 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
83 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
84 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
85 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
86 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
87 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
88 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
89 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
90 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
91 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
92 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
93 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
94 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
95 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
96 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
97 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
98 1 . . . . . 3.0 1.8 4.0 parsed_2yhh 2
99 1 . . . . . 4.0 1.8 5.5 parsed_2yhh 2
100 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
101 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
102 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
103 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
104 1 . . . . . 3.0 1.8 4.0 parsed_2yhh 2
105 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
106 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
107 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
108 1 . . . . . 4.0 1.8 5.5 parsed_2yhh 2
109 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
110 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
111 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
112 1 . . . . . 4.0 1.8 5.3 parsed_2yhh 2
113 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
114 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
115 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
116 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
117 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
118 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
119 1 . . . . . 3.0 1.8 4.0 parsed_2yhh 2
120 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
121 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
122 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
123 1 . . . . . 4.0 1.8 6.0 parsed_2yhh 2
124 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
125 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
126 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
127 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
128 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
129 1 . . . . . 2.5 1.8 3.4 parsed_2yhh 2
130 1 . . . . . 4.0 1.8 5.5 parsed_2yhh 2
131 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
132 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
133 1 . . . . . 4.0 1.8 5.5 parsed_2yhh 2
134 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
135 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
136 1 . . . . . 4.0 1.8 6.0 parsed_2yhh 2
137 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
138 1 . . . . . 4.0 1.8 5.5 parsed_2yhh 2
139 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
140 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
141 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
142 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
143 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
144 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
145 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
146 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
147 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
148 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
149 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
150 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
151 1 . . . . . 2.5 1.8 2.9 parsed_2yhh 2
152 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
153 1 . . . . . 2.5 1.8 3.0 parsed_2yhh 2
154 1 . . . . . 4.0 1.8 4.5 parsed_2yhh 2
155 1 . . . . . 4.0 1.8 6.0 parsed_2yhh 2
156 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
157 1 . . . . . 2.5 1.8 3.2 parsed_2yhh 2
158 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
159 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
160 1 . . . . . 3.0 1.8 3.3 parsed_2yhh 2
161 1 . . . . . 2.5 0.3 3.0 parsed_2yhh 2
162 1 . . . . . 4.0 1.8 4.5 parsed_2yhh 2
163 1 . . . . . 2.5 1.8 3.2 parsed_2yhh 2
164 1 . . . . . 3.0 1.8 4.0 parsed_2yhh 2
165 1 . . . . . 3.0 1.8 3.3 parsed_2yhh 2
166 1 . . . . . 3.0 1.8 3.3 parsed_2yhh 2
167 1 . . . . . 3.0 1.8 3.5 parsed_2yhh 2
168 1 . . . . . 2.5 1.8 3.2 parsed_2yhh 2
169 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
170 1 . . . . . 4.0 1.8 6.0 parsed_2yhh 2
171 1 . . . . . 2.5 1.8 3.2 parsed_2yhh 2
172 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 2
173 1 . . . . . 4.0 1.8 6.0 parsed_2yhh 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
;
@ BEGIN_XPLR_PCK_SUM
LBL File-Name All Intra Seq. Short Long
A n15noe.PCK 604 142 256 58 148
Total 604 142 256 58 148
@ END_XPLR_PCK_SUM
@ BEGIN_XPLR_NOE_FILE
T18
;
1 1 9 6 parsed_2yhh 2
2
;
A.671 at 1.05e+05
S39
;
10 77 12 6 parsed_2yhh 2
3 "A.818 at 1.71e+05" 13 77 13 97 parsed_2yhh 2
4 "A.820 at 5.60e+05" 14 77 14 97 parsed_2yhh 2
5 "A.753 at 1.18e+05" 15 77 15 97 parsed_2yhh 2
6 "A.949 at 2.63e+05" 16 77 16 97 parsed_2yhh 2
7 "A.386 at 1.83e+05" 17 77 17 97 parsed_2yhh 2
8
;
at 3.45e+05
D40
;
18 77 20 6 parsed_2yhh 2
9
;
A.549 at 2.49e+05
H41
;
21 77 23 6 parsed_2yhh 2
10
;
A.375 at 1.24e+05
I42
;
24 77 26 6 parsed_2yhh 2
11 "A.530 at 2.73e+05" 27 77 27 97 parsed_2yhh 2
12
;
A.677 at 1.21e+05
G43
;
28 77 30 6 parsed_2yhh 2
13 "A.703 at 1.18e+06" 31 77 31 97 parsed_2yhh 2
14 "A.758 at 4.54e+05" 32 77 32 97 parsed_2yhh 2
15
;
A.667 at 3.52e+05
N44
;
33 77 35 6 parsed_2yhh 2
16 "A.702 at 6.48e+05" 36 77 36 97 parsed_2yhh 2
17 "A.704 at 1.45e+05" 37 77 37 97 parsed_2yhh 2
18 "A.794 at 3.54e+05" 38 77 38 97 parsed_2yhh 2
19 "A.797 at 6.11e+05" 39 77 39 97 parsed_2yhh 2
20 "A.917 at 1.13e+05" 40 77 40 97 parsed_2yhh 2
21 "A.74 at 3.42e+06" 41 77 41 97 parsed_2yhh 2
22 "A.921 at 3.90e+05" 42 77 42 97 parsed_2yhh 2
23 "A.701 at 2.24e+05" 43 77 43 97 parsed_2yhh 2
24 "A.762 at 3.32e+05" 44 77 44 97 parsed_2yhh 2
25 "A.675 at 2.21e+05" 45 77 45 97 parsed_2yhh 2
26 "A.705 at 5.89e+05" 46 77 46 97 parsed_2yhh 2
27
;
A.299 at 4.84e+05
I45
;
47 77 49 6 parsed_2yhh 2
28 "A.79 at 9.41e+05" 50 77 50 97 parsed_2yhh 2
29 "A.78 at 7.90e+05" 51 77 51 97 parsed_2yhh 2
30 "A.77 at 1.54e+06" 52 77 52 97 parsed_2yhh 2
31 "A.68 at 6.34e+06" 53 77 53 97 parsed_2yhh 2
32 "A.72 at 1.28e+06" 54 77 54 97 parsed_2yhh 2
33
;
A.518 at 1.76e+05
D46
;
55 77 57 6 parsed_2yhh 2
34 "A.69 at 4.40e+05" 58 77 58 97 parsed_2yhh 2
35 "A.67 at 9.83e+05" 59 77 59 97 parsed_2yhh 2
36 "A.928 at 3.73e+05" 60 77 60 97 parsed_2yhh 2
37 "A.924 at 1.28e+06" 61 77 61 97 parsed_2yhh 2
38 "A.709 at 2.20e+05" 62 77 62 97 parsed_2yhh 2
39 "A.707 at 3.29e+05" 63 77 63 97 parsed_2yhh 2
40 "A.75 at 5.08e+05" 64 77 64 97 parsed_2yhh 2
41
;
A.84 at 1.38e+05
G47
;
65 77 67 6 parsed_2yhh 2
42 "A.713 at 1.86e+06" 68 77 68 97 parsed_2yhh 2
43 "A.715 at 4.84e+05" 69 77 69 97 parsed_2yhh 2
44 "A.931 at 1.22e+05" 70 77 70 97 parsed_2yhh 2
45 "A.187 at 2.37e+05" 71 77 71 97 parsed_2yhh 2
46 "A.927 at 2.09e+05" 72 77 72 97 parsed_2yhh 2
47 "A.606 at 1.47e+05" 73 77 73 97 parsed_2yhh 2
48 "A.932 at 2.05e+05" 74 77 74 97 parsed_2yhh 2
49 "A.918 at 1.39e+05" 75 77 75 97 parsed_2yhh 2
50
;
A.929 at 1.08e+05
E48
;
76 77 78 6 parsed_2yhh 2
51 "A.706 at 3.72e+05" 79 77 79 97 parsed_2yhh 2
52 "A.716 at 7.77e+05" 80 77 80 97 parsed_2yhh 2
53 "A.182 at 2.71e+06" 81 77 81 97 parsed_2yhh 2
54 "A.180 at 2.85e+05" 82 77 82 97 parsed_2yhh 2
55 "A.200 at 2.07e+05" 83 77 83 97 parsed_2yhh 2
56
;
A.933 at 1.03e+05
L49
;
84 77 86 6 parsed_2yhh 2
57
;
A.946 at 1.35e+05
F51
;
87 77 89 6 parsed_2yhh 2
58
;
A.374 at 4.93e+05
G52
;
90 77 92 6 parsed_2yhh 2
59 "A.377 at 1.97e+06" 93 77 93 97 parsed_2yhh 2
60 "A.371 at 5.30e+05" 94 77 94 97 parsed_2yhh 2
61
;
A.943 at 9.71e+04
D53
;
95 77 97 6 parsed_2yhh 2
62 "A.370 at 1.05e+06" 98 77 98 97 parsed_2yhh 2
63 "A.378 at 2.27e+05" 99 77 99 97 parsed_2yhh 2
64 "A.755 at 1.99e+06" 100 77 100 97 parsed_2yhh 2
65 "A.759 at 1.38e+06" 101 77 101 97 parsed_2yhh 2
66
;
A.821 at 1.6e+06
Q54
;
102 77 104 6 parsed_2yhh 2
67 "A.757 at 7.01e+05" 105 77 105 97 parsed_2yhh 2
68 "A.764 at 1.60e+05" 106 77 106 97 parsed_2yhh 2
69 "A.783 at 3.36e+05" 107 77 107 97 parsed_2yhh 2
70 "A.792 at 1.49e+05" 108 77 108 97 parsed_2yhh 2
71 "A.816 at 8.97e+05" 109 77 109 97 parsed_2yhh 2
72
;
A.822 at 1.45e+06
N55
;
110 77 112 6 parsed_2yhh 2
73 "A.782 at 1.46e+06" 113 77 113 97 parsed_2yhh 2
74 "A.785 at 1.28e+05" 114 77 114 97 parsed_2yhh 2
75 "A.824 at 2.44e+05" 115 77 115 97 parsed_2yhh 2
76 "A.815 at 4.03e+05" 116 77 116 97 parsed_2yhh 2
77 "A.670 at 4.44e+05" 117 77 117 97 parsed_2yhh 2
78 "A.676 at 5.28e+05" 118 77 118 97 parsed_2yhh 2
79 "A.387 at 4.74e+05" 119 77 119 97 parsed_2yhh 2
80 "A.950 at 1.12e+05" 120 77 120 97 parsed_2yhh 2
81 "A.825 at 9.38e+04" 121 77 121 97 parsed_2yhh 2
82 "at 5.40e+05" 122 77 122 97 parsed_2yhh 2
83 "A.952 at 1.22e+05" 123 77 123 97 parsed_2yhh 2
84
;
A.562 at 1.74e+05
F56
;
124 77 126 6 parsed_2yhh 2
85 "A.666 at 7.81e+05" 127 77 127 97 parsed_2yhh 2
86 "A.672 at 6.51e+05" 128 77 128 97 parsed_2yhh 2
87 "A.391 at 5.94e+05" 129 77 129 97 parsed_2yhh 2
88 "A.388 at 4.02e+05" 130 77 130 97 parsed_2yhh 2
89
;
A.944 at 4.40e+05
Q57
;
131 77 133 6 parsed_2yhh 2
90 "A.392 at 1.34e+05" 134 77 134 97 parsed_2yhh 2
91 "A.382 at 4.12e+05" 135 77 135 97 parsed_2yhh 2
92 "A.381 at 6.76e+05" 136 77 136 97 parsed_2yhh 2
93 "A.389 at 1.41e+06" 137 77 137 97 parsed_2yhh 2
94 "A.555 at 1.38e+05" 138 77 138 97 parsed_2yhh 2
95 "A.561 at 2.37e+05" 139 77 139 97 parsed_2yhh 2
96 "A.958 at 2.30e+05" 140 77 140 97 parsed_2yhh 2
97
;
A.680 at 5.22e+05
E58
;
141 77 143 6 parsed_2yhh 2
98 "A.564 at 1.65e+06" 144 77 144 97 parsed_2yhh 2
99 "A.563 at 1.03e+06" 145 77 145 97 parsed_2yhh 2
100 "A.566 at 1.57e+05" 146 77 146 97 parsed_2yhh 2
101 "A.962 at 4.91e+05" 147 77 147 97 parsed_2yhh 2
102 "A.957 at 3.97e+05" 148 77 148 97 parsed_2yhh 2
103 "A.953 at 1.20e+06" 149 77 149 97 parsed_2yhh 2
104
;
A.557 at 1.37e+05
T59
;
150 77 152 6 parsed_2yhh 2
105 "A.961 at 5.79e+05" 153 77 153 97 parsed_2yhh 2
106 "A.956 at 2.84e+05" 154 77 154 97 parsed_2yhh 2
107 "A.683 at 2.45e+06" 155 77 155 97 parsed_2yhh 2
108 "A.681 at 7.31e+05" 156 77 156 97 parsed_2yhh 2
109 "A.685 at 1.58e+05" 157 77 157 97 parsed_2yhh 2
110 "A.959 at 1.72e+05" 158 77 158 97 parsed_2yhh 2
111
;
A.295 at 2.99e+05
C60
;
159 77 161 6 parsed_2yhh 2
112
;
A.297 at 5.81e+05
Q61
;
162 77 164 6 parsed_2yhh 2
113
;
A.302 at 1.34e+05
C80
;
165 77 167 6 parsed_2yhh 2
114 "A.195 at 1.49e+05" 168 77 168 97 parsed_2yhh 2
115 "A.293 at 5.80e+05" 169 77 169 97 parsed_2yhh 2
116
;
A.296 at 1.72e+06
Q81
;
170 77 172 6 parsed_2yhh 2
117 "A.995 at 1.17e+05" 173 77 173 97 parsed_2yhh 2
118 "A.290 at 9.95e+05" 174 77 174 97 parsed_2yhh 2
119 "A.301 at 1.34e+05" 175 77 175 97 parsed_2yhh 2
120 "A.607 at 7.35e+05" 176 77 176 97 parsed_2yhh 2
121 "A.612 at 2.54e+05" 177 77 177 97 parsed_2yhh 2
122 "A.603 at 3.90e+06" 178 77 178 97 parsed_2yhh 2
123 "A.613 at 4.30e+05" 179 77 179 97 parsed_2yhh 2
124 "A.1008 at 9.22e+04" 180 77 180 97 parsed_2yhh 2
125 "at 1.92e+05" 181 77 181 91 parsed_2yhh 2
126 "A.52 at 1.22e+05" 182 77 182 97 parsed_2yhh 2
127 "A.298 at 3.19e+05" 183 77 183 97 parsed_2yhh 2
128
;
A.248 at 4.38e+05
T82
;
184 77 186 6 parsed_2yhh 2
129 "A.605 at 1.82e+05" 187 77 187 97 parsed_2yhh 2
130 "A.614 at 1.43e+06" 188 77 188 97 parsed_2yhh 2
131 "A.474 at 2.60e+05" 189 77 189 97 parsed_2yhh 2
132 "A.476 at 1.18e+06" 190 77 190 97 parsed_2yhh 2
133 "A.610 at 2.59e+05" 191 77 191 97 parsed_2yhh 2
134 "A.448 at 2.24e+05" 192 77 192 97 parsed_2yhh 2
135 "A.451 at 1.80e+05" 193 77 193 97 parsed_2yhh 2
136 "A.452 at 6.62e+05" 194 77 194 97 parsed_2yhh 2
137 "A.608 at 1.48e+05" 195 77 195 97 parsed_2yhh 2
138 "A.604 at 5.33e+05" 196 77 196 97 parsed_2yhh 2
139
;
A.259 at 1.50e+05
M83
;
197 77 199 6 parsed_2yhh 2
140 "A.473 at 6.29e+05" 200 77 200 97 parsed_2yhh 2
141 "A.472 at 1.30e+06" 201 77 201 97 parsed_2yhh 2
142 "A.477 at 5.77e+05" 202 77 202 97 parsed_2yhh 2
143 "A.740 at 5.87e+05" 203 77 203 97 parsed_2yhh 2
144 "A.911 at 6.28e+05" 204 77 204 97 parsed_2yhh 2
145
;
A.998 at 1.55e+05
D84
;
205 77 207 6 parsed_2yhh 2
146 "A.728 at 1.57e+06" 208 77 208 97 parsed_2yhh 2
147 "A.1002 at 6.74e+05" 209 77 209 97 parsed_2yhh 2
148 "A.999 at 1.15e+06" 210 77 210 97 parsed_2yhh 2
149 "A.1005 at 4.20e+05" 211 77 211 97 parsed_2yhh 2
150
;
A.453 at 1.74e+05
G85
;
212 77 214 6 parsed_2yhh 2
151 "A.447 at 4.59e+05" 215 77 215 97 parsed_2yhh 2
152 "A.454 at 1.19e+06" 216 77 216 97 parsed_2yhh 2
153
;
A.1006 at 2.27e+05
@ END_XPLR_NOE_FILE
EDIT_HISTORY
3-16-10 chnoe3d
N44
;
217 77 224 5 parsed_2yhh 2
154 I45 228 1 228 5 parsed_2yhh 2
155 D46 231 1 231 5 parsed_2yhh 2
156
;
Q54
N55
;
234 1 236 5 parsed_2yhh 2
157 E58 240 1 240 5 parsed_2yhh 2
158 T59 243 1 243 5 parsed_2yhh 2
159
;
T82
M83
;
250 1 252 5 parsed_2yhh 2
160 "3.0 1.2 0.3" 256 75 256 87 parsed_2yhh 2
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2yhh
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_2yhh 3
2 1 . . . parsed_2yhh 3
3 1 . . . parsed_2yhh 3
4 1 . . . parsed_2yhh 3
5 1 . . . parsed_2yhh 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 . . . . . . . . . 54 . O parsed_2yhh 3
1 1 2 . . . . . . . . . 202 . O3 parsed_2yhh 3
2 1 1 . . . . . . . . . 55 . O parsed_2yhh 3
2 1 2 . . . . . . . . . 202 . O3 parsed_2yhh 3
3 1 1 . . . . . . . . . 55 . O parsed_2yhh 3
3 1 2 . . . . . . . . . 202 . O4 parsed_2yhh 3
4 1 1 . . . . . . . . . 58 . OE1 parsed_2yhh 3
4 1 2 . . . . . . . . . 202 . O6 parsed_2yhh 3
5 1 1 . . . . . . . . . 82 . O parsed_2yhh 3
5 1 2 . . . . . . . . . 201 . O4 parsed_2yhh 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 . . . . . 2.5 1.8 2.9 parsed_2yhh 3
2 1 . . . . . 2.5 1.8 2.7 parsed_2yhh 3
3 1 . . . . . 2.5 1.8 3.0 parsed_2yhh 3
4 1 . . . . . 2.5 1.8 2.8 parsed_2yhh 3
5 1 . . . . . 3.6 1.8 3.9 parsed_2yhh 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 "Hbond restraints" 1 1 1 19 parsed_2yhh 3
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2yhh
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type NOE
_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_2yhh 4
2 1 . . . parsed_2yhh 4
3 1 . . . parsed_2yhh 4
4 1 . . . parsed_2yhh 4
5 1 . . . parsed_2yhh 4
6 1 . . . parsed_2yhh 4
7 1 . . . parsed_2yhh 4
8 1 . . . parsed_2yhh 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 . . . . . . . . . 201 . H1 parsed_2yhh 4
1 1 2 . . . . . . . . . 202 . H1 parsed_2yhh 4
2 1 1 . . . . . . . . . 201 . H1 parsed_2yhh 4
2 1 2 . . . . . . . . . 202 . H5 parsed_2yhh 4
3 1 1 . . . . . . . . . 201 . H1 parsed_2yhh 4
3 1 2 . . . . . . . . . 202 . 1H6 parsed_2yhh 4
3 1 2 . . . . . . . . . 202 . 2H6 parsed_2yhh 4
4 1 1 . . . . . . . . . 201 . H2 parsed_2yhh 4
4 1 2 . . . . . . . . . 202 . H1 parsed_2yhh 4
5 1 1 . . . . . . . . . 201 . H2 parsed_2yhh 4
5 1 2 . . . . . . . . . 202 . H2 parsed_2yhh 4
6 1 1 . . . . . . . . . 201 . H3 parsed_2yhh 4
6 1 2 . . . . . . . . . 202 . H1 parsed_2yhh 4
7 1 1 . . . . . . . . . 201 . H4 parsed_2yhh 4
7 1 2 . . . . . . . . . 202 . H3 parsed_2yhh 4
8 1 1 . . . . . . . . . 201 . 1H6 parsed_2yhh 4
8 1 1 . . . . . . . . . 201 . 2H6 parsed_2yhh 4
8 1 2 . . . . . . . . . 202 . H5 parsed_2yhh 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 . . . . . 2.5 1.8 3.0 parsed_2yhh 4
2 1 . . . . . 4.0 1.8 4.6 parsed_2yhh 4
3 1 . . . . . 4.0 1.8 4.3 parsed_2yhh 4
4 1 . . . . . 2.5 1.8 2.8 parsed_2yhh 4
5 1 . . . . . 3.5 1.8 3.8 parsed_2yhh 4
6 1 . . . . . 4.0 1.8 5.0 parsed_2yhh 4
7 1 . . . . . 4.0 1.8 4.3 parsed_2yhh 4
8 1 . . . . . 4.0 1.8 4.3 parsed_2yhh 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
;
EDIT_HISTORY
1-24-01 12-filtered NOE
Z201
;
1 1 4 6 parsed_2yhh 4
2 3.6A 5 72 5 77 parsed_2yhh 4
3 3.6A 7 86 7 91 parsed_2yhh 4
4 2.2A 8 72 8 77 parsed_2yhh 4
5 3.9A 9 72 9 77 parsed_2yhh 4
6 4.4A 10 72 10 77 parsed_2yhh 4
7 3.6A 11 72 11 77 parsed_2yhh 4
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2yhh
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -25.0 . . 44 . N . 44 . CA . 44 . CB . 44 . CG parsed_2yhh 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 45 . N . 45 . CA . 45 . CB . 45 . CG1 parsed_2yhh 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 45 . CA . 45 . CB . 45 . CG1 . 45 . CD1 parsed_2yhh 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 46 . N . 46 . CA . 46 . CB . 46 . CG parsed_2yhh 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 48 . N . 48 . CA . 48 . CB . 48 . CG parsed_2yhh 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 53 . N . 53 . CA . 53 . CB . 53 . CG parsed_2yhh 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 54 . N . 54 . CA . 54 . CB . 54 . CG parsed_2yhh 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 55 . N . 55 . CA . 55 . CB . 55 . CG parsed_2yhh 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 56 . N . 56 . CA . 56 . CB . 56 . CG parsed_2yhh 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 130.0 . . 56 . CA . 56 . CB . 56 . CG . 56 . CD1 parsed_2yhh 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 57 . N . 57 . CA . 57 . CB . 57 . CG parsed_2yhh 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 58 . N . 58 . CA . 58 . CB . 58 . CG parsed_2yhh 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 59 . N . 59 . CA . 59 . CB . 59 . OG1 parsed_2yhh 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 81 . N . 81 . CA . 81 . CB . 81 . CG parsed_2yhh 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 81 . CA . 81 . CB . 81 . CG . 81 . CD parsed_2yhh 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 82 . N . 82 . CA . 82 . CB . 82 . OG1 parsed_2yhh 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 83 . N . 83 . CA . 83 . CB . 83 . CG parsed_2yhh 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 84 . N . 84 . CA . 84 . CB . 84 . CG parsed_2yhh 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 86 . N . 86 . CA . 86 . CB . 86 . CG parsed_2yhh 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 201 . O1 . 201 . C1 . 201 . C2 . 201 . C3 parsed_2yhh 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 201 . O1 . 201 . C1 . 201 . C2 . 201 . O2 parsed_2yhh 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 201 . C1 . 201 . C2 . 201 . C3 . 201 . C4 parsed_2yhh 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 201 . C1 . 201 . C2 . 201 . C3 . 201 . O3 parsed_2yhh 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 201 . O2 . 201 . C2 . 201 . C3 . 201 . C4 parsed_2yhh 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 201 . O2 . 201 . C2 . 201 . C3 . 201 . O3 parsed_2yhh 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 201 . C2 . 201 . C3 . 201 . C4 . 201 . C5 parsed_2yhh 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 201 . C2 . 201 . C3 . 201 . C4 . 201 . O4 parsed_2yhh 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 201 . O3 . 201 . C3 . 201 . C4 . 201 . C5 parsed_2yhh 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 201 . O3 . 201 . C3 . 201 . C4 . 201 . O4 parsed_2yhh 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 201 . C3 . 201 . C4 . 201 . C5 . 201 . C6 parsed_2yhh 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 201 . C3 . 201 . C4 . 201 . C5 . 201 . O5 parsed_2yhh 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 201 . O4 . 201 . C4 . 201 . C5 . 201 . C6 parsed_2yhh 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 201 . O4 . 201 . C4 . 201 . C5 . 201 . O5 parsed_2yhh 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 201 . C4 . 201 . C5 . 201 . C6 . 201 . O6 parsed_2yhh 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 201 . O5 . 201 . C5 . 201 . C6 . 201 . O6 parsed_2yhh 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 201 . C4 . 201 . C5 . 201 . O5 . 201 . C1 parsed_2yhh 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 201 . C6 . 201 . C5 . 201 . O5 . 201 . C1 parsed_2yhh 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 201 . O2 . 202 . C1 . 202 . C2 . 202 . C3 parsed_2yhh 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 201 . O2 . 202 . C1 . 202 . C2 . 202 . O2 parsed_2yhh 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 202 . O5 . 202 . C1 . 202 . C2 . 202 . C3 parsed_2yhh 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 202 . O5 . 202 . C1 . 202 . C2 . 202 . O2 parsed_2yhh 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 201 . O2 . 202 . C1 . 202 . O5 . 202 . C5 parsed_2yhh 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 202 . C2 . 202 . C1 . 202 . O5 . 202 . C5 parsed_2yhh 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 202 . C1 . 202 . C2 . 202 . C3 . 202 . C4 parsed_2yhh 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 202 . C1 . 202 . C2 . 202 . C3 . 202 . O3 parsed_2yhh 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 202 . O2 . 202 . C2 . 202 . C3 . 202 . C4 parsed_2yhh 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 202 . O2 . 202 . C2 . 202 . C3 . 202 . O3 parsed_2yhh 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 202 . C2 . 202 . C3 . 202 . C4 . 202 . C5 parsed_2yhh 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 202 . C2 . 202 . C3 . 202 . C4 . 202 . O4 parsed_2yhh 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 202 . O3 . 202 . C3 . 202 . C4 . 202 . C5 parsed_2yhh 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 202 . O3 . 202 . C3 . 202 . C4 . 202 . O4 parsed_2yhh 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 202 . C3 . 202 . C4 . 202 . C5 . 202 . C6 parsed_2yhh 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 202 . C3 . 202 . C4 . 202 . C5 . 202 . O5 parsed_2yhh 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 202 . O4 . 202 . C4 . 202 . C5 . 202 . C6 parsed_2yhh 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 202 . O4 . 202 . C4 . 202 . C5 . 202 . O5 parsed_2yhh 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 202 . C4 . 202 . C5 . 202 . C6 . 202 . O6 parsed_2yhh 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 202 . O5 . 202 . C5 . 202 . C6 . 202 . O6 parsed_2yhh 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 202 . C4 . 202 . C5 . 202 . O5 . 202 . C1 parsed_2yhh 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 202 . C6 . 202 . C5 . 202 . O5 . 202 . C1 parsed_2yhh 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 201 . C1 . 201 . C2 . 201 . O2 . 202 . C1 parsed_2yhh 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 120.0 . . 201 . C2 . 201 . O2 . 202 . C1 . 201 . O5 parsed_2yhh 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
!Dihedrals for interfacial side chains, MVN-mannobiose
! n44
;
1 1 3 7 parsed_2yhh 1
2
;
!
! i45
;
5 71 6 7 parsed_2yhh 1
3 ! 8 72 8 75 parsed_2yhh 1
4
;
!
! d46
;
10 72 12 7 parsed_2yhh 1
5
;
!
! g47
! e48**
;
14 71 18 10 parsed_2yhh 1
6
;
assign (resid 48 and name CA) (resid 48 and name CB)
(resid 48 and name CG) (resid 48 and name CD) 1.0 -60.0 20.0 2
! d53**
;
21 1 24 9 parsed_2yhh 1
7 "! q54**" 28 1 28 9 parsed_2yhh 1
8
;
assign (resid 54 and name CA ) (resid 54 and name CB)
(resid 54 and name CG) (resid 54 and name CD) 1.0 180.0 20.0 2
! n55
;
31 1 34 7 parsed_2yhh 1
9
;
assign (resid 55 and name CA) (resid 55 and name CB)
(resid 55 and name CG) (resid 55 and name OD1) 1.0 -40.0 20.0 2
! f56
;
37 1 40 7 parsed_2yhh 1
10 "! q57" 47 1 47 7 parsed_2yhh 1
11
;
assign (resid 57 and name CA ) (resid 57 and name CB)
(resid 57 and name CG) (resid 57 and name CD) 1.0 -60.0 40.0 2
assign (resid 57 and name CB) (resid 57 and name CG)
(resid 57 and name CD) (resid 57 and name OE1) 1.0 -20.0 40.0 2
! e58
;
50 1 55 7 parsed_2yhh 1
12
;
assign (resid 58 and name CA) (resid 58 and name CB)
(resid 58 and name CG) (resid 58 and name CD) 1.0 180.0 20.0 2
! t59
;
58 1 61 7 parsed_2yhh 1
13 "! q81" 65 1 65 7 parsed_2yhh 1
14 "! t82" 71 1 71 7 parsed_2yhh 1
15 "! m83**" 75 1 75 9 parsed_2yhh 1
16
;
assign (resid 83 and name CA) (resid 83 and name CB)
(resid 83 and name CG) (resid 83 and name SD) 1.0 180.0 20.0 2
assign (resid 83 and name CB) (resid 83 and name CG)
(resid 83 and name SD) (resid 83 and name CE) 1.0 60.0 20.0 2
! d84**
;
78 1 83 9 parsed_2yhh 1
17
;
! g85
! e86
;
87 1 89 7 parsed_2yhh 1
18
;
assign (resid 86 and name CA) (resid 86 and name CB)
(resid 86 and name CG) (resid 86 and name CD) 1.0 180.0 20.0 2
Dihedrals from topology file, checked by hand
;
92 1 96 47 parsed_2yhh 1
19
;
1-24-01 Dihedrals of Man2 based on NOEs
! Z201
;
219 1 221 13 parsed_2yhh 1
stop_
save_
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