Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
35384 | 1ldz RC | 4226 | cing | 2-parsed | STAR | entry | full | 392 |
data_1ldz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ldz
_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_1ldz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ldz
_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 1ldz "Master copy" parsed_1ldz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ldz
_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 1ldz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ldz 1
1 1ldz.mr . . XPLOR/CNS 2 distance NOE simple 146 parsed_1ldz 1
1 1ldz.mr . . XPLOR/CNS 3 distance NOE simple 25 parsed_1ldz 1
1 1ldz.mr . . XPLOR/CNS 4 distance "general distance" simple 58 parsed_1ldz 1
1 1ldz.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 58 parsed_1ldz 1
1 1ldz.mr . . XPLOR/CNS 6 distance NOE simple 2 parsed_1ldz 1
1 1ldz.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 52 parsed_1ldz 1
1 1ldz.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 21 parsed_1ldz 1
1 1ldz.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 7 parsed_1ldz 1
1 1ldz.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 23 parsed_1ldz 1
1 1ldz.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ldz 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_1ldz
_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 CATALYTIC RNA 18-AUG-98 1LDZ
*TITLE SOLUTION STRUCTURE OF THE LEAD-DEPENDENT RIBOZYME, NMR,
*TITLE 2 25 STRUCTURES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: LEAD-DEPENDENT RIBOZYME;
*COMPND 3 CHAIN: NULL;
*COMPND 4 SYNONYM: LEADZYME;
*COMPND 5 ENGINEERED: YES;
*COMPND 6 BIOLOGICAL_UNIT: MONOMER;
*COMPND 7 OTHER_DETAILS: MOLECULE IS RNA
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: NON-BIOLOGICAL SEQUENCE;
*SOURCE 3 OTHER_DETAILS: PREPARED BY IN VITRO TRANSCRIPTION FROM
*SOURCE 4 SYNTHETIC DNA TEMPLATE
*KEYWDS CATALYTIC RNA, INTERNAL LOOPS, LEADZYME, NMR SPECTROSCOPY,
*KEYWDS 2 RNA STRUCTURE
*EXPDTA NMR, 25 STRUCTURES
*AUTHOR C.G.HOOGSTRATEN,P.LEGAULT,A.PARDI
*REVDAT 1 12-OCT-04 1LDZ 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ldz
_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_1ldz 1
2 1 . . . parsed_1ldz 1
3 1 . . . parsed_1ldz 1
4 1 . . . parsed_1ldz 1
5 1 . . . parsed_1ldz 1
6 1 . . . parsed_1ldz 1
7 1 . . . parsed_1ldz 1
8 1 . . . parsed_1ldz 1
9 1 . . . parsed_1ldz 1
10 1 . . . parsed_1ldz 1
11 1 . . . parsed_1ldz 1
12 1 . . . parsed_1ldz 1
13 1 . . . parsed_1ldz 1
14 1 . . . parsed_1ldz 1
15 1 . . . parsed_1ldz 1
16 1 . . . parsed_1ldz 1
17 1 . . . parsed_1ldz 1
18 1 . . . parsed_1ldz 1
19 1 . . . parsed_1ldz 1
20 1 . . . parsed_1ldz 1
21 1 . . . parsed_1ldz 1
22 1 . . . parsed_1ldz 1
23 1 . . . parsed_1ldz 1
24 1 . . . parsed_1ldz 1
25 1 . . . parsed_1ldz 1
26 1 . . . parsed_1ldz 1
27 1 . . . parsed_1ldz 1
28 1 . . . parsed_1ldz 1
29 1 . . . parsed_1ldz 1
30 1 . . . parsed_1ldz 1
31 1 . . . parsed_1ldz 1
32 1 . . . parsed_1ldz 1
33 1 . . . parsed_1ldz 1
34 1 . . . parsed_1ldz 1
35 1 . . . parsed_1ldz 1
36 1 . . . parsed_1ldz 1
37 1 . . . parsed_1ldz 1
38 1 . . . parsed_1ldz 1
39 1 . . . parsed_1ldz 1
40 1 . . . parsed_1ldz 1
41 1 . . . parsed_1ldz 1
42 1 . . . parsed_1ldz 1
43 1 . . . parsed_1ldz 1
44 1 . . . parsed_1ldz 1
45 1 . . . parsed_1ldz 1
46 1 . . . parsed_1ldz 1
47 1 . . . parsed_1ldz 1
48 1 . . . parsed_1ldz 1
49 1 . . . parsed_1ldz 1
50 1 . . . parsed_1ldz 1
51 1 . . . parsed_1ldz 1
52 1 . . . parsed_1ldz 1
53 1 . . . parsed_1ldz 1
54 1 . . . parsed_1ldz 1
55 1 . . . parsed_1ldz 1
56 1 . . . parsed_1ldz 1
57 1 . . . parsed_1ldz 1
58 1 . . . parsed_1ldz 1
59 1 . . . parsed_1ldz 1
60 1 . . . parsed_1ldz 1
61 1 . . . parsed_1ldz 1
62 1 . . . parsed_1ldz 1
63 1 . . . parsed_1ldz 1
64 1 . . . parsed_1ldz 1
65 1 . . . parsed_1ldz 1
66 1 . . . parsed_1ldz 1
67 1 . . . parsed_1ldz 1
68 1 . . . parsed_1ldz 1
69 1 . . . parsed_1ldz 1
70 1 . . . parsed_1ldz 1
71 1 . . . parsed_1ldz 1
72 1 . . . parsed_1ldz 1
73 1 . . . parsed_1ldz 1
74 1 . . . parsed_1ldz 1
75 1 . . . parsed_1ldz 1
76 1 . . . parsed_1ldz 1
77 1 . . . parsed_1ldz 1
78 1 . . . parsed_1ldz 1
79 1 . . . parsed_1ldz 1
80 1 . . . parsed_1ldz 1
81 1 . . . parsed_1ldz 1
82 1 . . . parsed_1ldz 1
83 1 . . . parsed_1ldz 1
84 1 . . . parsed_1ldz 1
85 1 . . . parsed_1ldz 1
86 1 . . . parsed_1ldz 1
87 1 . . . parsed_1ldz 1
88 1 . . . parsed_1ldz 1
89 1 . . . parsed_1ldz 1
90 1 . . . parsed_1ldz 1
91 1 . . . parsed_1ldz 1
92 1 . . . parsed_1ldz 1
93 1 . . . parsed_1ldz 1
94 1 . . . parsed_1ldz 1
95 1 . . . parsed_1ldz 1
96 1 . . . parsed_1ldz 1
97 1 . . . parsed_1ldz 1
98 1 . . . parsed_1ldz 1
99 1 . . . parsed_1ldz 1
100 1 . . . parsed_1ldz 1
101 1 . . . parsed_1ldz 1
102 1 . . . parsed_1ldz 1
103 1 . . . parsed_1ldz 1
104 1 . . . parsed_1ldz 1
105 1 . . . parsed_1ldz 1
106 1 . . . parsed_1ldz 1
107 1 . . . parsed_1ldz 1
108 1 . . . parsed_1ldz 1
109 1 . . . parsed_1ldz 1
110 1 . . . parsed_1ldz 1
111 1 . . . parsed_1ldz 1
112 1 . . . parsed_1ldz 1
113 1 . . . parsed_1ldz 1
114 1 . . . parsed_1ldz 1
115 1 . . . parsed_1ldz 1
116 1 . . . parsed_1ldz 1
117 1 . . . parsed_1ldz 1
118 1 . . . parsed_1ldz 1
119 1 . . . parsed_1ldz 1
120 1 . . . parsed_1ldz 1
121 1 . . . parsed_1ldz 1
122 1 . . . parsed_1ldz 1
123 1 . . . parsed_1ldz 1
124 1 . . . parsed_1ldz 1
125 1 . . . parsed_1ldz 1
126 1 . . . parsed_1ldz 1
127 1 . . . parsed_1ldz 1
128 1 . . . parsed_1ldz 1
129 1 . . . parsed_1ldz 1
130 1 . . . parsed_1ldz 1
131 1 . . . parsed_1ldz 1
132 1 . . . parsed_1ldz 1
133 1 . . . parsed_1ldz 1
134 1 . . . parsed_1ldz 1
135 1 . . . parsed_1ldz 1
136 1 . . . parsed_1ldz 1
137 1 . . . parsed_1ldz 1
138 1 . . . parsed_1ldz 1
139 1 . . . parsed_1ldz 1
140 1 . . . parsed_1ldz 1
141 1 . . . parsed_1ldz 1
142 1 . . . parsed_1ldz 1
143 1 . . . parsed_1ldz 1
144 1 . . . parsed_1ldz 1
145 1 . . . parsed_1ldz 1
146 1 . . . parsed_1ldz 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 . . . . . . . . . 1 . H8 parsed_1ldz 1
1 1 2 . . . . . . . . . 1 . H4' parsed_1ldz 1
2 1 1 . . . . . . . . . 1 . H8 parsed_1ldz 1
2 1 2 . . . . . . . . . 1 . H5'* parsed_1ldz 1
3 1 1 . . . . . . . . . 1 . H8 parsed_1ldz 1
3 1 2 . . . . . . . . . 2 . H5 parsed_1ldz 1
4 1 1 . . . . . . . . . 1 . H8 parsed_1ldz 1
4 1 2 . . . . . . . . . 1 . H3' parsed_1ldz 1
5 1 1 . . . . . . . . . 2 . H6 parsed_1ldz 1
5 1 2 . . . . . . . . . 1 . H1' parsed_1ldz 1
6 1 1 . . . . . . . . . 2 . H6 parsed_1ldz 1
6 1 2 . . . . . . . . . 1 . H2'' parsed_1ldz 1
7 1 1 . . . . . . . . . 2 . H6 parsed_1ldz 1
7 1 2 . . . . . . . . . 2 . H5'* parsed_1ldz 1
8 1 1 . . . . . . . . . 4 . H8 parsed_1ldz 1
8 1 2 . . . . . . . . . 5 . H5 parsed_1ldz 1
9 1 1 . . . . . . . . . 4 . H8 parsed_1ldz 1
9 1 2 . . . . . . . . . 3 . H2'' parsed_1ldz 1
10 1 1 . . . . . . . . . 4 . H8 parsed_1ldz 1
10 1 2 . . . . . . . . . 4 . H5'* parsed_1ldz 1
11 1 1 . . . . . . . . . 5 . H6 parsed_1ldz 1
11 1 2 . . . . . . . . . 4 . H1' parsed_1ldz 1
12 1 1 . . . . . . . . . 5 . H6 parsed_1ldz 1
12 1 2 . . . . . . . . . 6 . H5 parsed_1ldz 1
13 1 1 . . . . . . . . . 5 . H6 parsed_1ldz 1
13 1 2 . . . . . . . . . 5 . H5'* parsed_1ldz 1
14 1 1 . . . . . . . . . 5 . H6 parsed_1ldz 1
14 1 2 . . . . . . . . . 5 . H3' parsed_1ldz 1
15 1 1 . . . . . . . . . 6 . H6 parsed_1ldz 1
15 1 2 . . . . . . . . . 5 . H5 parsed_1ldz 1
16 1 1 . . . . . . . . . 7 . H8 parsed_1ldz 1
16 1 2 . . . . . . . . . 6 . H2'' parsed_1ldz 1
17 1 1 . . . . . . . . . 8 . H8 parsed_1ldz 1
17 1 2 . . . . . . . . . 7 . H1' parsed_1ldz 1
18 1 1 . . . . . . . . . 8 . H8 parsed_1ldz 1
18 1 2 . . . . . . . . . 10 . H1' parsed_1ldz 1
19 1 1 . . . . . . . . . 9 . H8 parsed_1ldz 1
19 1 2 . . . . . . . . . 9 . H5'* parsed_1ldz 1
20 1 1 . . . . . . . . . 10 . H6 parsed_1ldz 1
20 1 2 . . . . . . . . . 11 . H5 parsed_1ldz 1
21 1 1 . . . . . . . . . 10 . H6 parsed_1ldz 1
21 1 2 . . . . . . . . . 9 . H4' parsed_1ldz 1
22 1 1 . . . . . . . . . 11 . H6 parsed_1ldz 1
22 1 2 . . . . . . . . . 10 . H1' parsed_1ldz 1
23 1 1 . . . . . . . . . 11 . H6 parsed_1ldz 1
23 1 2 . . . . . . . . . 10 . H2'' parsed_1ldz 1
24 1 1 . . . . . . . . . 12 . H8 parsed_1ldz 1
24 1 2 . . . . . . . . . 11 . H1' parsed_1ldz 1
25 1 1 . . . . . . . . . 12 . H8 parsed_1ldz 1
25 1 2 . . . . . . . . . 11 . H2'' parsed_1ldz 1
26 1 1 . . . . . . . . . 12 . H8 parsed_1ldz 1
26 1 2 . . . . . . . . . 12 . H3' parsed_1ldz 1
27 1 1 . . . . . . . . . 12 . H8 parsed_1ldz 1
27 1 2 . . . . . . . . . 12 . H5'* parsed_1ldz 1
28 1 1 . . . . . . . . . 13 . H8 parsed_1ldz 1
28 1 2 . . . . . . . . . 12 . H1' parsed_1ldz 1
29 1 1 . . . . . . . . . 13 . H8 parsed_1ldz 1
29 1 2 . . . . . . . . . 14 . H5 parsed_1ldz 1
30 1 1 . . . . . . . . . 13 . H8 parsed_1ldz 1
30 1 2 . . . . . . . . . 12 . H2'' parsed_1ldz 1
31 1 1 . . . . . . . . . 13 . H8 parsed_1ldz 1
31 1 2 . . . . . . . . . 13 . H5'* parsed_1ldz 1
32 1 1 . . . . . . . . . 13 . H8 parsed_1ldz 1
32 1 2 . . . . . . . . . 13 . H3' parsed_1ldz 1
33 1 1 . . . . . . . . . 14 . H6 parsed_1ldz 1
33 1 2 . . . . . . . . . 13 . H1' parsed_1ldz 1
34 1 1 . . . . . . . . . 14 . H6 parsed_1ldz 1
34 1 2 . . . . . . . . . 14 . H5'* parsed_1ldz 1
35 1 1 . . . . . . . . . 15 . H8 parsed_1ldz 1
35 1 2 . . . . . . . . . 14 . H1' parsed_1ldz 1
36 1 1 . . . . . . . . . 15 . H8 parsed_1ldz 1
36 1 2 . . . . . . . . . 14 . H2'' parsed_1ldz 1
37 1 1 . . . . . . . . . 15 . H8 parsed_1ldz 1
37 1 2 . . . . . . . . . 15 . H5'* parsed_1ldz 1
38 1 1 . . . . . . . . . 15 . H8 parsed_1ldz 1
38 1 2 . . . . . . . . . 14 . H5 parsed_1ldz 1
39 1 1 . . . . . . . . . 15 . H8 parsed_1ldz 1
39 1 2 . . . . . . . . . 15 . H3' parsed_1ldz 1
40 1 1 . . . . . . . . . 16 . H8 parsed_1ldz 1
40 1 2 . . . . . . . . . 16 . H4' parsed_1ldz 1
41 1 1 . . . . . . . . . 16 . H8 parsed_1ldz 1
41 1 2 . . . . . . . . . 16 . H5'* parsed_1ldz 1
42 1 1 . . . . . . . . . 16 . H8 parsed_1ldz 1
42 1 2 . . . . . . . . . 15 . H1' parsed_1ldz 1
43 1 1 . . . . . . . . . 16 . H8 parsed_1ldz 1
43 1 2 . . . . . . . . . 15 . H3' parsed_1ldz 1
44 1 1 . . . . . . . . . 16 . H8 parsed_1ldz 1
44 1 2 . . . . . . . . . 15 . H4' parsed_1ldz 1
45 1 1 . . . . . . . . . 17 . H8 parsed_1ldz 1
45 1 2 . . . . . . . . . 17 . H5'* parsed_1ldz 1
46 1 1 . . . . . . . . . 17 . H8 parsed_1ldz 1
46 1 2 . . . . . . . . . 17 . H3' parsed_1ldz 1
47 1 1 . . . . . . . . . 18 . H8 parsed_1ldz 1
47 1 2 . . . . . . . . . 18 . H3' parsed_1ldz 1
48 1 1 . . . . . . . . . 18 . H8 parsed_1ldz 1
48 1 2 . . . . . . . . . 17 . H2'' parsed_1ldz 1
49 1 1 . . . . . . . . . 18 . H8 parsed_1ldz 1
49 1 2 . . . . . . . . . 19 . H1' parsed_1ldz 1
50 1 1 . . . . . . . . . 19 . H8 parsed_1ldz 1
50 1 2 . . . . . . . . . 20 . H5 parsed_1ldz 1
51 1 1 . . . . . . . . . 19 . H8 parsed_1ldz 1
51 1 2 . . . . . . . . . 18 . H3' parsed_1ldz 1
52 1 1 . . . . . . . . . 19 . H8 parsed_1ldz 1
52 1 2 . . . . . . . . . 19 . H5'* parsed_1ldz 1
53 1 1 . . . . . . . . . 19 . H8 parsed_1ldz 1
53 1 2 . . . . . . . . . 18 . H1' parsed_1ldz 1
54 1 1 . . . . . . . . . 19 . H8 parsed_1ldz 1
54 1 2 . . . . . . . . . 19 . H3' parsed_1ldz 1
55 1 1 . . . . . . . . . 20 . H6 parsed_1ldz 1
55 1 2 . . . . . . . . . 21 . H5 parsed_1ldz 1
56 1 1 . . . . . . . . . 20 . H6 parsed_1ldz 1
56 1 2 . . . . . . . . . 19 . H2'' parsed_1ldz 1
57 1 1 . . . . . . . . . 20 . H6 parsed_1ldz 1
57 1 2 . . . . . . . . . 19 . H1' parsed_1ldz 1
58 1 1 . . . . . . . . . 21 . H6 parsed_1ldz 1
58 1 2 . . . . . . . . . 20 . H2'' parsed_1ldz 1
59 1 1 . . . . . . . . . 21 . H6 parsed_1ldz 1
59 1 2 . . . . . . . . . 20 . H1' parsed_1ldz 1
60 1 1 . . . . . . . . . 22 . H8 parsed_1ldz 1
60 1 2 . . . . . . . . . 22 . H5'* parsed_1ldz 1
61 1 1 . . . . . . . . . 22 . H8 parsed_1ldz 1
61 1 2 . . . . . . . . . 21 . H1' parsed_1ldz 1
62 1 1 . . . . . . . . . 23 . H8 parsed_1ldz 1
62 1 2 . . . . . . . . . 22 . H1' parsed_1ldz 1
63 1 1 . . . . . . . . . 23 . H8 parsed_1ldz 1
63 1 2 . . . . . . . . . 22 . H2'' parsed_1ldz 1
64 1 1 . . . . . . . . . 23 . H8 parsed_1ldz 1
64 1 2 . . . . . . . . . 23 . H5'* parsed_1ldz 1
65 1 1 . . . . . . . . . 24 . H8 parsed_1ldz 1
65 1 2 . . . . . . . . . 23 . H2'' parsed_1ldz 1
66 1 1 . . . . . . . . . 25 . H8 parsed_1ldz 1
66 1 2 . . . . . . . . . 24 . H1' parsed_1ldz 1
67 1 1 . . . . . . . . . 25 . H8 parsed_1ldz 1
67 1 2 . . . . . . . . . 25 . H5'* parsed_1ldz 1
68 1 1 . . . . . . . . . 25 . H8 parsed_1ldz 1
68 1 2 . . . . . . . . . 25 . H3' parsed_1ldz 1
69 1 1 . . . . . . . . . 26 . H8 parsed_1ldz 1
69 1 2 . . . . . . . . . 25 . H1' parsed_1ldz 1
70 1 1 . . . . . . . . . 26 . H8 parsed_1ldz 1
70 1 2 . . . . . . . . . 27 . H5 parsed_1ldz 1
71 1 1 . . . . . . . . . 26 . H8 parsed_1ldz 1
71 1 2 . . . . . . . . . 25 . H2'' parsed_1ldz 1
72 1 1 . . . . . . . . . 26 . H8 parsed_1ldz 1
72 1 2 . . . . . . . . . 26 . H5'* parsed_1ldz 1
73 1 1 . . . . . . . . . 29 . H8 parsed_1ldz 1
73 1 2 . . . . . . . . . 30 . H5 parsed_1ldz 1
74 1 1 . . . . . . . . . 30 . H6 parsed_1ldz 1
74 1 2 . . . . . . . . . 29 . H2'' parsed_1ldz 1
75 1 1 . . . . . . . . . 30 . H6 parsed_1ldz 1
75 1 2 . . . . . . . . . 30 . H5'* parsed_1ldz 1
76 1 1 . . . . . . . . . 30 . H6 parsed_1ldz 1
76 1 2 . . . . . . . . . 29 . H1' parsed_1ldz 1
77 1 1 . . . . . . . . . 4 . H2 parsed_1ldz 1
77 1 2 . . . . . . . . . 28 . H1' parsed_1ldz 1
78 1 1 . . . . . . . . . 4 . H2 parsed_1ldz 1
78 1 2 . . . . . . . . . 5 . H1' parsed_1ldz 1
79 1 1 . . . . . . . . . 12 . H2 parsed_1ldz 1
79 1 2 . . . . . . . . . 22 . H1' parsed_1ldz 1
80 1 1 . . . . . . . . . 12 . H2 parsed_1ldz 1
80 1 2 . . . . . . . . . 13 . H1' parsed_1ldz 1
81 1 1 . . . . . . . . . 16 . H2 parsed_1ldz 1
81 1 2 . . . . . . . . . 17 . H1' parsed_1ldz 1
82 1 1 . . . . . . . . . 17 . H2 parsed_1ldz 1
82 1 2 . . . . . . . . . 18 . H1' parsed_1ldz 1
83 1 1 . . . . . . . . . 18 . H2 parsed_1ldz 1
83 1 2 . . . . . . . . . 17 . H1' parsed_1ldz 1
84 1 1 . . . . . . . . . 18 . H2 parsed_1ldz 1
84 1 2 . . . . . . . . . 19 . H1' parsed_1ldz 1
85 1 1 . . . . . . . . . 18 . H2 parsed_1ldz 1
85 1 2 . . . . . . . . . 18 . H1' parsed_1ldz 1
86 1 1 . . . . . . . . . 25 . H2 parsed_1ldz 1
86 1 2 . . . . . . . . . 7 . H1' parsed_1ldz 1
87 1 1 . . . . . . . . . 20 . H5 parsed_1ldz 1
87 1 2 . . . . . . . . . 21 . H5 parsed_1ldz 1
88 1 1 . . . . . . . . . 20 . H5 parsed_1ldz 1
88 1 2 . . . . . . . . . 19 . H4' parsed_1ldz 1
89 1 1 . . . . . . . . . 20 . H5 parsed_1ldz 1
89 1 2 . . . . . . . . . 19 . H3' parsed_1ldz 1
90 1 1 . . . . . . . . . 21 . H5 parsed_1ldz 1
90 1 2 . . . . . . . . . 20 . H6 parsed_1ldz 1
91 1 1 . . . . . . . . . 21 . H5 parsed_1ldz 1
91 1 2 . . . . . . . . . 20 . H3' parsed_1ldz 1
92 1 1 . . . . . . . . . 27 . H5 parsed_1ldz 1
92 1 2 . . . . . . . . . 28 . H5 parsed_1ldz 1
93 1 1 . . . . . . . . . 27 . H5 parsed_1ldz 1
93 1 2 . . . . . . . . . 26 . H1' parsed_1ldz 1
94 1 1 . . . . . . . . . 2 . H5 parsed_1ldz 1
94 1 2 . . . . . . . . . 1 . H1' parsed_1ldz 1
95 1 1 . . . . . . . . . 2 . H5 parsed_1ldz 1
95 1 2 . . . . . . . . . 1 . H3' parsed_1ldz 1
96 1 1 . . . . . . . . . 5 . H5 parsed_1ldz 1
96 1 2 . . . . . . . . . 6 . H5 parsed_1ldz 1
97 1 1 . . . . . . . . . 11 . H5 parsed_1ldz 1
97 1 2 . . . . . . . . . 11 . H3' parsed_1ldz 1
98 1 1 . . . . . . . . . 14 . H5 parsed_1ldz 1
98 1 2 . . . . . . . . . 13 . H3' parsed_1ldz 1
99 1 1 . . . . . . . . . 28 . H5 parsed_1ldz 1
99 1 2 . . . . . . . . . 27 . H1' parsed_1ldz 1
100 1 1 . . . . . . . . . 30 . H5 parsed_1ldz 1
100 1 2 . . . . . . . . . 29 . H3' parsed_1ldz 1
101 1 1 . . . . . . . . . 2 . H1' parsed_1ldz 1
101 1 2 . . . . . . . . . 1 . H2'' parsed_1ldz 1
102 1 1 . . . . . . . . . 4 . H1' parsed_1ldz 1
102 1 2 . . . . . . . . . 5 . H1' parsed_1ldz 1
103 1 1 . . . . . . . . . 5 . H1' parsed_1ldz 1
103 1 2 . . . . . . . . . 4 . H2'' parsed_1ldz 1
104 1 1 . . . . . . . . . 7 . H1' parsed_1ldz 1
104 1 2 . . . . . . . . . 6 . H2'' parsed_1ldz 1
105 1 1 . . . . . . . . . 17 . H1' parsed_1ldz 1
105 1 2 . . . . . . . . . 16 . H2'' parsed_1ldz 1
106 1 1 . . . . . . . . . 18 . H1' parsed_1ldz 1
106 1 2 . . . . . . . . . 17 . H1' parsed_1ldz 1
107 1 1 . . . . . . . . . 25 . H1' parsed_1ldz 1
107 1 2 . . . . . . . . . 24 . H2'' parsed_1ldz 1
108 1 1 . . . . . . . . . 26 . H1' parsed_1ldz 1
108 1 2 . . . . . . . . . 25 . H2 parsed_1ldz 1
109 1 1 . . . . . . . . . 26 . H1' parsed_1ldz 1
109 1 2 . . . . . . . . . 25 . H2'' parsed_1ldz 1
110 1 1 . . . . . . . . . 24 . H4' parsed_1ldz 1
110 1 2 . . . . . . . . . 24 . H8 parsed_1ldz 1
111 1 1 . . . . . . . . . 25 . H4' parsed_1ldz 1
111 1 2 . . . . . . . . . 26 . H8 parsed_1ldz 1
112 1 1 . . . . . . . . . 19 . H4' parsed_1ldz 1
112 1 2 . . . . . . . . . 18 . H1' parsed_1ldz 1
113 1 1 . . . . . . . . . 18 . H4' parsed_1ldz 1
113 1 2 . . . . . . . . . 18 . H8 parsed_1ldz 1
114 1 1 . . . . . . . . . 6 . H4' parsed_1ldz 1
114 1 2 . . . . . . . . . 6 . H6 parsed_1ldz 1
115 1 1 . . . . . . . . . 18 . H2'' parsed_1ldz 1
115 1 2 . . . . . . . . . 18 . H8 parsed_1ldz 1
116 1 1 . . . . . . . . . 18 . H2'' parsed_1ldz 1
116 1 2 . . . . . . . . . 19 . H8 parsed_1ldz 1
117 1 1 . . . . . . . . . 18 . H2'' parsed_1ldz 1
117 1 2 . . . . . . . . . 19 . H4' parsed_1ldz 1
118 1 1 . . . . . . . . . 15 . H2'' parsed_1ldz 1
118 1 2 . . . . . . . . . 17 . H8 parsed_1ldz 1
119 1 1 . . . . . . . . . 4 . H2'' parsed_1ldz 1
119 1 2 . . . . . . . . . 5 . H6 parsed_1ldz 1
120 1 1 . . . . . . . . . 7 . H3' parsed_1ldz 1
120 1 2 . . . . . . . . . 8 . H8 parsed_1ldz 1
121 1 1 . . . . . . . . . 20 . H2'' parsed_1ldz 1
121 1 2 . . . . . . . . . 20 . H6 parsed_1ldz 1
122 1 1 . . . . . . . . . 28 . H2'' parsed_1ldz 1
122 1 2 . . . . . . . . . 29 . H8 parsed_1ldz 1
123 1 1 . . . . . . . . . 21 . H2'' parsed_1ldz 1
123 1 2 . . . . . . . . . 22 . H8 parsed_1ldz 1
124 1 1 . . . . . . . . . 13 . H2'' parsed_1ldz 1
124 1 2 . . . . . . . . . 14 . H6 parsed_1ldz 1
125 1 1 . . . . . . . . . 26 . H2'' parsed_1ldz 1
125 1 2 . . . . . . . . . 27 . H6 parsed_1ldz 1
126 1 1 . . . . . . . . . 16 . H3' parsed_1ldz 1
126 1 2 . . . . . . . . . 17 . H8 parsed_1ldz 1
127 1 1 . . . . . . . . . 27 . H3' parsed_1ldz 1
127 1 2 . . . . . . . . . 27 . H6 parsed_1ldz 1
128 1 1 . . . . . . . . . 5 . H2'' parsed_1ldz 1
128 1 2 . . . . . . . . . 6 . H6 parsed_1ldz 1
129 1 1 . . . . . . . . . 8 . H2 parsed_1ldz 1
129 1 2 . . . . . . . . . 25 . H1' parsed_1ldz 1
130 1 1 . . . . . . . . . 8 . H2 parsed_1ldz 1
130 1 2 . . . . . . . . . 9 . H1' parsed_1ldz 1
131 1 1 . . . . . . . . . 8 . H2 parsed_1ldz 1
131 1 2 . . . . . . . . . 10 . H5 parsed_1ldz 1
132 1 1 . . . . . . . . . 24 . H8 parsed_1ldz 1
132 1 2 . . . . . . . . . 25 . H8 parsed_1ldz 1
133 1 1 . . . . . . . . . 8 . H8 parsed_1ldz 1
133 1 2 . . . . . . . . . 7 . H4' parsed_1ldz 1
134 1 1 . . . . . . . . . 24 . H8 parsed_1ldz 1
134 1 2 . . . . . . . . . 24 . H5'* parsed_1ldz 1
135 1 1 . . . . . . . . . 25 . H8 parsed_1ldz 1
135 1 2 . . . . . . . . . 24 . H2'' parsed_1ldz 1
136 1 1 . . . . . . . . . 9 . H1' parsed_1ldz 1
136 1 2 . . . . . . . . . 10 . H5'* parsed_1ldz 1
137 1 1 . . . . . . . . . 9 . H4' parsed_1ldz 1
137 1 2 . . . . . . . . . 10 . H5'* parsed_1ldz 1
138 1 1 . . . . . . . . . 6 . H2'' parsed_1ldz 1
138 1 2 . . . . . . . . . 7 . H5'* parsed_1ldz 1
139 1 1 . . . . . . . . . 7 . H1' parsed_1ldz 1
139 1 2 . . . . . . . . . 8 . H5'* parsed_1ldz 1
140 1 1 . . . . . . . . . 9 . H4' parsed_1ldz 1
140 1 2 . . . . . . . . . 10 . H4' parsed_1ldz 1
141 1 1 . . . . . . . . . 9 . H3' parsed_1ldz 1
141 1 2 . . . . . . . . . 10 . H6 parsed_1ldz 1
142 1 1 . . . . . . . . . 9 . H2'' parsed_1ldz 1
142 1 2 . . . . . . . . . 10 . H5'* parsed_1ldz 1
143 1 1 . . . . . . . . . 9 . H5'* parsed_1ldz 1
143 1 2 . . . . . . . . . 10 . H5'* parsed_1ldz 1
144 1 1 . . . . . . . . . 8 . H5'* parsed_1ldz 1
144 1 2 . . . . . . . . . 8 . H8 parsed_1ldz 1
145 1 1 . . . . . . . . . 8 . H8 parsed_1ldz 1
145 1 2 . . . . . . . . . 8 . H3' parsed_1ldz 1
146 1 1 . . . . . . . . . 9 . H8 parsed_1ldz 1
146 1 2 . . . . . . . . . 7 . H4' parsed_1ldz 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 . . . . . 3.90 0.00 4.70 parsed_1ldz 1
2 1 . . . . . 3.90 0.00 5.70 parsed_1ldz 1
3 1 . . . . . 5.00 0.00 5.80 parsed_1ldz 1
4 1 . . . . . 3.70 0.00 4.20 parsed_1ldz 1
5 1 . . . . . 3.30 0.00 3.80 parsed_1ldz 1
6 1 . . . . . 2.50 0.00 3.00 parsed_1ldz 1
7 1 . . . . . 3.40 0.00 5.20 parsed_1ldz 1
8 1 . . . . . 4.20 0.00 5.00 parsed_1ldz 1
9 1 . . . . . 2.50 0.00 3.00 parsed_1ldz 1
10 1 . . . . . 3.70 0.00 5.50 parsed_1ldz 1
11 1 . . . . . 4.00 0.00 4.50 parsed_1ldz 1
12 1 . . . . . 3.70 0.00 4.20 parsed_1ldz 1
13 1 . . . . . 3.40 0.00 4.90 parsed_1ldz 1
14 1 . . . . . 2.50 0.00 3.00 parsed_1ldz 1
15 1 . . . . . 4.40 0.00 5.20 parsed_1ldz 1
16 1 . . . . . 3.30 0.00 3.80 parsed_1ldz 1
17 1 . . . . . 4.60 0.00 5.40 parsed_1ldz 1
18 1 . . . . . 5.00 0.00 6.20 parsed_1ldz 1
19 1 . . . . . 4.70 0.00 6.90 parsed_1ldz 1
20 1 . . . . . 3.70 0.00 4.50 parsed_1ldz 1
21 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 1
22 1 . . . . . 5.00 0.00 5.00 parsed_1ldz 1
23 1 . . . . . 2.70 0.00 3.20 parsed_1ldz 1
24 1 . . . . . 4.30 0.00 5.10 parsed_1ldz 1
25 1 . . . . . 2.70 0.00 3.20 parsed_1ldz 1
26 1 . . . . . 3.60 0.00 4.10 parsed_1ldz 1
27 1 . . . . . 3.60 0.00 5.40 parsed_1ldz 1
28 1 . . . . . 4.40 0.00 5.20 parsed_1ldz 1
29 1 . . . . . 3.80 0.00 4.30 parsed_1ldz 1
30 1 . . . . . 2.60 0.00 3.10 parsed_1ldz 1
31 1 . . . . . 3.60 0.00 5.40 parsed_1ldz 1
32 1 . . . . . 4.10 0.00 4.90 parsed_1ldz 1
33 1 . . . . . 4.10 0.00 4.90 parsed_1ldz 1
34 1 . . . . . 4.00 0.00 5.80 parsed_1ldz 1
35 1 . . . . . 4.30 0.00 5.10 parsed_1ldz 1
36 1 . . . . . 2.70 0.00 3.20 parsed_1ldz 1
37 1 . . . . . 3.60 0.00 5.40 parsed_1ldz 1
38 1 . . . . . 3.90 0.00 4.40 parsed_1ldz 1
39 1 . . . . . 2.70 0.00 3.20 parsed_1ldz 1
40 1 . . . . . 3.90 0.00 4.70 parsed_1ldz 1
41 1 . . . . . 3.90 0.00 5.40 parsed_1ldz 1
42 1 . . . . . 5.40 0.00 6.20 parsed_1ldz 1
43 1 . . . . . 4.70 0.00 6.20 parsed_1ldz 1
44 1 . . . . . 4.80 0.00 5.60 parsed_1ldz 1
45 1 . . . . . 3.60 0.00 5.10 parsed_1ldz 1
46 1 . . . . . 2.70 0.00 3.20 parsed_1ldz 1
47 1 . . . . . 2.80 0.00 3.30 parsed_1ldz 1
48 1 . . . . . 3.20 0.00 3.70 parsed_1ldz 1
49 1 . . . . . 4.00 0.00 4.50 parsed_1ldz 1
50 1 . . . . . 4.20 0.00 5.40 parsed_1ldz 1
51 1 . . . . . 4.30 0.00 5.80 parsed_1ldz 1
52 1 . . . . . 3.30 0.00 4.80 parsed_1ldz 1
53 1 . . . . . 5.50 0.00 6.30 parsed_1ldz 1
54 1 . . . . . 3.00 0.00 3.50 parsed_1ldz 1
55 1 . . . . . 4.40 0.00 5.60 parsed_1ldz 1
56 1 . . . . . 2.80 0.00 3.30 parsed_1ldz 1
57 1 . . . . . 3.90 0.00 4.40 parsed_1ldz 1
58 1 . . . . . 2.20 0.00 2.70 parsed_1ldz 1
59 1 . . . . . 3.60 0.00 4.10 parsed_1ldz 1
60 1 . . . . . 3.40 0.00 5.20 parsed_1ldz 1
61 1 . . . . . 5.00 0.00 5.00 parsed_1ldz 1
62 1 . . . . . 4.20 0.00 5.00 parsed_1ldz 1
63 1 . . . . . 2.90 0.00 3.40 parsed_1ldz 1
64 1 . . . . . 3.50 0.00 5.30 parsed_1ldz 1
65 1 . . . . . 2.90 0.00 3.40 parsed_1ldz 1
66 1 . . . . . 4.30 0.00 5.10 parsed_1ldz 1
67 1 . . . . . 3.80 0.00 5.30 parsed_1ldz 1
68 1 . . . . . 4.00 0.00 4.80 parsed_1ldz 1
69 1 . . . . . 4.30 0.00 5.10 parsed_1ldz 1
70 1 . . . . . 3.80 0.00 4.30 parsed_1ldz 1
71 1 . . . . . 3.10 0.00 3.60 parsed_1ldz 1
72 1 . . . . . 3.30 0.00 4.80 parsed_1ldz 1
73 1 . . . . . 3.80 0.00 4.30 parsed_1ldz 1
74 1 . . . . . 2.80 0.00 3.30 parsed_1ldz 1
75 1 . . . . . 3.10 0.00 4.60 parsed_1ldz 1
76 1 . . . . . 4.00 0.00 4.80 parsed_1ldz 1
77 1 . . . . . 3.70 0.00 4.20 parsed_1ldz 1
78 1 . . . . . 3.70 0.00 4.20 parsed_1ldz 1
79 1 . . . . . 3.90 0.00 4.70 parsed_1ldz 1
80 1 . . . . . 3.80 0.00 4.60 parsed_1ldz 1
81 1 . . . . . 3.80 0.00 4.60 parsed_1ldz 1
82 1 . . . . . 3.70 0.00 5.50 parsed_1ldz 1
83 1 . . . . . 4.60 0.00 5.80 parsed_1ldz 1
84 1 . . . . . 4.80 0.00 6.60 parsed_1ldz 1
85 1 . . . . . 5.00 0.00 6.80 parsed_1ldz 1
86 1 . . . . . 4.40 0.00 6.60 parsed_1ldz 1
87 1 . . . . . 4.30 0.00 5.50 parsed_1ldz 1
88 1 . . . . . 4.40 0.00 5.60 parsed_1ldz 1
89 1 . . . . . 3.10 0.00 3.60 parsed_1ldz 1
90 1 . . . . . 4.20 0.00 5.40 parsed_1ldz 1
91 1 . . . . . 4.10 0.00 5.30 parsed_1ldz 1
92 1 . . . . . 4.20 0.00 5.40 parsed_1ldz 1
93 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 1
94 1 . . . . . 3.80 0.00 4.30 parsed_1ldz 1
95 1 . . . . . 3.80 0.00 4.60 parsed_1ldz 1
96 1 . . . . . 3.70 0.00 4.50 parsed_1ldz 1
97 1 . . . . . 4.20 0.00 5.40 parsed_1ldz 1
98 1 . . . . . 3.90 0.00 4.70 parsed_1ldz 1
99 1 . . . . . 3.90 0.00 4.70 parsed_1ldz 1
100 1 . . . . . 4.70 0.00 5.90 parsed_1ldz 1
101 1 . . . . . 4.20 0.00 5.40 parsed_1ldz 1
102 1 . . . . . 4.40 0.00 5.20 parsed_1ldz 1
103 1 . . . . . 4.80 0.00 5.60 parsed_1ldz 1
104 1 . . . . . 4.40 0.00 5.60 parsed_1ldz 1
105 1 . . . . . 3.70 0.00 4.50 parsed_1ldz 1
106 1 . . . . . 3.80 0.00 4.30 parsed_1ldz 1
107 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 1
108 1 . . . . . 3.20 0.00 4.70 parsed_1ldz 1
109 1 . . . . . 3.80 0.00 4.60 parsed_1ldz 1
110 1 . . . . . 4.50 0.00 5.70 parsed_1ldz 1
111 1 . . . . . 4.00 0.00 5.20 parsed_1ldz 1
112 1 . . . . . 4.60 0.00 5.80 parsed_1ldz 1
113 1 . . . . . 3.90 0.00 4.70 parsed_1ldz 1
114 1 . . . . . 3.80 0.00 4.60 parsed_1ldz 1
115 1 . . . . . 3.40 0.00 4.20 parsed_1ldz 1
116 1 . . . . . 3.60 0.00 4.40 parsed_1ldz 1
117 1 . . . . . 2.70 0.00 3.20 parsed_1ldz 1
118 1 . . . . . 3.60 0.00 4.10 parsed_1ldz 1
119 1 . . . . . 2.80 0.00 3.30 parsed_1ldz 1
120 1 . . . . . 3.60 0.00 4.40 parsed_1ldz 1
121 1 . . . . . 3.60 0.00 4.10 parsed_1ldz 1
122 1 . . . . . 2.70 0.00 3.20 parsed_1ldz 1
123 1 . . . . . 2.70 0.00 3.20 parsed_1ldz 1
124 1 . . . . . 2.90 0.00 3.40 parsed_1ldz 1
125 1 . . . . . 2.70 0.00 3.20 parsed_1ldz 1
126 1 . . . . . 3.00 0.00 4.20 parsed_1ldz 1
127 1 . . . . . 3.10 0.00 3.60 parsed_1ldz 1
128 1 . . . . . 2.70 0.00 3.20 parsed_1ldz 1
129 1 . . . . . 4.60 0.00 6.40 parsed_1ldz 1
130 1 . . . . . 4.10 0.00 5.90 parsed_1ldz 1
131 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 1
132 1 . . . . . 5.10 0.00 5.90 parsed_1ldz 1
133 1 . . . . . 4.50 0.00 4.50 parsed_1ldz 1
134 1 . . . . . 4.50 0.00 5.50 parsed_1ldz 1
135 1 . . . . . 3.50 0.00 3.50 parsed_1ldz 1
136 1 . . . . . 4.50 0.00 5.50 parsed_1ldz 1
137 1 . . . . . 4.50 0.00 5.50 parsed_1ldz 1
138 1 . . . . . 3.50 0.00 4.50 parsed_1ldz 1
139 1 . . . . . 4.50 0.00 5.50 parsed_1ldz 1
140 1 . . . . . 4.50 0.00 4.50 parsed_1ldz 1
141 1 . . . . . 4.50 0.00 4.50 parsed_1ldz 1
142 1 . . . . . 4.50 0.00 5.50 parsed_1ldz 1
143 1 . . . . . 4.50 0.00 7.30 parsed_1ldz 1
144 1 . . . . . 4.50 0.00 5.50 parsed_1ldz 1
145 1 . . . . . 3.60 0.00 4.10 parsed_1ldz 1
146 1 . . . . . 4.50 0.00 5.70 parsed_1ldz 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
;
NOE Constraints
File lz2_d2onoe_v5.ed
CGH 10/26/96 based on Notebook #4 pp. 13-18
CGH 04/17/97 Cribo from NB # 5 pp. 28-30
CGH 05/13/97 CCH-NOE and misc. changes from NB #5 pp. 54-
CGH 05/16/97 Misc. corrections NB#5 p. 60
CGH 06/04/97 Misc. changes NB #5 p. 84
CGH 06/13/97 remove seq. arom-H1' from 3D only NB #5 p. 97, replace 10s 6/14
;
2 1 12 78 parsed_1ldz 1
2 "begin 4/97 work" 113 1 113 17 parsed_1ldz 1
3
;
miscellaneous additions p. 31+
BD-NOESY(arom-H1'), 35c
;
142 1 143 25 parsed_1ldz 1
4 "Add C-C-H NOE analysis NB #5 p. 54" 148 1 148 36 parsed_1ldz 1
5 "ambiguous peaks assigned by consistency 6/4/97" 161 1 161 48 parsed_1ldz 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ldz
_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_1ldz 2
2 1 . . . parsed_1ldz 2
3 1 . . . parsed_1ldz 2
4 1 . . . parsed_1ldz 2
5 1 . . . parsed_1ldz 2
6 1 . . . parsed_1ldz 2
7 1 . . . parsed_1ldz 2
8 1 . . . parsed_1ldz 2
9 1 . . . parsed_1ldz 2
10 1 . . . parsed_1ldz 2
11 1 . . . parsed_1ldz 2
12 1 . . . parsed_1ldz 2
13 1 . . . parsed_1ldz 2
14 1 . . . parsed_1ldz 2
15 1 . . . parsed_1ldz 2
16 1 . . . parsed_1ldz 2
17 1 . . . parsed_1ldz 2
18 1 . . . parsed_1ldz 2
19 1 . . . parsed_1ldz 2
20 1 . . . parsed_1ldz 2
21 1 . . . parsed_1ldz 2
22 1 . . . parsed_1ldz 2
23 1 . . . parsed_1ldz 2
24 1 . . . parsed_1ldz 2
25 1 . . . parsed_1ldz 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 . . . . . . . . . 13 . h1 parsed_1ldz 2
1 1 2 . . . . . . . . . 20 . h3 parsed_1ldz 2
2 1 1 . . . . . . . . . 27 . h3 parsed_1ldz 2
2 1 2 . . . . . . . . . 26 . h1 parsed_1ldz 2
3 1 1 . . . . . . . . . 27 . h3 parsed_1ldz 2
3 1 2 . . . . . . . . . 3 . h1 parsed_1ldz 2
4 1 1 . . . . . . . . . 21 . h3 parsed_1ldz 2
4 1 2 . . . . . . . . . 22 . h1 parsed_1ldz 2
5 1 1 . . . . . . . . . 21 . h3 parsed_1ldz 2
5 1 2 . . . . . . . . . 20 . h3 parsed_1ldz 2
6 1 1 . . . . . . . . . 21 . h3 parsed_1ldz 2
6 1 2 . . . . . . . . . 13 . h1 parsed_1ldz 2
7 1 1 . . . . . . . . . 19 . h1 parsed_1ldz 2
7 1 2 . . . . . . . . . 20 . h3 parsed_1ldz 2
8 1 1 . . . . . . . . . 19 . h1 parsed_1ldz 2
8 1 2 . . . . . . . . . 13 . h1 parsed_1ldz 2
9 1 1 . . . . . . . . . 23 . h1 parsed_1ldz 2
9 1 2 . . . . . . . . . 22 . h1 parsed_1ldz 2
10 1 1 . . . . . . . . . 3 . h1 parsed_1ldz 2
10 1 2 . . . . . . . . . 29 . h1 parsed_1ldz 2
11 1 1 . . . . . . . . . 19 . h1 parsed_1ldz 2
11 1 2 . . . . . . . . . 15 . h1 parsed_1ldz 2
12 1 1 . . . . . . . . . 4 . h2 parsed_1ldz 2
12 1 2 . . . . . . . . . 27 . h3 parsed_1ldz 2
13 1 1 . . . . . . . . . 12 . h2 parsed_1ldz 2
13 1 2 . . . . . . . . . 21 . h3 parsed_1ldz 2
14 1 1 . . . . . . . . . 1 . h1 parsed_1ldz 2
14 1 2 . . . . . . . . . 30 . n4 parsed_1ldz 2
15 1 1 . . . . . . . . . 26 . h1 parsed_1ldz 2
15 1 2 . . . . . . . . . 5 . n4 parsed_1ldz 2
16 1 1 . . . . . . . . . 19 . h1 parsed_1ldz 2
16 1 2 . . . . . . . . . 14 . n4 parsed_1ldz 2
17 1 1 . . . . . . . . . 29 . h1 parsed_1ldz 2
17 1 2 . . . . . . . . . 2 . n4 parsed_1ldz 2
18 1 1 . . . . . . . . . 23 . h1 parsed_1ldz 2
18 1 2 . . . . . . . . . 10 . n4 parsed_1ldz 2
19 1 1 . . . . . . . . . 3 . h1 parsed_1ldz 2
19 1 2 . . . . . . . . . 28 . n4 parsed_1ldz 2
20 1 1 . . . . . . . . . 22 . h1 parsed_1ldz 2
20 1 2 . . . . . . . . . 11 . n4 parsed_1ldz 2
21 1 1 . . . . . . . . . 15 . n2 parsed_1ldz 2
21 1 2 . . . . . . . . . 18 . h8 parsed_1ldz 2
22 1 1 . . . . . . . . . 15 . n2 parsed_1ldz 2
22 1 2 . . . . . . . . . 17 . h8 parsed_1ldz 2
23 1 1 . . . . . . . . . 13 . n2 parsed_1ldz 2
23 1 2 . . . . . . . . . 19 . h1 parsed_1ldz 2
24 1 1 . . . . . . . . . 13 . n2 parsed_1ldz 2
24 1 2 . . . . . . . . . 21 . h3 parsed_1ldz 2
25 1 1 . . . . . . . . . 13 . n2 parsed_1ldz 2
25 1 2 . . . . . . . . . 20 . h3 parsed_1ldz 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.00 0.00 4.00 parsed_1ldz 2
2 1 . . . . . 4.20 0.00 5.80 parsed_1ldz 2
3 1 . . . . . 4.20 0.00 5.80 parsed_1ldz 2
4 1 . . . . . 4.20 0.00 5.80 parsed_1ldz 2
5 1 . . . . . 4.20 0.00 5.80 parsed_1ldz 2
6 1 . . . . . 4.20 0.00 5.80 parsed_1ldz 2
7 1 . . . . . 4.20 0.00 5.80 parsed_1ldz 2
8 1 . . . . . 4.20 0.00 5.80 parsed_1ldz 2
9 1 . . . . . 4.20 0.00 5.80 parsed_1ldz 2
10 1 . . . . . 4.20 0.00 5.80 parsed_1ldz 2
11 1 . . . . . 4.20 0.00 6.50 parsed_1ldz 2
12 1 . . . . . 2.80 0.00 4.00 parsed_1ldz 2
13 1 . . . . . 2.80 0.00 4.00 parsed_1ldz 2
14 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 2
15 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 2
16 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 2
17 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 2
18 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 2
19 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 2
20 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 2
21 1 . . . . . 3.90 0.00 6.50 parsed_1ldz 2
22 1 . . . . . 3.90 0.00 6.50 parsed_1ldz 2
23 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 2
24 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 2
25 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 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
;
file lz2_h2o_1.noe 6/13/94
modified 9/5/94
modified 9/30/94 to replace amino
protons by their attached nitrogen
This file contains the distances derived from the observed NOE
at 300 ms in H2O (lz2noe082094.mat )
Turned off G26NH to C6NH2 and G19NH to A18NH2
Modified 10/16/94 add a17h8 to g15n2
Modified 11/07/94 add assign (residue 25 and name H2 ) (residue 5 and name N4 ) 3.90 2.10 2.10
05/23/95 Loosen up constraints for G15, A16, A17, A18 1.8 to 6.5 A unless short distance
(usually 1.8 to 4.0)
1. Imino to imino NOEs (direct distances(or indirect spin diffusion
through NH2 group: 1.8 - 6.8 Angstrom except
for GU base pair 1.8 to 4.0 Angstrom )
;
1 1 25 5 parsed_1ldz 2
2 "2. U imino to AH2 NOEs (direct distances: 1.8 - 4.0 Angstrom )" 37 1 41 5 parsed_1ldz 2
3
;
3. G imino to CNH2 NOEs (direct distances: 1.8 - 5.0 Angstrom
for all h41 in GC base pair except
G26-C5 and G23-C10
through spin-diffusion?: 1.8 - 6.8 A
for all h42 and for h41 in
G26-C5 and G23-C10 )
1.8 - 6 A for all G imino to CN
;
44 1 55 5 parsed_1ldz 2
4
;
4. G15 imino to ... NOEs (indirect distances involving NH2 group:
1.8 - 5.0(6.0 ) Angstrom )
based on data and GAAA structure
G15 N2 to .. 1.8 - 6 A
;
65 1 75 5 parsed_1ldz 2
5
;
5. G13NH2 to ... NOEs (direct distances involving NH2 group:
1.8 - 6.0 Angstrom )
G13N2 to ... 1.8 - 6 A
;
78 1 86 5 parsed_1ldz 2
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ldz
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type "general distance"
_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_1ldz 3
2 1 . . . parsed_1ldz 3
3 1 . . . parsed_1ldz 3
4 1 . . . parsed_1ldz 3
5 1 . . . parsed_1ldz 3
6 1 . . . parsed_1ldz 3
7 1 . . . parsed_1ldz 3
8 1 . . . parsed_1ldz 3
9 1 . . . parsed_1ldz 3
10 1 . . . parsed_1ldz 3
11 1 . . . parsed_1ldz 3
12 1 . . . parsed_1ldz 3
13 1 . . . parsed_1ldz 3
14 1 . . . parsed_1ldz 3
15 1 . . . parsed_1ldz 3
16 1 . . . parsed_1ldz 3
17 1 . . . parsed_1ldz 3
18 1 . . . parsed_1ldz 3
19 1 . . . parsed_1ldz 3
20 1 . . . parsed_1ldz 3
21 1 . . . parsed_1ldz 3
22 1 . . . parsed_1ldz 3
23 1 . . . parsed_1ldz 3
24 1 . . . parsed_1ldz 3
25 1 . . . parsed_1ldz 3
26 1 . . . parsed_1ldz 3
27 1 . . . parsed_1ldz 3
28 1 . . . parsed_1ldz 3
29 1 . . . parsed_1ldz 3
30 1 . . . parsed_1ldz 3
31 1 . . . parsed_1ldz 3
32 1 . . . parsed_1ldz 3
33 1 . . . parsed_1ldz 3
34 1 . . . parsed_1ldz 3
35 1 . . . parsed_1ldz 3
36 1 . . . parsed_1ldz 3
37 1 . . . parsed_1ldz 3
38 1 . . . parsed_1ldz 3
39 1 . . . parsed_1ldz 3
40 1 . . . parsed_1ldz 3
41 1 . . . parsed_1ldz 3
42 1 . . . parsed_1ldz 3
43 1 . . . parsed_1ldz 3
44 1 . . . parsed_1ldz 3
45 1 . . . parsed_1ldz 3
46 1 . . . parsed_1ldz 3
47 1 . . . parsed_1ldz 3
48 1 . . . parsed_1ldz 3
49 1 . . . parsed_1ldz 3
50 1 . . . parsed_1ldz 3
51 1 . . . parsed_1ldz 3
52 1 . . . parsed_1ldz 3
53 1 . . . parsed_1ldz 3
54 1 . . . parsed_1ldz 3
55 1 . . . parsed_1ldz 3
56 1 . . . parsed_1ldz 3
57 1 . . . parsed_1ldz 3
58 1 . . . parsed_1ldz 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 . . . . . . . . . 26 . n2 parsed_1ldz 3
1 1 2 . . . . . . . . . 27 . h1' parsed_1ldz 3
2 1 1 . . . . . . . . . 1 . n2 parsed_1ldz 3
2 1 2 . . . . . . . . . 2 . h1' parsed_1ldz 3
3 1 1 . . . . . . . . . 19 . n2 parsed_1ldz 3
3 1 2 . . . . . . . . . 20 . h1' parsed_1ldz 3
4 1 1 . . . . . . . . . 19 . n2 parsed_1ldz 3
4 1 2 . . . . . . . . . 15 . h1' parsed_1ldz 3
5 1 1 . . . . . . . . . 29 . n2 parsed_1ldz 3
5 1 2 . . . . . . . . . 30 . h1' parsed_1ldz 3
6 1 1 . . . . . . . . . 29 . n2 parsed_1ldz 3
6 1 2 . . . . . . . . . 3 . h1' parsed_1ldz 3
7 1 1 . . . . . . . . . 23 . n2 parsed_1ldz 3
7 1 2 . . . . . . . . . 11 . h1' parsed_1ldz 3
8 1 1 . . . . . . . . . 3 . n2 parsed_1ldz 3
8 1 2 . . . . . . . . . 4 . h1' parsed_1ldz 3
9 1 1 . . . . . . . . . 3 . n2 parsed_1ldz 3
9 1 2 . . . . . . . . . 29 . h1' parsed_1ldz 3
10 1 1 . . . . . . . . . 22 . n2 parsed_1ldz 3
10 1 2 . . . . . . . . . 23 . h1' parsed_1ldz 3
11 1 1 . . . . . . . . . 22 . n2 parsed_1ldz 3
11 1 2 . . . . . . . . . 12 . h1' parsed_1ldz 3
12 1 1 . . . . . . . . . 13 . n2 parsed_1ldz 3
12 1 2 . . . . . . . . . 14 . h1' parsed_1ldz 3
13 1 1 . . . . . . . . . 13 . n2 parsed_1ldz 3
13 1 2 . . . . . . . . . 21 . h1' parsed_1ldz 3
14 1 1 . . . . . . . . . 14 . n4 parsed_1ldz 3
14 1 2 . . . . . . . . . 20 . h3 parsed_1ldz 3
15 1 1 . . . . . . . . . 14 . n4 parsed_1ldz 3
15 1 2 . . . . . . . . . 13 . h1 parsed_1ldz 3
16 1 1 . . . . . . . . . 3 . n2 parsed_1ldz 3
16 1 2 . . . . . . . . . 27 . h3 parsed_1ldz 3
17 1 1 . . . . . . . . . 5 . n4 parsed_1ldz 3
17 1 2 . . . . . . . . . 27 . h3 parsed_1ldz 3
18 1 1 . . . . . . . . . 11 . n4 parsed_1ldz 3
18 1 2 . . . . . . . . . 21 . h3 parsed_1ldz 3
19 1 1 . . . . . . . . . 28 . n4 parsed_1ldz 3
19 1 2 . . . . . . . . . 29 . h1 parsed_1ldz 3
20 1 1 . . . . . . . . . 25 . H2 parsed_1ldz 3
20 1 2 . . . . . . . . . 5 . N4 parsed_1ldz 3
21 1 1 . . . . . . . . . 4 . n6 parsed_1ldz 3
21 1 2 . . . . . . . . . 27 . h3 parsed_1ldz 3
22 1 1 . . . . . . . . . 4 . n6 parsed_1ldz 3
22 1 2 . . . . . . . . . 26 . h1 parsed_1ldz 3
23 1 1 . . . . . . . . . 4 . n6 parsed_1ldz 3
23 1 2 . . . . . . . . . 3 . h1 parsed_1ldz 3
24 1 1 . . . . . . . . . 4 . n6 parsed_1ldz 3
24 1 2 . . . . . . . . . 28 . n4 parsed_1ldz 3
25 1 1 . . . . . . . . . 4 . n6 parsed_1ldz 3
25 1 2 . . . . . . . . . 5 . n4 parsed_1ldz 3
26 1 1 . . . . . . . . . 12 . n6 parsed_1ldz 3
26 1 2 . . . . . . . . . 21 . h3 parsed_1ldz 3
27 1 1 . . . . . . . . . 12 . n6 parsed_1ldz 3
27 1 2 . . . . . . . . . 22 . h1 parsed_1ldz 3
28 1 1 . . . . . . . . . 12 . n6 parsed_1ldz 3
28 1 2 . . . . . . . . . 11 . n4 parsed_1ldz 3
29 1 1 . . . . . . . . . 26 . n2 parsed_1ldz 3
29 1 2 . . . . . . . . . 27 . h3 parsed_1ldz 3
30 1 1 . . . . . . . . . 19 . n2 parsed_1ldz 3
30 1 2 . . . . . . . . . 13 . h1 parsed_1ldz 3
31 1 1 . . . . . . . . . 22 . n2 parsed_1ldz 3
31 1 2 . . . . . . . . . 12 . h2 parsed_1ldz 3
32 1 1 . . . . . . . . . 3 . n2 parsed_1ldz 3
32 1 2 . . . . . . . . . 4 . h2 parsed_1ldz 3
33 1 1 . . . . . . . . . 14 . n4 parsed_1ldz 3
33 1 2 . . . . . . . . . 20 . h3 parsed_1ldz 3
34 1 1 . . . . . . . . . 14 . n4 parsed_1ldz 3
34 1 2 . . . . . . . . . 13 . h1 parsed_1ldz 3
35 1 1 . . . . . . . . . 14 . n4 parsed_1ldz 3
35 1 2 . . . . . . . . . 15 . h1 parsed_1ldz 3
36 1 1 . . . . . . . . . 18 . n6 parsed_1ldz 3
36 1 2 . . . . . . . . . 15 . h1' parsed_1ldz 3
37 1 1 . . . . . . . . . 18 . n6 parsed_1ldz 3
37 1 2 . . . . . . . . . 19 . h1 parsed_1ldz 3
38 1 1 . . . . . . . . . 17 . n6 parsed_1ldz 3
38 1 2 . . . . . . . . . 16 . h8 parsed_1ldz 3
39 1 1 . . . . . . . . . 17 . n6 parsed_1ldz 3
39 1 2 . . . . . . . . . 18 . h2 parsed_1ldz 3
40 1 1 . . . . . . . . . 17 . n6 parsed_1ldz 3
40 1 2 . . . . . . . . . 15 . h1' parsed_1ldz 3
41 1 1 . . . . . . . . . 16 . n6 parsed_1ldz 3
41 1 2 . . . . . . . . . 17 . h2 parsed_1ldz 3
42 1 1 . . . . . . . . . 12 . H2 parsed_1ldz 3
42 1 2 . . . . . . . . . 13 . H8 parsed_1ldz 3
43 1 1 . . . . . . . . . 12 . H2 parsed_1ldz 3
43 1 2 . . . . . . . . . 22 . H8 parsed_1ldz 3
44 1 1 . . . . . . . . . 22 . H8 parsed_1ldz 3
44 1 2 . . . . . . . . . 23 . H8 parsed_1ldz 3
45 1 1 . . . . . . . . . 25 . H2 parsed_1ldz 3
45 1 2 . . . . . . . . . 26 . H8 parsed_1ldz 3
46 1 1 . . . . . . . . . 17 . H2 parsed_1ldz 3
46 1 2 . . . . . . . . . 18 . H2 parsed_1ldz 3
47 1 1 . . . . . . . . . 7 . H8 parsed_1ldz 3
47 1 2 . . . . . . . . . 25 . H2 parsed_1ldz 3
48 1 1 . . . . . . . . . 18 . H8 parsed_1ldz 3
48 1 2 . . . . . . . . . 19 . H8 parsed_1ldz 3
49 1 1 . . . . . . . . . 25 . H8 parsed_1ldz 3
49 1 2 . . . . . . . . . 26 . H8 parsed_1ldz 3
50 1 1 . . . . . . . . . 16 . H8 parsed_1ldz 3
50 1 2 . . . . . . . . . 17 . H8 parsed_1ldz 3
51 1 1 . . . . . . . . . 12 . H8 parsed_1ldz 3
51 1 2 . . . . . . . . . 13 . H8 parsed_1ldz 3
52 1 1 . . . . . . . . . 14 . H6 parsed_1ldz 3
52 1 2 . . . . . . . . . 15 . H8 parsed_1ldz 3
53 1 1 . . . . . . . . . 13 . H8 parsed_1ldz 3
53 1 2 . . . . . . . . . 14 . H6 parsed_1ldz 3
54 1 1 . . . . . . . . . 21 . H6 parsed_1ldz 3
54 1 2 . . . . . . . . . 22 . H8 parsed_1ldz 3
55 1 1 . . . . . . . . . 4 . H8 parsed_1ldz 3
55 1 2 . . . . . . . . . 5 . H6 parsed_1ldz 3
56 1 1 . . . . . . . . . 17 . H8 parsed_1ldz 3
56 1 2 . . . . . . . . . 18 . H8 parsed_1ldz 3
57 1 1 . . . . . . . . . 23 . H8 parsed_1ldz 3
57 1 2 . . . . . . . . . 24 . H8 parsed_1ldz 3
58 1 1 . . . . . . . . . 8 . H8 parsed_1ldz 3
58 1 2 . . . . . . . . . 25 . H2 parsed_1ldz 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 . . . . . 3.90 0.00 6.00 parsed_1ldz 3
2 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 3
3 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 3
4 1 . . . . . 3.90 0.00 6.50 parsed_1ldz 3
5 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 3
6 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 3
7 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 3
8 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 3
9 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 3
10 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 3
11 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 3
12 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 3
13 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 3
14 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 3
15 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 3
16 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 3
17 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 3
18 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 3
19 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 3
20 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 3
21 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 3
22 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 3
23 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 3
24 1 . . . . . 4.00 0.00 8.00 parsed_1ldz 3
25 1 . . . . . 4.00 0.00 8.00 parsed_1ldz 3
26 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 3
27 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 3
28 1 . . . . . 4.00 0.00 8.00 parsed_1ldz 3
29 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 3
30 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 3
31 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 3
32 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 3
33 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 3
34 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 3
35 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 3
36 1 . . . . . 3.00 0.00 7.00 parsed_1ldz 3
37 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 3
38 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 3
39 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 3
40 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 3
41 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 3
42 1 . . . . . 4.20 0.00 4.20 parsed_1ldz 3
43 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 3
44 1 . . . . . 4.20 0.00 4.20 parsed_1ldz 3
45 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 3
46 1 . . . . . 3.75 0.00 4.75 parsed_1ldz 3
47 1 . . . . . 4.20 0.00 4.20 parsed_1ldz 3
48 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 3
49 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 3
50 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 3
51 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 3
52 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 3
53 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 3
54 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 3
55 1 . . . . . 3.75 0.00 3.75 parsed_1ldz 3
56 1 . . . . . 4.20 0.00 4.20 parsed_1ldz 3
57 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 3
58 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 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
;
6. G imino to H1' NOEs (indirect distances involving NH2 group:
1.8 - 5.0 Angstrom for residues in helices
formed by 1-4 11-14, 19-22, 27-30
1.8 - 6.8 Angstrom for others )
1.8 - 6 A H1' to G amino nitrogen
;
1 1 8 5 parsed_1ldz 3
2
;
7. G/U imino to other NH2s NOEs (direct distances: 1.8 - 7.0 Angstrom )
imino to amino nitrogen 1.8 - 6 A
;
22 1 29 5 parsed_1ldz 3
3
;
8. Aromatics to NH NOEs (direct distances: 1.8 - 7.0 Angstrom
9. Others
;
36 1 44 5 parsed_1ldz 3
4
;
file lz2_ami2.noe 5/07/95
This file contains the distances derived from the observed NOE
in Luci's spectrum: leadz_cpmg-xy_noe-16c-2.mat and leadz_cpmg-xy_noe_24c.mat
and which have not been observed in other NOESY spectra
ref. Mueller et al. JACS 117, 11043 (1995)
NOESY to amino are defined to the nitrogen
The distance is defined as:
1.8 to 6.0 A involving one amino
1.8 to 7.0 A involving two aminos
except for A18NH2 to G15 H1' (1.8 to 4.0)
The distance is redefined as: (5/7/95)
1.8 to 7.0 A involving one amino
1.8 to 8.0 A involving two aminos
except for A18NH2 to G15 H1' (1.8 to 4.0)
Modified CGH 071195 reset A18<ng2/G15H1' ub to 7.0
ANH2 (in helix)
;
46 1 71 5 parsed_1ldz 3
5 GNH2 80 1 82 5 parsed_1ldz 3
6 CNH2 87 1 88 7 parsed_1ldz 3
7 "ANH2 (in GA3 loop)" 92 1 95 5 parsed_1ldz 3
8
;
file lz2_arbdn_5.noe
8/6/96 CGH
Aromatic-Aromatic NOEs based on BD-NOESY data
9/16/96 remove 7-8, add 8-25, recalibrate CGH
5/13/97 loosen H2-H2 constraint CGH
6/4/97 remove weak constraint to G7 H8 CGH 7/6 restore
;
102 1 109 58 parsed_1ldz 3
9 9/16 126 73 126 78 parsed_1ldz 3
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ldz
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1ldz 4
2 1 . . . parsed_1ldz 4
3 1 . . . parsed_1ldz 4
4 1 . . . parsed_1ldz 4
5 1 . . . parsed_1ldz 4
6 1 . . . parsed_1ldz 4
7 1 . . . parsed_1ldz 4
8 1 . . . parsed_1ldz 4
9 1 . . . parsed_1ldz 4
10 1 . . . parsed_1ldz 4
11 1 . . . parsed_1ldz 4
12 1 . . . parsed_1ldz 4
13 1 . . . parsed_1ldz 4
14 1 . . . parsed_1ldz 4
15 1 . . . parsed_1ldz 4
16 1 . . . parsed_1ldz 4
17 1 . . . parsed_1ldz 4
18 1 . . . parsed_1ldz 4
19 1 . . . parsed_1ldz 4
20 1 . . . parsed_1ldz 4
21 1 . . . parsed_1ldz 4
22 1 . . . parsed_1ldz 4
23 1 . . . parsed_1ldz 4
24 1 . . . parsed_1ldz 4
25 1 . . . parsed_1ldz 4
26 1 . . . parsed_1ldz 4
27 1 . . . parsed_1ldz 4
28 1 . . . parsed_1ldz 4
29 1 . . . parsed_1ldz 4
30 1 . . . parsed_1ldz 4
31 1 . . . parsed_1ldz 4
32 1 . . . parsed_1ldz 4
33 1 . . . parsed_1ldz 4
34 1 . . . parsed_1ldz 4
35 1 . . . parsed_1ldz 4
36 1 . . . parsed_1ldz 4
37 1 . . . parsed_1ldz 4
38 1 . . . parsed_1ldz 4
39 1 . . . parsed_1ldz 4
40 1 . . . parsed_1ldz 4
41 1 . . . parsed_1ldz 4
42 1 . . . parsed_1ldz 4
43 1 . . . parsed_1ldz 4
44 1 . . . parsed_1ldz 4
45 1 . . . parsed_1ldz 4
46 1 . . . parsed_1ldz 4
47 1 . . . parsed_1ldz 4
48 1 . . . parsed_1ldz 4
49 1 . . . parsed_1ldz 4
50 1 . . . parsed_1ldz 4
51 1 . . . parsed_1ldz 4
52 1 . . . parsed_1ldz 4
53 1 . . . parsed_1ldz 4
54 1 . . . parsed_1ldz 4
55 1 . . . parsed_1ldz 4
56 1 . . . parsed_1ldz 4
57 1 . . . parsed_1ldz 4
58 1 . . . parsed_1ldz 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 . . . . . . . . . 1 . O6 parsed_1ldz 4
1 1 2 . . . . . . . . . 30 . H41 parsed_1ldz 4
2 1 1 . . . . . . . . . 1 . O6 parsed_1ldz 4
2 1 2 . . . . . . . . . 30 . N4 parsed_1ldz 4
3 1 1 . . . . . . . . . 1 . H1 parsed_1ldz 4
3 1 2 . . . . . . . . . 30 . N3 parsed_1ldz 4
4 1 1 . . . . . . . . . 1 . N1 parsed_1ldz 4
4 1 2 . . . . . . . . . 30 . N3 parsed_1ldz 4
5 1 1 . . . . . . . . . 1 . H21 parsed_1ldz 4
5 1 2 . . . . . . . . . 30 . O2 parsed_1ldz 4
6 1 1 . . . . . . . . . 1 . N2 parsed_1ldz 4
6 1 2 . . . . . . . . . 30 . O2 parsed_1ldz 4
7 1 1 . . . . . . . . . 29 . O6 parsed_1ldz 4
7 1 2 . . . . . . . . . 2 . H41 parsed_1ldz 4
8 1 1 . . . . . . . . . 29 . O6 parsed_1ldz 4
8 1 2 . . . . . . . . . 2 . N4 parsed_1ldz 4
9 1 1 . . . . . . . . . 29 . H1 parsed_1ldz 4
9 1 2 . . . . . . . . . 2 . N3 parsed_1ldz 4
10 1 1 . . . . . . . . . 29 . N1 parsed_1ldz 4
10 1 2 . . . . . . . . . 2 . N3 parsed_1ldz 4
11 1 1 . . . . . . . . . 29 . H21 parsed_1ldz 4
11 1 2 . . . . . . . . . 2 . O2 parsed_1ldz 4
12 1 1 . . . . . . . . . 29 . N2 parsed_1ldz 4
12 1 2 . . . . . . . . . 2 . O2 parsed_1ldz 4
13 1 1 . . . . . . . . . 3 . O6 parsed_1ldz 4
13 1 2 . . . . . . . . . 28 . H41 parsed_1ldz 4
14 1 1 . . . . . . . . . 3 . O6 parsed_1ldz 4
14 1 2 . . . . . . . . . 28 . N4 parsed_1ldz 4
15 1 1 . . . . . . . . . 3 . H1 parsed_1ldz 4
15 1 2 . . . . . . . . . 28 . N3 parsed_1ldz 4
16 1 1 . . . . . . . . . 3 . N1 parsed_1ldz 4
16 1 2 . . . . . . . . . 28 . N3 parsed_1ldz 4
17 1 1 . . . . . . . . . 3 . H21 parsed_1ldz 4
17 1 2 . . . . . . . . . 28 . O2 parsed_1ldz 4
18 1 1 . . . . . . . . . 3 . N2 parsed_1ldz 4
18 1 2 . . . . . . . . . 28 . O2 parsed_1ldz 4
19 1 1 . . . . . . . . . 27 . O4 parsed_1ldz 4
19 1 2 . . . . . . . . . 4 . H61 parsed_1ldz 4
20 1 1 . . . . . . . . . 27 . O4 parsed_1ldz 4
20 1 2 . . . . . . . . . 4 . N6 parsed_1ldz 4
21 1 1 . . . . . . . . . 27 . H3 parsed_1ldz 4
21 1 2 . . . . . . . . . 4 . N1 parsed_1ldz 4
22 1 1 . . . . . . . . . 27 . N3 parsed_1ldz 4
22 1 2 . . . . . . . . . 4 . N1 parsed_1ldz 4
23 1 1 . . . . . . . . . 26 . O6 parsed_1ldz 4
23 1 2 . . . . . . . . . 5 . H41 parsed_1ldz 4
24 1 1 . . . . . . . . . 26 . O6 parsed_1ldz 4
24 1 2 . . . . . . . . . 5 . N4 parsed_1ldz 4
25 1 1 . . . . . . . . . 26 . H1 parsed_1ldz 4
25 1 2 . . . . . . . . . 5 . N3 parsed_1ldz 4
26 1 1 . . . . . . . . . 26 . N1 parsed_1ldz 4
26 1 2 . . . . . . . . . 5 . N3 parsed_1ldz 4
27 1 1 . . . . . . . . . 26 . H21 parsed_1ldz 4
27 1 2 . . . . . . . . . 5 . O2 parsed_1ldz 4
28 1 1 . . . . . . . . . 26 . N2 parsed_1ldz 4
28 1 2 . . . . . . . . . 5 . O2 parsed_1ldz 4
29 1 1 . . . . . . . . . 23 . O6 parsed_1ldz 4
29 1 2 . . . . . . . . . 10 . H41 parsed_1ldz 4
30 1 1 . . . . . . . . . 23 . O6 parsed_1ldz 4
30 1 2 . . . . . . . . . 10 . N4 parsed_1ldz 4
31 1 1 . . . . . . . . . 23 . H1 parsed_1ldz 4
31 1 2 . . . . . . . . . 10 . N3 parsed_1ldz 4
32 1 1 . . . . . . . . . 23 . N1 parsed_1ldz 4
32 1 2 . . . . . . . . . 10 . N3 parsed_1ldz 4
33 1 1 . . . . . . . . . 23 . H21 parsed_1ldz 4
33 1 2 . . . . . . . . . 10 . O2 parsed_1ldz 4
34 1 1 . . . . . . . . . 23 . N2 parsed_1ldz 4
34 1 2 . . . . . . . . . 10 . O2 parsed_1ldz 4
35 1 1 . . . . . . . . . 22 . O6 parsed_1ldz 4
35 1 2 . . . . . . . . . 11 . H41 parsed_1ldz 4
36 1 1 . . . . . . . . . 22 . O6 parsed_1ldz 4
36 1 2 . . . . . . . . . 11 . N4 parsed_1ldz 4
37 1 1 . . . . . . . . . 22 . H1 parsed_1ldz 4
37 1 2 . . . . . . . . . 11 . N3 parsed_1ldz 4
38 1 1 . . . . . . . . . 22 . N1 parsed_1ldz 4
38 1 2 . . . . . . . . . 11 . N3 parsed_1ldz 4
39 1 1 . . . . . . . . . 22 . H21 parsed_1ldz 4
39 1 2 . . . . . . . . . 11 . O2 parsed_1ldz 4
40 1 1 . . . . . . . . . 22 . N2 parsed_1ldz 4
40 1 2 . . . . . . . . . 11 . O2 parsed_1ldz 4
41 1 1 . . . . . . . . . 21 . O4 parsed_1ldz 4
41 1 2 . . . . . . . . . 12 . H61 parsed_1ldz 4
42 1 1 . . . . . . . . . 21 . O4 parsed_1ldz 4
42 1 2 . . . . . . . . . 12 . N6 parsed_1ldz 4
43 1 1 . . . . . . . . . 21 . H3 parsed_1ldz 4
43 1 2 . . . . . . . . . 12 . N1 parsed_1ldz 4
44 1 1 . . . . . . . . . 21 . N3 parsed_1ldz 4
44 1 2 . . . . . . . . . 12 . N1 parsed_1ldz 4
45 1 1 . . . . . . . . . 13 . O6 parsed_1ldz 4
45 1 2 . . . . . . . . . 20 . H3 parsed_1ldz 4
46 1 1 . . . . . . . . . 13 . O6 parsed_1ldz 4
46 1 2 . . . . . . . . . 20 . N3 parsed_1ldz 4
47 1 1 . . . . . . . . . 13 . H1 parsed_1ldz 4
47 1 2 . . . . . . . . . 20 . O2 parsed_1ldz 4
48 1 1 . . . . . . . . . 13 . N1 parsed_1ldz 4
48 1 2 . . . . . . . . . 20 . O2 parsed_1ldz 4
49 1 1 . . . . . . . . . 19 . O6 parsed_1ldz 4
49 1 2 . . . . . . . . . 14 . H41 parsed_1ldz 4
50 1 1 . . . . . . . . . 19 . O6 parsed_1ldz 4
50 1 2 . . . . . . . . . 14 . N4 parsed_1ldz 4
51 1 1 . . . . . . . . . 19 . H1 parsed_1ldz 4
51 1 2 . . . . . . . . . 14 . N3 parsed_1ldz 4
52 1 1 . . . . . . . . . 19 . N1 parsed_1ldz 4
52 1 2 . . . . . . . . . 14 . N3 parsed_1ldz 4
53 1 1 . . . . . . . . . 19 . H21 parsed_1ldz 4
53 1 2 . . . . . . . . . 14 . O2 parsed_1ldz 4
54 1 1 . . . . . . . . . 19 . N2 parsed_1ldz 4
54 1 2 . . . . . . . . . 14 . O2 parsed_1ldz 4
55 1 1 . . . . . . . . . 25 . N6 parsed_1ldz 4
55 1 2 . . . . . . . . . 6 . N3 parsed_1ldz 4
56 1 1 . . . . . . . . . 25 . H61 parsed_1ldz 4
56 1 2 . . . . . . . . . 6 . N3 parsed_1ldz 4
57 1 1 . . . . . . . . . 25 . N1 parsed_1ldz 4
57 1 2 . . . . . . . . . 6 . O2 parsed_1ldz 4
58 1 1 . . . . . . . . . 25 . H1 parsed_1ldz 4
58 1 2 . . . . . . . . . 6 . O2 parsed_1ldz 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 . . . . . 1.9 1.4 2.2 parsed_1ldz 4
2 1 . . . . . 3.0 2.72 3.08 parsed_1ldz 4
3 1 . . . . . 1.9 1.40 2.02 parsed_1ldz 4
4 1 . . . . . 3.0 2.75 3.15 parsed_1ldz 4
5 1 . . . . . 1.9 1.4 2.2 parsed_1ldz 4
6 1 . . . . . 3.0 2.72 3.08 parsed_1ldz 4
7 1 . . . . . 1.9 1.4 2.2 parsed_1ldz 4
8 1 . . . . . 3.0 2.72 3.08 parsed_1ldz 4
9 1 . . . . . 1.9 1.40 2.02 parsed_1ldz 4
10 1 . . . . . 3.0 2.75 3.15 parsed_1ldz 4
11 1 . . . . . 1.9 1.4 2.2 parsed_1ldz 4
12 1 . . . . . 3.0 2.72 3.08 parsed_1ldz 4
13 1 . . . . . 1.9 1.4 2.2 parsed_1ldz 4
14 1 . . . . . 3.0 2.72 3.08 parsed_1ldz 4
15 1 . . . . . 1.9 1.40 2.02 parsed_1ldz 4
16 1 . . . . . 3.0 2.75 3.15 parsed_1ldz 4
17 1 . . . . . 1.9 1.4 2.2 parsed_1ldz 4
18 1 . . . . . 3.0 2.72 3.08 parsed_1ldz 4
19 1 . . . . . 1.9 1.4 2.2 parsed_1ldz 4
20 1 . . . . . 3.0 2.72 3.08 parsed_1ldz 4
21 1 . . . . . 1.9 1.40 2.02 parsed_1ldz 4
22 1 . . . . . 3.0 2.75 3.15 parsed_1ldz 4
23 1 . . . . . 1.9 1.4 2.2 parsed_1ldz 4
24 1 . . . . . 3.0 2.72 3.08 parsed_1ldz 4
25 1 . . . . . 1.9 1.40 2.02 parsed_1ldz 4
26 1 . . . . . 3.0 2.75 3.15 parsed_1ldz 4
27 1 . . . . . 1.9 1.4 2.2 parsed_1ldz 4
28 1 . . . . . 3.0 2.72 3.08 parsed_1ldz 4
29 1 . . . . . 1.9 1.4 2.2 parsed_1ldz 4
30 1 . . . . . 3.0 2.72 3.08 parsed_1ldz 4
31 1 . . . . . 1.9 1.40 2.02 parsed_1ldz 4
32 1 . . . . . 3.0 2.75 3.15 parsed_1ldz 4
33 1 . . . . . 1.9 1.4 2.2 parsed_1ldz 4
34 1 . . . . . 3.0 2.72 3.08 parsed_1ldz 4
35 1 . . . . . 1.9 1.4 2.2 parsed_1ldz 4
36 1 . . . . . 3.0 2.72 3.08 parsed_1ldz 4
37 1 . . . . . 1.9 1.40 2.02 parsed_1ldz 4
38 1 . . . . . 3.0 2.75 3.15 parsed_1ldz 4
39 1 . . . . . 1.9 1.4 2.2 parsed_1ldz 4
40 1 . . . . . 3.0 2.72 3.08 parsed_1ldz 4
41 1 . . . . . 1.9 1.4 2.2 parsed_1ldz 4
42 1 . . . . . 3.0 2.72 3.08 parsed_1ldz 4
43 1 . . . . . 1.9 1.40 2.02 parsed_1ldz 4
44 1 . . . . . 3.0 2.75 3.15 parsed_1ldz 4
45 1 . . . . . 1.9 1.4 2.2 parsed_1ldz 4
46 1 . . . . . 3.0 2.72 3.08 parsed_1ldz 4
47 1 . . . . . 1.9 1.4 2.2 parsed_1ldz 4
48 1 . . . . . 3.0 2.72 3.08 parsed_1ldz 4
49 1 . . . . . 1.9 1.4 2.2 parsed_1ldz 4
50 1 . . . . . 3.0 2.72 3.08 parsed_1ldz 4
51 1 . . . . . 1.9 1.40 2.02 parsed_1ldz 4
52 1 . . . . . 3.0 2.75 3.15 parsed_1ldz 4
53 1 . . . . . 1.9 1.4 2.2 parsed_1ldz 4
54 1 . . . . . 3.0 2.72 3.08 parsed_1ldz 4
55 1 . . . . . 2.9 2.6 3.2 parsed_1ldz 4
56 1 . . . . . 1.9 1.6 2.2 parsed_1ldz 4
57 1 . . . . . 3.0 2.7 3.3 parsed_1ldz 4
58 1 . . . . . 2.0 1.7 2.3 parsed_1ldz 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
;
file lz2_hbond_396.noe
hbonds to define base pairing in LZ2
format borrowed from Fiona Jucker 3/1/96
---------------------------------------------------------------------
hbond for G1-C30
Fix stereochem CGH 5/13/97
;
1 1 11 30 parsed_1ldz 4
2 "hbond for G29-C2" 18 1 20 2 parsed_1ldz 4
3 "hbond for G3-C29" 27 1 29 2 parsed_1ldz 4
4 "hbond for A4-U27" 36 1 38 2 parsed_1ldz 4
5 "hbond for G26-C5" 43 1 45 2 parsed_1ldz 4
6 "hbond for G23-C10" 52 1 54 2 parsed_1ldz 4
7 "hbond for G22-C11" 61 1 63 2 parsed_1ldz 4
8 "hbond for A12-U21" 70 1 72 2 parsed_1ldz 4
9 "hbond for G13-U20" 77 1 79 2 parsed_1ldz 4
10 "hbond for G19-C14" 84 1 86 2 parsed_1ldz 4
11
;
file lz2_acpair.noe
omitted for "control" calculations, Hoogstraten et al fig. 5
;
93 1 96 2 parsed_1ldz 4
12 "Dihedral Angle Constraints" 101 1 103 2 parsed_1ldz 4
stop_
save_
save_CNS/XPLOR_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ldz
_Distance_constraint_list.ID 5
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
_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_1ldz 5
2 1 . . . parsed_1ldz 5
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 8 . H1' parsed_1ldz 5
1 1 2 . . . . . . . . . 8 . H4' parsed_1ldz 5
2 1 1 . . . . . . . . . 16 . H1' parsed_1ldz 5
2 1 2 . . . . . . . . . 16 . H4' parsed_1ldz 5
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.35 3.05 3.65 parsed_1ldz 5
2 1 . . . . . 3.35 3.05 3.65 parsed_1ldz 5
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
file lz2_14all.tbl
used for averaged sugar puckers, constrains to either
C3'-endo or C2'-endo
;
1 1 5 2 parsed_1ldz 5
stop_
save_
save_CNS/XPLOR_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ldz
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 1 . H3' . 1 . C3' . 1 . C4' . 1 . H4' parsed_1ldz 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 2 . H3' . 2 . C3' . 2 . C4' . 2 . H4' parsed_1ldz 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 3 . H3' . 3 . C3' . 3 . C4' . 3 . H4' parsed_1ldz 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 4 . H3' . 4 . C3' . 4 . C4' . 4 . H4' parsed_1ldz 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 5 . H3' . 5 . C3' . 5 . C4' . 5 . H4' parsed_1ldz 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 6 . H3' . 6 . C3' . 6 . C4' . 6 . H4' parsed_1ldz 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 10 . H3' . 10 . C3' . 10 . C4' . 10 . H4' parsed_1ldz 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 11 . H3' . 11 . C3' . 11 . C4' . 11 . H4' parsed_1ldz 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 12 . H3' . 12 . C3' . 12 . C4' . 12 . H4' parsed_1ldz 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 13 . H3' . 13 . C3' . 13 . C4' . 13 . H4' parsed_1ldz 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 14 . H3' . 14 . C3' . 14 . C4' . 14 . H4' parsed_1ldz 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 15 . H3' . 15 . C3' . 15 . C4' . 15 . H4' parsed_1ldz 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 18 . H3' . 18 . C3' . 18 . C4' . 18 . H4' parsed_1ldz 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 19 . H3' . 19 . C3' . 19 . C4' . 19 . H4' parsed_1ldz 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 20 . H3' . 20 . C3' . 20 . C4' . 20 . H4' parsed_1ldz 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 21 . H3' . 21 . C3' . 21 . C4' . 21 . H4' parsed_1ldz 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 22 . H3' . 22 . C3' . 22 . C4' . 22 . H4' parsed_1ldz 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 23 . H3' . 23 . C3' . 23 . C4' . 23 . H4' parsed_1ldz 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 25 . H3' . 25 . C3' . 25 . C4' . 25 . H4' parsed_1ldz 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 26 . H3' . 26 . C3' . 26 . C4' . 26 . H4' parsed_1ldz 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 27 . H3' . 27 . C3' . 27 . C4' . 27 . H4' parsed_1ldz 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 28 . H3' . 28 . C3' . 28 . C4' . 28 . H4' parsed_1ldz 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 29 . H3' . 29 . C3' . 29 . C4' . 29 . H4' parsed_1ldz 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -154.0 . . 30 . H3' . 30 . C3' . 30 . C4' . 30 . H4' parsed_1ldz 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 1 . H1' . 1 . C1' . 1 . C2' . 1 . H2'' parsed_1ldz 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 2 . H1' . 2 . C1' . 2 . C2' . 2 . H2'' parsed_1ldz 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 3 . H1' . 3 . C1' . 3 . C2' . 3 . H2'' parsed_1ldz 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 4 . H1' . 4 . C1' . 4 . C2' . 4 . H2'' parsed_1ldz 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 5 . H1' . 5 . C1' . 5 . C2' . 5 . H2'' parsed_1ldz 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 6 . H1' . 6 . C1' . 6 . C2' . 6 . H2'' parsed_1ldz 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 10 . H1' . 10 . C1' . 10 . C2' . 10 . H2'' parsed_1ldz 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 11 . H1' . 11 . C1' . 11 . C2' . 11 . H2'' parsed_1ldz 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 12 . H1' . 12 . C1' . 12 . C2' . 12 . H2'' parsed_1ldz 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 13 . H1' . 13 . C1' . 13 . C2' . 13 . H2'' parsed_1ldz 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 14 . H1' . 14 . C1' . 14 . C2' . 14 . H2'' parsed_1ldz 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 15 . H1' . 15 . C1' . 15 . C2' . 15 . H2'' parsed_1ldz 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 18 . H1' . 18 . C1' . 18 . C2' . 18 . H2'' parsed_1ldz 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 19 . H1' . 19 . C1' . 19 . C2' . 19 . H2'' parsed_1ldz 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 20 . H1' . 20 . C1' . 20 . C2' . 20 . H2'' parsed_1ldz 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 21 . H1' . 21 . C1' . 21 . C2' . 21 . H2'' parsed_1ldz 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 22 . H1' . 22 . C1' . 22 . C2' . 22 . H2'' parsed_1ldz 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 23 . H1' . 23 . C1' . 23 . C2' . 23 . H2'' parsed_1ldz 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 25 . H1' . 25 . C1' . 25 . C2' . 25 . H2'' parsed_1ldz 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 26 . H1' . 26 . C1' . 26 . C2' . 26 . H2'' parsed_1ldz 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 27 . H1' . 27 . C1' . 27 . C2' . 27 . H2'' parsed_1ldz 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 28 . H1' . 28 . C1' . 28 . C2' . 28 . H2'' parsed_1ldz 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 29 . H1' . 29 . C1' . 29 . C2' . 29 . H2'' parsed_1ldz 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 110.0 . . 30 . H1' . 30 . C1' . 30 . C2' . 30 . H2'' parsed_1ldz 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 149.0 165.0 . . 7 . H1' . 7 . C1' . 7 . C2' . 7 . H2'' parsed_1ldz 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.0 -87.0 . . 7 . H3' . 7 . C3' . 7 . C4' . 7 . H4' parsed_1ldz 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 149.0 165.0 . . 9 . H1' . 9 . C1' . 9 . C2' . 9 . H2'' parsed_1ldz 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.0 -87.0 . . 9 . H3' . 9 . C3' . 9 . C4' . 9 . H4' parsed_1ldz 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
;
lz2_torsion_796.tbl 7/25/96 CGH
final filename lz2_torsion_597.tbl CGH
This torsion constraint file is used to generate 3'endo puckers
in the refinement step for the following residues:
1-6, 10-15, 18-23, 25-30
And 2'endo puckers for residues 7 and 9
Both H1'-H2' and H3'-H4' constraints used for both classes
5/13/97 remove G9 constraints
6/15/97 restore G9 constraints
*****C3' endo*****
;
1 1 15 21 parsed_1ldz 1
2 "Nu1 constraints" 112 1 114 2 parsed_1ldz 1
3 "C2' endo constraints'" 211 1 213 2 parsed_1ldz 1
stop_
save_
save_CNS/XPLOR_dihedral_8
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ldz
_Torsion_angle_constraint_list.ID 2
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 1 . C4' . 1 . C3' . 1 . O3' . 2 . P parsed_1ldz 2
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 2 . C4' . 2 . C3' . 2 . O3' . 3 . P parsed_1ldz 2
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 3 . C4' . 3 . C3' . 3 . O3' . 4 . P parsed_1ldz 2
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 4 . C4' . 4 . C3' . 4 . O3' . 5 . P parsed_1ldz 2
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 5 . C4' . 5 . C3' . 5 . O3' . 6 . P parsed_1ldz 2
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 6 . C4' . 6 . C3' . 6 . O3' . 7 . P parsed_1ldz 2
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 10 . C4' . 10 . C3' . 10 . O3' . 11 . P parsed_1ldz 2
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 11 . C4' . 11 . C3' . 11 . O3' . 12 . P parsed_1ldz 2
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 12 . C4' . 12 . C3' . 12 . O3' . 13 . P parsed_1ldz 2
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 13 . C4' . 13 . C3' . 13 . O3' . 14 . P parsed_1ldz 2
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 14 . C4' . 14 . C3' . 14 . O3' . 15 . P parsed_1ldz 2
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 15 . C4' . 15 . C3' . 15 . O3' . 16 . P parsed_1ldz 2
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 18 . C4' . 18 . C3' . 18 . O3' . 19 . P parsed_1ldz 2
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 20 . C4' . 20 . C3' . 20 . O3' . 21 . P parsed_1ldz 2
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 21 . C4' . 21 . C3' . 21 . O3' . 22 . P parsed_1ldz 2
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 22 . C4' . 22 . C3' . 22 . O3' . 23 . P parsed_1ldz 2
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 23 . C4' . 23 . C3' . 23 . O3' . 24 . P parsed_1ldz 2
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 25 . C4' . 25 . C3' . 25 . O3' . 26 . P parsed_1ldz 2
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 26 . C4' . 26 . C3' . 26 . O3' . 27 . P parsed_1ldz 2
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195 -135 . . 29 . C4' . 29 . C3' . 29 . O3' . 30 . P parsed_1ldz 2
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 30 . P . 30 . O5' . 30 . C5' . 30 . C4' parsed_1ldz 2
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
;
file lz2_eps_197.tbl
Restraints of epsilon (and one beta) dihedral in leadzyme LZ2 based on
2D heteronuclear spin-echo difference spectroscopy FEBS Lett 362 (1995) 156-160
CGH 08/28/95
energy constant = 10 following PL's convention for puckers
mod to reflect results of 3D experiments NB # 4 p. 56 CGH 1/7/97
See Hoogstraten & Pardi (1998) J. Magn. Reson.
;
1 1 9 49 parsed_1ldz 2
2 "beta of resid 30 is unambiguous" 51 1 51 33 parsed_1ldz 2
3 "file lz2_gamma_896.tbl" 54 1 56 2 parsed_1ldz 2
stop_
save_
save_CNS/XPLOR_dihedral_9
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ldz
_Torsion_angle_constraint_list.ID 3
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 9
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 105.0 . . 4 . O5' . 4 . C5' . 4 . C4' . 4 . C3' parsed_1ldz 3
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 105.0 . . 7 . O5' . 7 . C5' . 7 . C4' . 7 . C3' parsed_1ldz 3
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 105.0 . . 8 . O5' . 8 . C5' . 8 . C4' . 8 . C3' parsed_1ldz 3
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 105.0 . . 9 . O5' . 9 . C5' . 9 . C4' . 9 . C3' parsed_1ldz 3
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 105.0 . . 10 . O5' . 10 . C5' . 10 . C4' . 10 . C3' parsed_1ldz 3
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 105.0 . . 12 . O5' . 12 . C5' . 12 . C4' . 12 . C3' parsed_1ldz 3
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 105.0 . . 20 . O5' . 20 . C5' . 20 . C4' . 20 . C3' parsed_1ldz 3
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
;
Restrain residues 4, 7, 8, 9, 10, 12, 20 to g+ gamma comformation
Based on HCC-TOCSY-CCH-E.COSY data
CGH 08/10/96
;
1 1 3 15 parsed_1ldz 3
stop_
save_
save_CNS/XPLOR_dihedral_10
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ldz
_Torsion_angle_constraint_list.ID 4
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 10
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 7 . O4' . 7 . C1' . 7 . N9 . 7 . C4 parsed_1ldz 4
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 1 . O4' . 1 . C1' . 1 . N9 . 1 . C4 parsed_1ldz 4
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 2 . O4' . 2 . C1' . 2 . N1 . 2 . C2 parsed_1ldz 4
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 3 . O4' . 3 . C1' . 3 . N9 . 3 . C4 parsed_1ldz 4
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 4 . O4' . 4 . C1' . 4 . N9 . 4 . C4 parsed_1ldz 4
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 5 . O4' . 5 . C1' . 5 . N1 . 5 . C2 parsed_1ldz 4
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 6 . O4' . 6 . C1' . 6 . N1 . 6 . C2 parsed_1ldz 4
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 8 . O4' . 8 . C1' . 8 . N9 . 8 . C4 parsed_1ldz 4
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 9 . O4' . 9 . C1' . 9 . N9 . 9 . C4 parsed_1ldz 4
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 10 . O4' . 10 . C1' . 10 . N1 . 10 . C2 parsed_1ldz 4
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 12 . O4' . 12 . C1' . 12 . N9 . 12 . C4 parsed_1ldz 4
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 13 . O4' . 13 . C1' . 13 . N9 . 13 . C4 parsed_1ldz 4
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 14 . O4' . 14 . C1' . 14 . N1 . 14 . C2 parsed_1ldz 4
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 15 . O4' . 15 . C1' . 15 . N9 . 15 . C4 parsed_1ldz 4
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 16 . O4' . 16 . C1' . 16 . N9 . 16 . C4 parsed_1ldz 4
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 17 . O4' . 17 . C1' . 17 . N9 . 17 . C4 parsed_1ldz 4
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 19 . O4' . 19 . C1' . 19 . N9 . 19 . C4 parsed_1ldz 4
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 21 . O4' . 21 . C1' . 21 . N1 . 21 . C2 parsed_1ldz 4
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 23 . O4' . 23 . C1' . 23 . N9 . 23 . C4 parsed_1ldz 4
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 24 . O4' . 24 . C1' . 24 . N9 . 24 . C4 parsed_1ldz 4
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 25 . O4' . 25 . C1' . 25 . N9 . 25 . C4 parsed_1ldz 4
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 26 . O4' . 26 . C1' . 26 . N9 . 26 . C4 parsed_1ldz 4
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . 30 . O4' . 30 . C1' . 30 . N1 . 30 . C2 parsed_1ldz 4
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
;
file lz2_glycos_0597.tbl
Glycosidic torsion angle restraints for LZ2 based on NOE buildup and
3D normalized NOE data
CGH 09/26/96; Notebook CGH #3 p. 58
7 syn, 20 residues anti
24 not imposed, evidence suggests anti
add 6, 24 as anti NB #5 p. 53 based on 35 C data
syn residues
;
1 1 10 14 parsed_1ldz 4
2 "anti residues" 13 1 13 15 parsed_1ldz 4
stop_
save_