NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
38491 |
1rkk   |
6020 | cing | 2-parsed | STAR | entry | full | 144 |
data_1rkk_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1rkk
_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_1rkk 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1rkk
_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 1rkk "Master copy" parsed_1rkk
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1rkk
_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 1rkk.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1rkk 1
1 1rkk.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1rkk 1
1 1rkk.mr . . XPLOR/CNS 3 distance NOE simple 144 parsed_1rkk 1
1 1rkk.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1rkk 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_1rkk
_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 ANTIMICROBIAL PEPTIDE 21-NOV-03 1RKK
*TITLE POLYPHEMUSIN I NMR SOLUTION STRUCTURE
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: POLYPHEMUSIN I;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED
*SOURCE 4 USING FMOC SOLID STATE SYNTHESIS. THE SEQUENCE OF THE
*SOURCE 5 PEPTIDE IS NATURALLY FOUND IN TACHYPLEUS POLYPHEMUS
*SOURCE 6 (AMERICAN HORESHOE CRAB).
*KEYWDS POLYPHEMUSIN, BETA HAIRPIN, DISULFIDE BRIDGE, ANTI-
*KEYWDS 2 MICROBIAL PEPTIDE
*EXPDTA NMR, 17 STRUCTURES
*AUTHOR J.P.S.POWERS, A.ROZEK, R.E.W.HANCOCK
*REVDAT 1 31-AUG-04 1RKK 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1rkk
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 2
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "Polyphemusin I XPLOR NOE Distance restraints"
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1rkk
_Distance_constraint_list.ID 1
_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_1rkk 1
2 1 . . . parsed_1rkk 1
3 1 . . . parsed_1rkk 1
4 1 . . . parsed_1rkk 1
5 1 . . . parsed_1rkk 1
6 1 . . . parsed_1rkk 1
7 1 . . . parsed_1rkk 1
8 1 . . . parsed_1rkk 1
9 1 . . . parsed_1rkk 1
10 1 . . . parsed_1rkk 1
11 1 . . . parsed_1rkk 1
12 1 . . . parsed_1rkk 1
13 1 . . . parsed_1rkk 1
14 1 . . . parsed_1rkk 1
15 1 . . . parsed_1rkk 1
16 1 . . . parsed_1rkk 1
17 1 . . . parsed_1rkk 1
18 1 . . . parsed_1rkk 1
19 1 . . . parsed_1rkk 1
20 1 . . . parsed_1rkk 1
21 1 . . . parsed_1rkk 1
22 1 . . . parsed_1rkk 1
23 1 . . . parsed_1rkk 1
24 1 . . . parsed_1rkk 1
25 1 . . . parsed_1rkk 1
26 1 . . . parsed_1rkk 1
27 1 . . . parsed_1rkk 1
28 1 . . . parsed_1rkk 1
29 1 . . . parsed_1rkk 1
30 1 . . . parsed_1rkk 1
31 1 . . . parsed_1rkk 1
32 1 . . . parsed_1rkk 1
33 1 . . . parsed_1rkk 1
34 1 . . . parsed_1rkk 1
35 1 . . . parsed_1rkk 1
36 1 . . . parsed_1rkk 1
37 1 . . . parsed_1rkk 1
38 1 . . . parsed_1rkk 1
39 1 . . . parsed_1rkk 1
40 1 . . . parsed_1rkk 1
41 1 . . . parsed_1rkk 1
42 1 . . . parsed_1rkk 1
43 1 . . . parsed_1rkk 1
44 1 . . . parsed_1rkk 1
45 1 . . . parsed_1rkk 1
46 1 . . . parsed_1rkk 1
47 1 . . . parsed_1rkk 1
48 1 . . . parsed_1rkk 1
49 1 . . . parsed_1rkk 1
50 1 . . . parsed_1rkk 1
51 1 . . . parsed_1rkk 1
52 1 . . . parsed_1rkk 1
53 1 . . . parsed_1rkk 1
54 1 . . . parsed_1rkk 1
55 1 . . . parsed_1rkk 1
56 1 . . . parsed_1rkk 1
57 1 . . . parsed_1rkk 1
58 1 . . . parsed_1rkk 1
59 1 . . . parsed_1rkk 1
60 1 . . . parsed_1rkk 1
61 1 . . . parsed_1rkk 1
62 1 . . . parsed_1rkk 1
63 1 . . . parsed_1rkk 1
64 1 . . . parsed_1rkk 1
65 1 . . . parsed_1rkk 1
66 1 . . . parsed_1rkk 1
67 1 . . . parsed_1rkk 1
68 1 . . . parsed_1rkk 1
69 1 . . . parsed_1rkk 1
70 1 . . . parsed_1rkk 1
71 1 . . . parsed_1rkk 1
72 1 . . . parsed_1rkk 1
73 1 . . . parsed_1rkk 1
74 1 . . . parsed_1rkk 1
75 1 . . . parsed_1rkk 1
76 1 . . . parsed_1rkk 1
77 1 . . . parsed_1rkk 1
78 1 . . . parsed_1rkk 1
79 1 . . . parsed_1rkk 1
80 1 . . . parsed_1rkk 1
81 1 . . . parsed_1rkk 1
82 1 . . . parsed_1rkk 1
83 1 . . . parsed_1rkk 1
84 1 . . . parsed_1rkk 1
85 1 . . . parsed_1rkk 1
86 1 . . . parsed_1rkk 1
87 1 . . . parsed_1rkk 1
88 1 . . . parsed_1rkk 1
89 1 . . . parsed_1rkk 1
90 1 . . . parsed_1rkk 1
91 1 . . . parsed_1rkk 1
92 1 . . . parsed_1rkk 1
93 1 . . . parsed_1rkk 1
94 1 . . . parsed_1rkk 1
95 1 . . . parsed_1rkk 1
96 1 . . . parsed_1rkk 1
97 1 . . . parsed_1rkk 1
98 1 . . . parsed_1rkk 1
99 1 . . . parsed_1rkk 1
100 1 . . . parsed_1rkk 1
101 1 . . . parsed_1rkk 1
102 1 . . . parsed_1rkk 1
103 1 . . . parsed_1rkk 1
104 1 . . . parsed_1rkk 1
105 1 . . . parsed_1rkk 1
106 1 . . . parsed_1rkk 1
107 1 . . . parsed_1rkk 1
108 1 . . . parsed_1rkk 1
109 1 . . . parsed_1rkk 1
110 1 . . . parsed_1rkk 1
111 1 . . . parsed_1rkk 1
112 1 . . . parsed_1rkk 1
113 1 . . . parsed_1rkk 1
114 1 . . . parsed_1rkk 1
115 1 . . . parsed_1rkk 1
116 1 . . . parsed_1rkk 1
117 1 . . . parsed_1rkk 1
118 1 . . . parsed_1rkk 1
119 1 . . . parsed_1rkk 1
120 1 . . . parsed_1rkk 1
121 1 . . . parsed_1rkk 1
122 1 . . . parsed_1rkk 1
123 1 . . . parsed_1rkk 1
124 1 . . . parsed_1rkk 1
125 1 . . . parsed_1rkk 1
126 1 . . . parsed_1rkk 1
127 1 . . . parsed_1rkk 1
128 1 . . . parsed_1rkk 1
129 1 . . . parsed_1rkk 1
130 1 . . . parsed_1rkk 1
131 1 . . . parsed_1rkk 1
132 1 . . . parsed_1rkk 1
133 1 . . . parsed_1rkk 1
134 1 . . . parsed_1rkk 1
135 1 . . . parsed_1rkk 1
136 1 . . . parsed_1rkk 1
137 1 . . . parsed_1rkk 1
138 1 . . . parsed_1rkk 1
139 1 . . . parsed_1rkk 1
140 1 . . . parsed_1rkk 1
141 1 . . . parsed_1rkk 1
142 1 . . . parsed_1rkk 1
143 1 . . . parsed_1rkk 1
144 1 . . . parsed_1rkk 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 . . . . . . . . . 2 . HN parsed_1rkk 1
1 1 2 . . . . . . . . . 1 . HA parsed_1rkk 1
2 1 1 . . . . . . . . . 2 . HN parsed_1rkk 1
2 1 2 . . . . . . . . . 1 . HB* parsed_1rkk 1
3 1 1 . . . . . . . . . 2 . HN parsed_1rkk 1
3 1 2 . . . . . . . . . 2 . HB* parsed_1rkk 1
4 1 1 . . . . . . . . . 2 . HN parsed_1rkk 1
4 1 2 . . . . . . . . . 2 . HG1 parsed_1rkk 1
5 1 1 . . . . . . . . . 2 . HN parsed_1rkk 1
5 1 2 . . . . . . . . . 2 . HG2 parsed_1rkk 1
6 1 1 . . . . . . . . . 3 . HN parsed_1rkk 1
6 1 2 . . . . . . . . . 2 . HA parsed_1rkk 1
7 1 1 . . . . . . . . . 3 . HN parsed_1rkk 1
7 1 2 . . . . . . . . . 2 . HB* parsed_1rkk 1
8 1 1 . . . . . . . . . 3 . HN parsed_1rkk 1
8 1 2 . . . . . . . . . 3 . HB1 parsed_1rkk 1
9 1 1 . . . . . . . . . 3 . HN parsed_1rkk 1
9 1 2 . . . . . . . . . 3 . HB2 parsed_1rkk 1
10 1 1 . . . . . . . . . 3 . HN parsed_1rkk 1
10 1 2 . . . . . . . . . 3 . HD1 parsed_1rkk 1
11 1 1 . . . . . . . . . 3 . HN parsed_1rkk 1
11 1 2 . . . . . . . . . 2 . HG* parsed_1rkk 1
12 1 1 . . . . . . . . . 3 . HN parsed_1rkk 1
12 1 2 . . . . . . . . . 3 . HZ2 parsed_1rkk 1
13 1 1 . . . . . . . . . 3 . HN parsed_1rkk 1
13 1 2 . . . . . . . . . 4 . HN parsed_1rkk 1
14 1 1 . . . . . . . . . 3 . HD1 parsed_1rkk 1
14 1 2 . . . . . . . . . 3 . HB1 parsed_1rkk 1
15 1 1 . . . . . . . . . 3 . HD1 parsed_1rkk 1
15 1 2 . . . . . . . . . 3 . HB2 parsed_1rkk 1
16 1 1 . . . . . . . . . 3 . HE1 parsed_1rkk 1
16 1 2 . . . . . . . . . 3 . HD1 parsed_1rkk 1
17 1 1 . . . . . . . . . 3 . HE1 parsed_1rkk 1
17 1 2 . . . . . . . . . 3 . HE3 parsed_1rkk 1
18 1 1 . . . . . . . . . 3 . HZ2 parsed_1rkk 1
18 1 2 . . . . . . . . . 2 . HB* parsed_1rkk 1
19 1 1 . . . . . . . . . 4 . HA parsed_1rkk 1
19 1 2 . . . . . . . . . 5 . HD* parsed_1rkk 1
20 1 1 . . . . . . . . . 4 . HN parsed_1rkk 1
20 1 2 . . . . . . . . . 3 . HA parsed_1rkk 1
21 1 1 . . . . . . . . . 4 . HN parsed_1rkk 1
21 1 2 . . . . . . . . . 3 . HB1 parsed_1rkk 1
22 1 1 . . . . . . . . . 4 . HN parsed_1rkk 1
22 1 2 . . . . . . . . . 3 . HB2 parsed_1rkk 1
23 1 1 . . . . . . . . . 4 . HN parsed_1rkk 1
23 1 2 . . . . . . . . . 4 . HA parsed_1rkk 1
24 1 1 . . . . . . . . . 4 . HN parsed_1rkk 1
24 1 2 . . . . . . . . . 4 . HB1 parsed_1rkk 1
25 1 1 . . . . . . . . . 4 . HN parsed_1rkk 1
25 1 2 . . . . . . . . . 4 . HB2 parsed_1rkk 1
26 1 1 . . . . . . . . . 5 . HN parsed_1rkk 1
26 1 2 . . . . . . . . . 4 . HA parsed_1rkk 1
27 1 1 . . . . . . . . . 5 . HN parsed_1rkk 1
27 1 2 . . . . . . . . . 4 . HN parsed_1rkk 1
28 1 1 . . . . . . . . . 5 . HN parsed_1rkk 1
28 1 2 . . . . . . . . . 4 . HB* parsed_1rkk 1
29 1 1 . . . . . . . . . 5 . HN parsed_1rkk 1
29 1 2 . . . . . . . . . 5 . HB1 parsed_1rkk 1
30 1 1 . . . . . . . . . 5 . HN parsed_1rkk 1
30 1 2 . . . . . . . . . 5 . HB2 parsed_1rkk 1
31 1 1 . . . . . . . . . 5 . HN parsed_1rkk 1
31 1 2 . . . . . . . . . 5 . HD* parsed_1rkk 1
32 1 1 . . . . . . . . . 5 . HD* parsed_1rkk 1
32 1 2 . . . . . . . . . 5 . HB1 parsed_1rkk 1
33 1 1 . . . . . . . . . 5 . HD* parsed_1rkk 1
33 1 2 . . . . . . . . . 5 . HB2 parsed_1rkk 1
34 1 1 . . . . . . . . . 6 . HN parsed_1rkk 1
34 1 2 . . . . . . . . . 5 . HD* parsed_1rkk 1
35 1 1 . . . . . . . . . 6 . HN parsed_1rkk 1
35 1 2 . . . . . . . . . 6 . HB1 parsed_1rkk 1
36 1 1 . . . . . . . . . 6 . HN parsed_1rkk 1
36 1 2 . . . . . . . . . 6 . HB2 parsed_1rkk 1
37 1 1 . . . . . . . . . 6 . HN parsed_1rkk 1
37 1 2 . . . . . . . . . 6 . HG* parsed_1rkk 1
38 1 1 . . . . . . . . . 7 . HB parsed_1rkk 1
38 1 2 . . . . . . . . . 7 . HA parsed_1rkk 1
39 1 1 . . . . . . . . . 7 . HN parsed_1rkk 1
39 1 2 . . . . . . . . . 6 . HB* parsed_1rkk 1
40 1 1 . . . . . . . . . 7 . HN parsed_1rkk 1
40 1 2 . . . . . . . . . 6 . HG* parsed_1rkk 1
41 1 1 . . . . . . . . . 7 . HN parsed_1rkk 1
41 1 2 . . . . . . . . . 7 . HB parsed_1rkk 1
42 1 1 . . . . . . . . . 7 . HN parsed_1rkk 1
42 1 2 . . . . . . . . . 7 . HG1* parsed_1rkk 1
43 1 1 . . . . . . . . . 7 . HN parsed_1rkk 1
43 1 2 . . . . . . . . . 7 . HG2* parsed_1rkk 1
44 1 1 . . . . . . . . . 7 . HN parsed_1rkk 1
44 1 2 . . . . . . . . . 8 . HN parsed_1rkk 1
45 1 1 . . . . . . . . . 7 . HN parsed_1rkk 1
45 1 2 . . . . . . . . . 13 . HA parsed_1rkk 1
46 1 1 . . . . . . . . . 7 . HN parsed_1rkk 1
46 1 2 . . . . . . . . . 13 . HB* parsed_1rkk 1
47 1 1 . . . . . . . . . 7 . HG1* parsed_1rkk 1
47 1 2 . . . . . . . . . 7 . HA parsed_1rkk 1
48 1 1 . . . . . . . . . 7 . HG2* parsed_1rkk 1
48 1 2 . . . . . . . . . 7 . HA parsed_1rkk 1
49 1 1 . . . . . . . . . 8 . HA parsed_1rkk 1
49 1 2 . . . . . . . . . 13 . HA parsed_1rkk 1
50 1 1 . . . . . . . . . 8 . HN parsed_1rkk 1
50 1 2 . . . . . . . . . 7 . HA parsed_1rkk 1
51 1 1 . . . . . . . . . 8 . HN parsed_1rkk 1
51 1 2 . . . . . . . . . 7 . HG1* parsed_1rkk 1
52 1 1 . . . . . . . . . 8 . HN parsed_1rkk 1
52 1 2 . . . . . . . . . 7 . HG2* parsed_1rkk 1
53 1 1 . . . . . . . . . 8 . HN parsed_1rkk 1
53 1 2 . . . . . . . . . 8 . HA parsed_1rkk 1
54 1 1 . . . . . . . . . 8 . HN parsed_1rkk 1
54 1 2 . . . . . . . . . 8 . HB* parsed_1rkk 1
55 1 1 . . . . . . . . . 8 . HN parsed_1rkk 1
55 1 2 . . . . . . . . . 13 . HA parsed_1rkk 1
56 1 1 . . . . . . . . . 8 . HN parsed_1rkk 1
56 1 2 . . . . . . . . . 16 . HA parsed_1rkk 1
57 1 1 . . . . . . . . . 9 . HN parsed_1rkk 1
57 1 2 . . . . . . . . . 8 . HA parsed_1rkk 1
58 1 1 . . . . . . . . . 9 . HN parsed_1rkk 1
58 1 2 . . . . . . . . . 8 . HB1 parsed_1rkk 1
59 1 1 . . . . . . . . . 9 . HN parsed_1rkk 1
59 1 2 . . . . . . . . . 8 . HB2 parsed_1rkk 1
60 1 1 . . . . . . . . . 9 . HN parsed_1rkk 1
60 1 2 . . . . . . . . . 9 . HB* parsed_1rkk 1
61 1 1 . . . . . . . . . 9 . HN parsed_1rkk 1
61 1 2 . . . . . . . . . 9 . HD* parsed_1rkk 1
62 1 1 . . . . . . . . . 9 . HN parsed_1rkk 1
62 1 2 . . . . . . . . . 11 . HN parsed_1rkk 1
63 1 1 . . . . . . . . . 9 . HN parsed_1rkk 1
63 1 2 . . . . . . . . . 12 . HN parsed_1rkk 1
64 1 1 . . . . . . . . . 9 . HN parsed_1rkk 1
64 1 2 . . . . . . . . . 12 . HB* parsed_1rkk 1
65 1 1 . . . . . . . . . 9 . HN parsed_1rkk 1
65 1 2 . . . . . . . . . 13 . HA parsed_1rkk 1
66 1 1 . . . . . . . . . 9 . HD* parsed_1rkk 1
66 1 2 . . . . . . . . . 9 . HB* parsed_1rkk 1
67 1 1 . . . . . . . . . 10 . HA parsed_1rkk 1
67 1 2 . . . . . . . . . 10 . HD* parsed_1rkk 1
68 1 1 . . . . . . . . . 10 . HN parsed_1rkk 1
68 1 2 . . . . . . . . . 9 . HB* parsed_1rkk 1
69 1 1 . . . . . . . . . 10 . HN parsed_1rkk 1
69 1 2 . . . . . . . . . 9 . HD* parsed_1rkk 1
70 1 1 . . . . . . . . . 10 . HN parsed_1rkk 1
70 1 2 . . . . . . . . . 10 . HA parsed_1rkk 1
71 1 1 . . . . . . . . . 10 . HN parsed_1rkk 1
71 1 2 . . . . . . . . . 10 . HB1 parsed_1rkk 1
72 1 1 . . . . . . . . . 10 . HN parsed_1rkk 1
72 1 2 . . . . . . . . . 10 . HB2 parsed_1rkk 1
73 1 1 . . . . . . . . . 10 . HN parsed_1rkk 1
73 1 2 . . . . . . . . . 10 . HG1 parsed_1rkk 1
74 1 1 . . . . . . . . . 10 . HN parsed_1rkk 1
74 1 2 . . . . . . . . . 10 . HG2 parsed_1rkk 1
75 1 1 . . . . . . . . . 10 . HN parsed_1rkk 1
75 1 2 . . . . . . . . . 11 . HN parsed_1rkk 1
76 1 1 . . . . . . . . . 10 . HB1 parsed_1rkk 1
76 1 2 . . . . . . . . . 10 . HA parsed_1rkk 1
77 1 1 . . . . . . . . . 10 . HB2 parsed_1rkk 1
77 1 2 . . . . . . . . . 10 . HA parsed_1rkk 1
78 1 1 . . . . . . . . . 10 . HG* parsed_1rkk 1
78 1 2 . . . . . . . . . 10 . HB1 parsed_1rkk 1
79 1 1 . . . . . . . . . 10 . HG1 parsed_1rkk 1
79 1 2 . . . . . . . . . 10 . HA parsed_1rkk 1
80 1 1 . . . . . . . . . 10 . HG1 parsed_1rkk 1
80 1 2 . . . . . . . . . 10 . HB2 parsed_1rkk 1
81 1 1 . . . . . . . . . 10 . HG2 parsed_1rkk 1
81 1 2 . . . . . . . . . 10 . HA parsed_1rkk 1
82 1 1 . . . . . . . . . 10 . HG2 parsed_1rkk 1
82 1 2 . . . . . . . . . 10 . HB* parsed_1rkk 1
83 1 1 . . . . . . . . . 11 . HN parsed_1rkk 1
83 1 2 . . . . . . . . . 10 . HA parsed_1rkk 1
84 1 1 . . . . . . . . . 11 . HN parsed_1rkk 1
84 1 2 . . . . . . . . . 10 . HB* parsed_1rkk 1
85 1 1 . . . . . . . . . 11 . HN parsed_1rkk 1
85 1 2 . . . . . . . . . 11 . HA* parsed_1rkk 1
86 1 1 . . . . . . . . . 11 . HN parsed_1rkk 1
86 1 2 . . . . . . . . . 12 . HN parsed_1rkk 1
87 1 1 . . . . . . . . . 12 . HN parsed_1rkk 1
87 1 2 . . . . . . . . . 10 . HA parsed_1rkk 1
88 1 1 . . . . . . . . . 12 . HN parsed_1rkk 1
88 1 2 . . . . . . . . . 11 . HA1 parsed_1rkk 1
89 1 1 . . . . . . . . . 12 . HN parsed_1rkk 1
89 1 2 . . . . . . . . . 11 . HA2 parsed_1rkk 1
90 1 1 . . . . . . . . . 12 . HN parsed_1rkk 1
90 1 2 . . . . . . . . . 12 . HB1 parsed_1rkk 1
91 1 1 . . . . . . . . . 12 . HN parsed_1rkk 1
91 1 2 . . . . . . . . . 12 . HB2 parsed_1rkk 1
92 1 1 . . . . . . . . . 12 . HN parsed_1rkk 1
92 1 2 . . . . . . . . . 12 . HD* parsed_1rkk 1
93 1 1 . . . . . . . . . 13 . HA parsed_1rkk 1
93 1 2 . . . . . . . . . 13 . HB* parsed_1rkk 1
94 1 1 . . . . . . . . . 13 . HA parsed_1rkk 1
94 1 2 . . . . . . . . . 14 . HD* parsed_1rkk 1
95 1 1 . . . . . . . . . 13 . HN parsed_1rkk 1
95 1 2 . . . . . . . . . 11 . HN parsed_1rkk 1
96 1 1 . . . . . . . . . 13 . HN parsed_1rkk 1
96 1 2 . . . . . . . . . 12 . HA parsed_1rkk 1
97 1 1 . . . . . . . . . 13 . HN parsed_1rkk 1
97 1 2 . . . . . . . . . 12 . HB1 parsed_1rkk 1
98 1 1 . . . . . . . . . 13 . HN parsed_1rkk 1
98 1 2 . . . . . . . . . 12 . HB2 parsed_1rkk 1
99 1 1 . . . . . . . . . 13 . HN parsed_1rkk 1
99 1 2 . . . . . . . . . 12 . HD* parsed_1rkk 1
100 1 1 . . . . . . . . . 13 . HN parsed_1rkk 1
100 1 2 . . . . . . . . . 13 . HA parsed_1rkk 1
101 1 1 . . . . . . . . . 13 . HN parsed_1rkk 1
101 1 2 . . . . . . . . . 13 . HB1 parsed_1rkk 1
102 1 1 . . . . . . . . . 13 . HN parsed_1rkk 1
102 1 2 . . . . . . . . . 13 . HB2 parsed_1rkk 1
103 1 1 . . . . . . . . . 14 . HN parsed_1rkk 1
103 1 2 . . . . . . . . . 7 . HA parsed_1rkk 1
104 1 1 . . . . . . . . . 14 . HN parsed_1rkk 1
104 1 2 . . . . . . . . . 7 . HB parsed_1rkk 1
105 1 1 . . . . . . . . . 14 . HN parsed_1rkk 1
105 1 2 . . . . . . . . . 7 . HN parsed_1rkk 1
106 1 1 . . . . . . . . . 14 . HN parsed_1rkk 1
106 1 2 . . . . . . . . . 8 . HA parsed_1rkk 1
107 1 1 . . . . . . . . . 14 . HN parsed_1rkk 1
107 1 2 . . . . . . . . . 13 . HA parsed_1rkk 1
108 1 1 . . . . . . . . . 14 . HN parsed_1rkk 1
108 1 2 . . . . . . . . . 13 . HN parsed_1rkk 1
109 1 1 . . . . . . . . . 14 . HN parsed_1rkk 1
109 1 2 . . . . . . . . . 13 . HB* parsed_1rkk 1
110 1 1 . . . . . . . . . 14 . HN parsed_1rkk 1
110 1 2 . . . . . . . . . 14 . HB* parsed_1rkk 1
111 1 1 . . . . . . . . . 14 . HN parsed_1rkk 1
111 1 2 . . . . . . . . . 14 . HD* parsed_1rkk 1
112 1 1 . . . . . . . . . 14 . HN parsed_1rkk 1
112 1 2 . . . . . . . . . 15 . HN parsed_1rkk 1
113 1 1 . . . . . . . . . 14 . HD* parsed_1rkk 1
113 1 2 . . . . . . . . . 14 . HB* parsed_1rkk 1
114 1 1 . . . . . . . . . 14 . HE* parsed_1rkk 1
114 1 2 . . . . . . . . . 16 . HB* parsed_1rkk 1
115 1 1 . . . . . . . . . 15 . HN parsed_1rkk 1
115 1 2 . . . . . . . . . 14 . HD* parsed_1rkk 1
116 1 1 . . . . . . . . . 15 . HN parsed_1rkk 1
116 1 2 . . . . . . . . . 15 . HB* parsed_1rkk 1
117 1 1 . . . . . . . . . 15 . HN parsed_1rkk 1
117 1 2 . . . . . . . . . 15 . HD* parsed_1rkk 1
118 1 1 . . . . . . . . . 15 . HN parsed_1rkk 1
118 1 2 . . . . . . . . . 15 . HG1 parsed_1rkk 1
119 1 1 . . . . . . . . . 15 . HN parsed_1rkk 1
119 1 2 . . . . . . . . . 15 . HG2 parsed_1rkk 1
120 1 1 . . . . . . . . . 16 . HN parsed_1rkk 1
120 1 2 . . . . . . . . . 4 . HA parsed_1rkk 1
121 1 1 . . . . . . . . . 16 . HN parsed_1rkk 1
121 1 2 . . . . . . . . . 4 . HB1 parsed_1rkk 1
122 1 1 . . . . . . . . . 16 . HN parsed_1rkk 1
122 1 2 . . . . . . . . . 4 . HB2 parsed_1rkk 1
123 1 1 . . . . . . . . . 16 . HN parsed_1rkk 1
123 1 2 . . . . . . . . . 5 . HB* parsed_1rkk 1
124 1 1 . . . . . . . . . 16 . HN parsed_1rkk 1
124 1 2 . . . . . . . . . 15 . HA parsed_1rkk 1
125 1 1 . . . . . . . . . 16 . HN parsed_1rkk 1
125 1 2 . . . . . . . . . 15 . HN parsed_1rkk 1
126 1 1 . . . . . . . . . 16 . HN parsed_1rkk 1
126 1 2 . . . . . . . . . 15 . HB* parsed_1rkk 1
127 1 1 . . . . . . . . . 16 . HN parsed_1rkk 1
127 1 2 . . . . . . . . . 16 . HB1 parsed_1rkk 1
128 1 1 . . . . . . . . . 16 . HN parsed_1rkk 1
128 1 2 . . . . . . . . . 16 . HB2 parsed_1rkk 1
129 1 1 . . . . . . . . . 16 . HN parsed_1rkk 1
129 1 2 . . . . . . . . . 16 . HG* parsed_1rkk 1
130 1 1 . . . . . . . . . 16 . HB* parsed_1rkk 1
130 1 2 . . . . . . . . . 16 . HA parsed_1rkk 1
131 1 1 . . . . . . . . . 17 . HN parsed_1rkk 1
131 1 2 . . . . . . . . . 16 . HA parsed_1rkk 1
132 1 1 . . . . . . . . . 17 . HN parsed_1rkk 1
132 1 2 . . . . . . . . . 16 . HB1 parsed_1rkk 1
133 1 1 . . . . . . . . . 17 . HN parsed_1rkk 1
133 1 2 . . . . . . . . . 16 . HB2 parsed_1rkk 1
134 1 1 . . . . . . . . . 17 . HN parsed_1rkk 1
134 1 2 . . . . . . . . . 16 . HD* parsed_1rkk 1
135 1 1 . . . . . . . . . 17 . HN parsed_1rkk 1
135 1 2 . . . . . . . . . 16 . HG* parsed_1rkk 1
136 1 1 . . . . . . . . . 17 . HN parsed_1rkk 1
136 1 2 . . . . . . . . . 17 . HA parsed_1rkk 1
137 1 1 . . . . . . . . . 17 . HN parsed_1rkk 1
137 1 2 . . . . . . . . . 17 . HB1 parsed_1rkk 1
138 1 1 . . . . . . . . . 17 . HN parsed_1rkk 1
138 1 2 . . . . . . . . . 17 . HB2 parsed_1rkk 1
139 1 1 . . . . . . . . . 18 . HN parsed_1rkk 1
139 1 2 . . . . . . . . . 3 . HB* parsed_1rkk 1
140 1 1 . . . . . . . . . 18 . HN parsed_1rkk 1
140 1 2 . . . . . . . . . 17 . HA parsed_1rkk 1
141 1 1 . . . . . . . . . 18 . HN parsed_1rkk 1
141 1 2 . . . . . . . . . 17 . HN parsed_1rkk 1
142 1 1 . . . . . . . . . 18 . HN parsed_1rkk 1
142 1 2 . . . . . . . . . 17 . HB1 parsed_1rkk 1
143 1 1 . . . . . . . . . 18 . HN parsed_1rkk 1
143 1 2 . . . . . . . . . 17 . HB2 parsed_1rkk 1
144 1 1 . . . . . . . . . 18 . HN parsed_1rkk 1
144 1 2 . . . . . . . . . 18 . HB* parsed_1rkk 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 . . . . . 2.3 2.0 2.6 parsed_1rkk 1
2 1 . . . . . 3.7 2.8 4.6 parsed_1rkk 1
3 1 . . . . . 3.1 2.3 3.9 parsed_1rkk 1
4 1 . . . . . 4.8 3.1 6.5 parsed_1rkk 1
5 1 . . . . . 4.8 3.1 6.5 parsed_1rkk 1
6 1 . . . . . 2.1 1.9 2.3 parsed_1rkk 1
7 1 . . . . . 3.4 2.5 4.3 parsed_1rkk 1
8 1 . . . . . 3.7 2.4 5.0 parsed_1rkk 1
9 1 . . . . . 3.7 2.4 5.0 parsed_1rkk 1
10 1 . . . . . 4.1 3.1 5.1 parsed_1rkk 1
11 1 . . . . . 4.4 3.3 5.5 parsed_1rkk 1
12 1 . . . . . 4.4 3.3 5.6 parsed_1rkk 1
13 1 . . . . . 3.5 3.1 4.0 parsed_1rkk 1
14 1 . . . . . 4.2 2.4 6.0 parsed_1rkk 1
15 1 . . . . . 4.2 2.4 6.0 parsed_1rkk 1
16 1 . . . . . 3.6 2.2 5.0 parsed_1rkk 1
17 1 . . . . . 4.3 2.9 5.7 parsed_1rkk 1
18 1 . . . . . 4.7 3.2 6.2 parsed_1rkk 1
19 1 . . . . . 4.0 3.0 5.0 parsed_1rkk 1
20 1 . . . . . 2.1 1.8 2.4 parsed_1rkk 1
21 1 . . . . . 4.0 2.6 5.4 parsed_1rkk 1
22 1 . . . . . 4.0 2.6 5.4 parsed_1rkk 1
23 1 . . . . . 2.9 2.5 3.3 parsed_1rkk 1
24 1 . . . . . 3.8 2.3 5.3 parsed_1rkk 1
25 1 . . . . . 3.8 2.3 5.3 parsed_1rkk 1
26 1 . . . . . 2.0 1.8 2.2 parsed_1rkk 1
27 1 . . . . . 4.5 3.6 5.4 parsed_1rkk 1
28 1 . . . . . 3.1 2.2 4.0 parsed_1rkk 1
29 1 . . . . . 3.8 2.4 5.1 parsed_1rkk 1
30 1 . . . . . 3.8 2.4 5.1 parsed_1rkk 1
31 1 . . . . . 4.0 2.6 5.4 parsed_1rkk 1
32 1 . . . . . 4.3 2.1 6.5 parsed_1rkk 1
33 1 . . . . . 4.3 2.1 6.5 parsed_1rkk 1
34 1 . . . . . 4.6 3.1 6.1 parsed_1rkk 1
35 1 . . . . . 3.4 2.2 4.6 parsed_1rkk 1
36 1 . . . . . 3.4 2.2 4.6 parsed_1rkk 1
37 1 . . . . . 3.8 2.9 4.8 parsed_1rkk 1
38 1 . . . . . 2.9 2.5 3.3 parsed_1rkk 1
39 1 . . . . . 4.0 3.0 5.0 parsed_1rkk 1
40 1 . . . . . 3.7 2.8 4.6 parsed_1rkk 1
41 1 . . . . . 2.6 2.2 3.0 parsed_1rkk 1
42 1 . . . . . 4.3 2.8 5.8 parsed_1rkk 1
43 1 . . . . . 4.3 2.8 5.8 parsed_1rkk 1
44 1 . . . . . 3.5 3.1 4.0 parsed_1rkk 1
45 1 . . . . . 3.5 3.0 3.9 parsed_1rkk 1
46 1 . . . . . 4.5 3.4 5.6 parsed_1rkk 1
47 1 . . . . . 3.7 2.5 4.9 parsed_1rkk 1
48 1 . . . . . 3.7 2.5 4.9 parsed_1rkk 1
49 1 . . . . . 2.2 1.9 2.5 parsed_1rkk 1
50 1 . . . . . 2.0 1.7 2.3 parsed_1rkk 1
51 1 . . . . . 4.2 2.9 5.4 parsed_1rkk 1
52 1 . . . . . 4.2 2.9 5.4 parsed_1rkk 1
53 1 . . . . . 2.8 2.4 3.2 parsed_1rkk 1
54 1 . . . . . 3.7 2.8 4.6 parsed_1rkk 1
55 1 . . . . . 3.8 3.3 4.3 parsed_1rkk 1
56 1 . . . . . 4.8 3.7 6.0 parsed_1rkk 1
57 1 . . . . . 2.0 1.8 2.2 parsed_1rkk 1
58 1 . . . . . 4.1 2.7 5.5 parsed_1rkk 1
59 1 . . . . . 4.1 2.7 5.5 parsed_1rkk 1
60 1 . . . . . 3.0 2.2 3.9 parsed_1rkk 1
61 1 . . . . . 4.6 3.1 6.1 parsed_1rkk 1
62 1 . . . . . 3.4 3.0 3.8 parsed_1rkk 1
63 1 . . . . . 2.8 2.4 3.2 parsed_1rkk 1
64 1 . . . . . 3.9 3.0 4.8 parsed_1rkk 1
65 1 . . . . . 2.9 2.5 3.3 parsed_1rkk 1
66 1 . . . . . 3.8 1.8 5.8 parsed_1rkk 1
67 1 . . . . . 3.5 2.6 4.3 parsed_1rkk 1
68 1 . . . . . 3.5 2.6 4.3 parsed_1rkk 1
69 1 . . . . . 4.4 3.0 5.8 parsed_1rkk 1
70 1 . . . . . 2.1 1.9 2.3 parsed_1rkk 1
71 1 . . . . . 4.3 3.0 5.7 parsed_1rkk 1
72 1 . . . . . 4.3 3.0 5.7 parsed_1rkk 1
73 1 . . . . . 4.0 2.6 5.3 parsed_1rkk 1
74 1 . . . . . 4.0 2.6 5.3 parsed_1rkk 1
75 1 . . . . . 3.0 2.7 3.4 parsed_1rkk 1
76 1 . . . . . 3.5 2.2 4.8 parsed_1rkk 1
77 1 . . . . . 3.5 2.2 4.8 parsed_1rkk 1
78 1 . . . . . 3.9 2.3 5.5 parsed_1rkk 1
79 1 . . . . . 4.2 2.9 5.5 parsed_1rkk 1
80 1 . . . . . 2.8 2.4 3.2 parsed_1rkk 1
81 1 . . . . . 3.5 2.3 4.7 parsed_1rkk 1
82 1 . . . . . 4.0 2.3 5.7 parsed_1rkk 1
83 1 . . . . . 2.5 2.2 2.9 parsed_1rkk 1
84 1 . . . . . 3.6 2.7 4.5 parsed_1rkk 1
85 1 . . . . . 2.8 2.0 3.6 parsed_1rkk 1
86 1 . . . . . 2.8 2.4 3.2 parsed_1rkk 1
87 1 . . . . . 4.2 3.4 5.0 parsed_1rkk 1
88 1 . . . . . 3.9 2.6 5.2 parsed_1rkk 1
89 1 . . . . . 3.9 2.6 5.2 parsed_1rkk 1
90 1 . . . . . 3.4 2.2 4.6 parsed_1rkk 1
91 1 . . . . . 3.4 2.2 4.6 parsed_1rkk 1
92 1 . . . . . 4.7 3.2 6.2 parsed_1rkk 1
93 1 . . . . . 3.0 2.2 3.8 parsed_1rkk 1
94 1 . . . . . 4.3 2.9 5.7 parsed_1rkk 1
95 1 . . . . . 4.5 3.6 5.4 parsed_1rkk 1
96 1 . . . . . 2.0 1.7 2.3 parsed_1rkk 1
97 1 . . . . . 3.9 2.6 5.2 parsed_1rkk 1
98 1 . . . . . 3.9 2.6 5.2 parsed_1rkk 1
99 1 . . . . . 4.8 3.3 6.3 parsed_1rkk 1
100 1 . . . . . 2.9 2.5 3.3 parsed_1rkk 1
101 1 . . . . . 3.7 2.1 5.2 parsed_1rkk 1
102 1 . . . . . 3.7 2.1 5.2 parsed_1rkk 1
103 1 . . . . . 3.9 3.3 4.5 parsed_1rkk 1
104 1 . . . . . 3.7 3.2 4.2 parsed_1rkk 1
105 1 . . . . . 2.5 2.2 2.9 parsed_1rkk 1
106 1 . . . . . 3.0 2.6 3.7 parsed_1rkk 1
107 1 . . . . . 2.0 1.8 2.2 parsed_1rkk 1
108 1 . . . . . 4.7 3.6 5.7 parsed_1rkk 1
109 1 . . . . . 3.3 2.5 4.1 parsed_1rkk 1
110 1 . . . . . 3.2 2.4 4.0 parsed_1rkk 1
111 1 . . . . . 3.9 2.5 5.3 parsed_1rkk 1
112 1 . . . . . 4.3 3.5 5.2 parsed_1rkk 1
113 1 . . . . . 3.5 1.8 5.3 parsed_1rkk 1
114 1 . . . . . 4.6 2.7 6.4 parsed_1rkk 1
115 1 . . . . . 4.5 3.0 6.0 parsed_1rkk 1
116 1 . . . . . 2.7 1.9 3.5 parsed_1rkk 1
117 1 . . . . . 3.6 2.7 4.5 parsed_1rkk 1
118 1 . . . . . 4.7 3.0 6.3 parsed_1rkk 1
119 1 . . . . . 4.7 3.0 6.3 parsed_1rkk 1
120 1 . . . . . 3.2 2.8 3.6 parsed_1rkk 1
121 1 . . . . . 4.5 3.0 6.0 parsed_1rkk 1
122 1 . . . . . 4.5 3.0 6.0 parsed_1rkk 1
123 1 . . . . . 4.2 3.2 5.2 parsed_1rkk 1
124 1 . . . . . 2.2 1.9 2.5 parsed_1rkk 1
125 1 . . . . . 3.5 3.1 4.0 parsed_1rkk 1
126 1 . . . . . 3.8 2.9 4.7 parsed_1rkk 1
127 1 . . . . . 3.6 2.3 4.9 parsed_1rkk 1
128 1 . . . . . 3.6 2.3 4.9 parsed_1rkk 1
129 1 . . . . . 3.6 2.7 4.5 parsed_1rkk 1
130 1 . . . . . 3.4 2.5 4.3 parsed_1rkk 1
131 1 . . . . . 2.0 1.8 2.2 parsed_1rkk 1
132 1 . . . . . 4.1 2.8 5.4 parsed_1rkk 1
133 1 . . . . . 4.1 2.8 5.4 parsed_1rkk 1
134 1 . . . . . 4.5 3.4 5.7 parsed_1rkk 1
135 1 . . . . . 4.0 3.0 5.0 parsed_1rkk 1
136 1 . . . . . 2.8 2.4 3.2 parsed_1rkk 1
137 1 . . . . . 3.8 2.1 5.5 parsed_1rkk 1
138 1 . . . . . 3.8 2.1 5.5 parsed_1rkk 1
139 1 . . . . . 4.4 3.3 5.5 parsed_1rkk 1
140 1 . . . . . 2.1 1.9 2.3 parsed_1rkk 1
141 1 . . . . . 4.1 3.4 4.8 parsed_1rkk 1
142 1 . . . . . 4.0 2.6 5.3 parsed_1rkk 1
143 1 . . . . . 4.0 2.6 5.3 parsed_1rkk 1
144 1 . . . . . 3.6 2.7 4.5 parsed_1rkk 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
;
assign ( resid 3 and name HE1 ) (resid 5 and name HB* ) 6.4 2.7 2.8
assign ( resid 3 and name HE1 ) (resid 5 and name HD* ) 6.2 2.6 2.6
assign ( resid 3 and name HE3 ) (resid 5 and name HB1 ) 5.1 2.1 2.1
assign ( resid 3 and name HE3 ) (resid 5 and name HB2 ) 5.1 2.1 2.1
assign ( resid 3 and name HZ2 ) (resid 1 and name HB* ) 5.1 1.7 1.7
;
19 1 23 75 parsed_1rkk 1
2
;
assign ( resid 3 and name HZ2 ) (resid 3 and name HB1 ) 4.3 1.7 2.0
assign ( resid 3 and name HZ2 ) (resid 3 and name HB2 ) 4.3 1.7 2.0
assign ( resid 3 and name HZ2 ) (resid 5 and name HB* ) 5.0 1.6 1.6
;
25 1 27 75 parsed_1rkk 1
3
;
assign ( resid 5 and name HD* ) (resid 7 and name HG1* ) 5.2 2.5 2.4
assign ( resid 5 and name HD* ) (resid 7 and name HG2* ) 5.2 2.5 2.4
assign ( resid 5 and name HE* ) (resid 3 and name HB* ) 5.7 2.3 2.2
assign ( resid 5 and name HE* ) (resid 7 and name HG1* ) 5.2 2.6 2.5
assign ( resid 5 and name HE* ) (resid 7 and name HG2* ) 5.2 2.6 2.5
;
43 1 47 75 parsed_1rkk 1
4 "assign ( resid 9 and name HD* ) (resid 10 and name HB* ) 4.9 1.9 1.9" 81 1 81 75 parsed_1rkk 1
5
;
assign ( resid 12 and name HN ) (resid 10 and name HB1 ) 5.2 1.7 1.6
assign ( resid 12 and name HN ) (resid 10 and name HB2 ) 5.2 1.7 1.6
;
103 1 104 75 parsed_1rkk 1
6
;
assign ( resid 12 and name HD* ) (resid 12 and name HB1 ) 4.4 2.2 2.2
assign ( resid 12 and name HD* ) (resid 12 and name HB2 ) 4.4 2.2 2.2
;
110 1 111 75 parsed_1rkk 1
7
;
assign ( resid 14 and name HD* ) (resid 7 and name HG1* ) 6.0 2.6 2.6
assign ( resid 14 and name HD* ) (resid 7 and name HG2* ) 6.0 2.6 2.6
;
132 1 133 75 parsed_1rkk 1
8
;
assign ( resid 14 and name HE* ) (resid 7 and name HB ) 5.2 1.7 1.7
assign ( resid 14 and name HE* ) (resid 7 and name HG1* ) 5.3 2.3 2.3
assign ( resid 14 and name HE* ) (resid 7 and name HG2* ) 5.3 2.3 2.3
assign ( resid 14 and name HE* ) (resid 12 and name HB1 ) 5.0 2.5 2.5
assign ( resid 14 and name HE* ) (resid 12 and name HB2 ) 5.0 2.5 2.5
;
135 1 139 75 parsed_1rkk 1
9
;
assign ( resid 14 and name HE* ) (resid 16 and name HD* ) 5.0 1.9 2.0
assign ( resid 14 and name HE* ) (resid 16 and name HG* ) 5.2 2.0 1.9
;
141 1 142 75 parsed_1rkk 1
10 "assign ( resid 15 and name HN ) (resid 15 and name HA ) 2.1 0.2 0.4" 144 1 144 75 parsed_1rkk 1
11 "assign ( resid 16 and name HN ) (resid 7 and name HG* ) 5.2 1.9 1.8" 153 1 153 75 parsed_1rkk 1
12
;
assign ( resid 19 and name HN* ) (resid 18 and name HA ) 3.0 0.8 0.9
assign ( resid 19 and name HN* ) (resid 18 and name HB* ) 4.6 1.5 1.5
;
175 1 176 75 parsed_1rkk 1
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 5:45:03 AM GMT (wattos1)