NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
51703 |
2k9j   |
16497 | cing | 2-parsed | STAR | entry | full | 277 |
data_2k9j_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k9j
_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_2k9j 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k9j
_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 2k9j "Master copy" parsed_2k9j
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k9j
_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 2k9j.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k9j 1
1 2k9j.mr . . XPLOR/CNS 2 distance NOE simple 127 parsed_2k9j 1
1 2k9j.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 150 parsed_2k9j 1
1 2k9j.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k9j 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_2k9j
_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 MEMBRANE PROTEIN 15-OCT-08 2K9J
*TITLE INTEGRIN ALPHAIIB-BETA3 TRANSMEMBRANE COMPLEX
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: INTEGRIN ALPHA-IIB LIGHT CHAIN;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: TRANSMEMBRANE DOMAIN;
*COMPND 5 ENGINEERED: YES;
*COMPND 6 MOL_ID: 2;
*COMPND 7 MOLECULE: INTEGRIN BETA-3;
*COMPND 8 CHAIN: B;
*COMPND 9 FRAGMENT: TRANSMEMBRANE DOMAIN;
*COMPND 10 SYNONYM: PLATELET MEMBRANE GLYCOPROTEIN IIIA, GPIIIA, CD61
*COMPND 11 ANTIGEN;
*COMPND 12 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 ORGANISM_TAXID: 9606;
*SOURCE 5 GENE: ITGA2B, GP2B, ITGAB;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET44-GB3-AIIB,TM;
*SOURCE 9 MOL_ID: 2;
*SOURCE 10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 11 ORGANISM_COMMON: HUMAN;
*SOURCE 12 ORGANISM_TAXID: 9606;
*SOURCE 13 GENE: ITGB3, GP3A;
*SOURCE 14 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 15 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 16 EXPRESSION_SYSTEM_VECTOR: PET44-KSI-B3TM
*KEYWDS INTEGRIN, TRANSMEMBRANE COMPLEX, ALTERNATIVE SPLICING,
*KEYWDS 2 CALCIUM, CELL ADHESION, CLEAVAGE ON PAIR OF BASIC RESIDUES,
*KEYWDS 3 DISEASE MUTATION, GLYCOPROTEIN, POLYMORPHISM, PYRROLIDONE
*KEYWDS 4 CARBOXYLIC ACID, RECEPTOR, HOST-VIRUS INTERACTION,
*KEYWDS 5 PHOSPHOPROTEIN, MEMBRANE PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 21
*AUTHOR T.LAU, C.KIM, M.H.GINSBERG, T.S.ULMER
*REVDAT 2 07-APR-09 2K9J 1
*REVDAT 1 24-MAR-09 2K9J 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2k9j
_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_2k9j 1
2 1 . . . parsed_2k9j 1
3 1 . . . parsed_2k9j 1
4 1 . . . parsed_2k9j 1
5 1 . . . parsed_2k9j 1
6 1 . . . parsed_2k9j 1
7 1 . . . parsed_2k9j 1
8 1 . . . parsed_2k9j 1
9 1 . . . parsed_2k9j 1
10 1 . . . parsed_2k9j 1
11 1 . . . parsed_2k9j 1
12 1 . . . parsed_2k9j 1
13 1 . . . parsed_2k9j 1
14 1 . . . parsed_2k9j 1
15 1 . . . parsed_2k9j 1
16 1 . . . parsed_2k9j 1
17 1 . . . parsed_2k9j 1
18 1 . . . parsed_2k9j 1
19 1 . . . parsed_2k9j 1
20 1 . . . parsed_2k9j 1
21 1 . . . parsed_2k9j 1
22 1 . . . parsed_2k9j 1
23 1 . . . parsed_2k9j 1
24 1 . . . parsed_2k9j 1
25 1 . . . parsed_2k9j 1
26 1 . . . parsed_2k9j 1
27 1 . . . parsed_2k9j 1
28 1 . . . parsed_2k9j 1
29 1 . . . parsed_2k9j 1
30 1 . . . parsed_2k9j 1
31 1 . . . parsed_2k9j 1
32 1 . . . parsed_2k9j 1
33 1 . . . parsed_2k9j 1
34 1 . . . parsed_2k9j 1
35 1 . . . parsed_2k9j 1
36 1 . . . parsed_2k9j 1
37 1 . . . parsed_2k9j 1
38 1 . . . parsed_2k9j 1
39 1 . . . parsed_2k9j 1
40 1 . . . parsed_2k9j 1
41 1 . . . parsed_2k9j 1
42 1 . . . parsed_2k9j 1
43 1 . . . parsed_2k9j 1
44 1 . . . parsed_2k9j 1
45 1 . . . parsed_2k9j 1
46 1 . . . parsed_2k9j 1
47 1 . . . parsed_2k9j 1
48 1 . . . parsed_2k9j 1
49 1 . . . parsed_2k9j 1
50 1 . . . parsed_2k9j 1
51 1 . . . parsed_2k9j 1
52 1 . . . parsed_2k9j 1
53 1 . . . parsed_2k9j 1
54 1 . . . parsed_2k9j 1
55 1 . . . parsed_2k9j 1
56 1 . . . parsed_2k9j 1
57 1 . . . parsed_2k9j 1
58 1 . . . parsed_2k9j 1
59 1 . . . parsed_2k9j 1
60 1 . . . parsed_2k9j 1
61 1 . . . parsed_2k9j 1
62 1 . . . parsed_2k9j 1
63 1 . . . parsed_2k9j 1
64 1 . . . parsed_2k9j 1
65 1 . . . parsed_2k9j 1
66 1 . . . parsed_2k9j 1
67 1 . . . parsed_2k9j 1
68 1 . . . parsed_2k9j 1
69 1 . . . parsed_2k9j 1
70 1 . . . parsed_2k9j 1
71 1 . . . parsed_2k9j 1
72 1 . . . parsed_2k9j 1
73 1 . . . parsed_2k9j 1
74 1 . . . parsed_2k9j 1
75 1 . . . parsed_2k9j 1
76 1 . . . parsed_2k9j 1
77 1 . . . parsed_2k9j 1
78 1 . . . parsed_2k9j 1
79 1 . . . parsed_2k9j 1
80 1 . . . parsed_2k9j 1
81 1 . . . parsed_2k9j 1
82 1 . . . parsed_2k9j 1
83 1 . . . parsed_2k9j 1
84 1 . . . parsed_2k9j 1
85 1 . . . parsed_2k9j 1
86 1 . . . parsed_2k9j 1
87 1 . . . parsed_2k9j 1
88 1 . . . parsed_2k9j 1
89 1 . . . parsed_2k9j 1
90 1 . . . parsed_2k9j 1
91 1 . . . parsed_2k9j 1
92 1 . . . parsed_2k9j 1
93 1 . . . parsed_2k9j 1
94 1 . . . parsed_2k9j 1
95 1 . . . parsed_2k9j 1
96 1 . . . parsed_2k9j 1
97 1 . . . parsed_2k9j 1
98 1 . . . parsed_2k9j 1
99 1 . . . parsed_2k9j 1
100 1 . . . parsed_2k9j 1
101 1 . . . parsed_2k9j 1
102 1 . . . parsed_2k9j 1
103 1 . . . parsed_2k9j 1
104 1 . . . parsed_2k9j 1
105 1 . . . parsed_2k9j 1
106 1 . . . parsed_2k9j 1
107 1 . . . parsed_2k9j 1
108 1 . . . parsed_2k9j 1
109 1 . . . parsed_2k9j 1
110 1 . . . parsed_2k9j 1
111 1 . . . parsed_2k9j 1
112 1 . . . parsed_2k9j 1
113 1 . . . parsed_2k9j 1
114 1 . . . parsed_2k9j 1
115 1 . . . parsed_2k9j 1
116 1 . . . parsed_2k9j 1
117 1 . . . parsed_2k9j 1
118 1 . . . parsed_2k9j 1
119 1 . . . parsed_2k9j 1
120 1 . . . parsed_2k9j 1
121 1 . . . parsed_2k9j 1
122 1 . . . parsed_2k9j 1
123 1 . . . parsed_2k9j 1
124 1 . . . parsed_2k9j 1
125 1 . . . parsed_2k9j 1
126 1 . . . parsed_2k9j 1
127 1 . . . parsed_2k9j 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 . . . . . . . . . 109 . HN parsed_2k9j 1
1 1 2 . . . . . . . . . 110 . HN parsed_2k9j 1
2 1 1 . . . . . . . . . 109 . HN parsed_2k9j 1
2 1 2 . . . . . . . . . 111 . HN parsed_2k9j 1
3 1 1 . . . . . . . . . 110 . HN parsed_2k9j 1
3 1 2 . . . . . . . . . 113 . HN parsed_2k9j 1
4 1 1 . . . . . . . . . 110 . HN parsed_2k9j 1
4 1 2 . . . . . . . . . 108 . HN parsed_2k9j 1
5 1 1 . . . . . . . . . 110 . HN parsed_2k9j 1
5 1 2 . . . . . . . . . 111 . HN parsed_2k9j 1
6 1 1 . . . . . . . . . 111 . HN parsed_2k9j 1
6 1 2 . . . . . . . . . 113 . HN parsed_2k9j 1
7 1 1 . . . . . . . . . 112 . HN parsed_2k9j 1
7 1 2 . . . . . . . . . 111 . HN parsed_2k9j 1
8 1 1 . . . . . . . . . 113 . HN parsed_2k9j 1
8 1 2 . . . . . . . . . 112 . HN parsed_2k9j 1
9 1 1 . . . . . . . . . 114 . HN parsed_2k9j 1
9 1 2 . . . . . . . . . 117 . HN parsed_2k9j 1
10 1 1 . . . . . . . . . 114 . HN parsed_2k9j 1
10 1 2 . . . . . . . . . 112 . HN parsed_2k9j 1
11 1 1 . . . . . . . . . 115 . HN parsed_2k9j 1
11 1 2 . . . . . . . . . 112 . HN parsed_2k9j 1
12 1 1 . . . . . . . . . 115 . HN parsed_2k9j 1
12 1 2 . . . . . . . . . 117 . HN parsed_2k9j 1
13 1 1 . . . . . . . . . 115 . HN parsed_2k9j 1
13 1 2 . . . . . . . . . 114 . HN parsed_2k9j 1
14 1 1 . . . . . . . . . 115 . HN parsed_2k9j 1
14 1 2 . . . . . . . . . 118 . HN parsed_2k9j 1
15 1 1 . . . . . . . . . 116 . HN parsed_2k9j 1
15 1 2 . . . . . . . . . 118 . HN parsed_2k9j 1
16 1 1 . . . . . . . . . 116 . HN parsed_2k9j 1
16 1 2 . . . . . . . . . 113 . HN parsed_2k9j 1
17 1 1 . . . . . . . . . 116 . HN parsed_2k9j 1
17 1 2 . . . . . . . . . 114 . HN parsed_2k9j 1
18 1 1 . . . . . . . . . 117 . HN parsed_2k9j 1
18 1 2 . . . . . . . . . 118 . HN parsed_2k9j 1
19 1 1 . . . . . . . . . 117 . HN parsed_2k9j 1
19 1 2 . . . . . . . . . 116 . HN parsed_2k9j 1
20 1 1 . . . . . . . . . 117 . HN parsed_2k9j 1
20 1 2 . . . . . . . . . 120 . HN parsed_2k9j 1
21 1 1 . . . . . . . . . 118 . HN parsed_2k9j 1
21 1 2 . . . . . . . . . 120 . HN parsed_2k9j 1
22 1 1 . . . . . . . . . 118 . HN parsed_2k9j 1
22 1 2 . . . . . . . . . 119 . HN parsed_2k9j 1
23 1 1 . . . . . . . . . 119 . HN parsed_2k9j 1
23 1 2 . . . . . . . . . 122 . HN parsed_2k9j 1
24 1 1 . . . . . . . . . 120 . HN parsed_2k9j 1
24 1 2 . . . . . . . . . 119 . HN parsed_2k9j 1
25 1 1 . . . . . . . . . 121 . HN parsed_2k9j 1
25 1 2 . . . . . . . . . 120 . HN parsed_2k9j 1
26 1 1 . . . . . . . . . 121 . HN parsed_2k9j 1
26 1 2 . . . . . . . . . 119 . HN parsed_2k9j 1
27 1 1 . . . . . . . . . 121 . HN parsed_2k9j 1
27 1 2 . . . . . . . . . 123 . HN parsed_2k9j 1
28 1 1 . . . . . . . . . 121 . HN parsed_2k9j 1
28 1 2 . . . . . . . . . 118 . HN parsed_2k9j 1
29 1 1 . . . . . . . . . 122 . HN parsed_2k9j 1
29 1 2 . . . . . . . . . 120 . HN parsed_2k9j 1
30 1 1 . . . . . . . . . 122 . HN parsed_2k9j 1
30 1 2 . . . . . . . . . 125 . HN parsed_2k9j 1
31 1 1 . . . . . . . . . 122 . HN parsed_2k9j 1
31 1 2 . . . . . . . . . 121 . HN parsed_2k9j 1
32 1 1 . . . . . . . . . 123 . HN parsed_2k9j 1
32 1 2 . . . . . . . . . 125 . HN parsed_2k9j 1
33 1 1 . . . . . . . . . 124 . HN parsed_2k9j 1
33 1 2 . . . . . . . . . 125 . HN parsed_2k9j 1
34 1 1 . . . . . . . . . 124 . HN parsed_2k9j 1
34 1 2 . . . . . . . . . 123 . HN parsed_2k9j 1
35 1 1 . . . . . . . . . 126 . HN parsed_2k9j 1
35 1 2 . . . . . . . . . 125 . HN parsed_2k9j 1
36 1 1 . . . . . . . . . 126 . HN parsed_2k9j 1
36 1 2 . . . . . . . . . 127 . HN parsed_2k9j 1
37 1 1 . . . . . . . . . 126 . HN parsed_2k9j 1
37 1 2 . . . . . . . . . 128 . HN parsed_2k9j 1
38 1 1 . . . . . . . . . 127 . HN parsed_2k9j 1
38 1 2 . . . . . . . . . 125 . HN parsed_2k9j 1
39 1 1 . . . . . . . . . 128 . HN parsed_2k9j 1
39 1 2 . . . . . . . . . 125 . HN parsed_2k9j 1
40 1 1 . . . . . . . . . 128 . HN parsed_2k9j 1
40 1 2 . . . . . . . . . 127 . HN parsed_2k9j 1
41 1 1 . . . . . . . . . 130 . HN parsed_2k9j 1
41 1 2 . . . . . . . . . 131 . HN parsed_2k9j 1
42 1 1 . . . . . . . . . 130 . HN parsed_2k9j 1
42 1 2 . . . . . . . . . 128 . HN parsed_2k9j 1
43 1 1 . . . . . . . . . 130 . HN parsed_2k9j 1
43 1 2 . . . . . . . . . 127 . HN parsed_2k9j 1
44 1 1 . . . . . . . . . 130 . HN parsed_2k9j 1
44 1 2 . . . . . . . . . 132 . HN parsed_2k9j 1
45 1 1 . . . . . . . . . 131 . HN parsed_2k9j 1
45 1 2 . . . . . . . . . 128 . HN parsed_2k9j 1
46 1 1 . . . . . . . . . 132 . HN parsed_2k9j 1
46 1 2 . . . . . . . . . 133 . HN parsed_2k9j 1
47 1 1 . . . . . . . . . 132 . HN parsed_2k9j 1
47 1 2 . . . . . . . . . 131 . HN parsed_2k9j 1
48 1 1 . . . . . . . . . 133 . HN parsed_2k9j 1
48 1 2 . . . . . . . . . 134 . HN parsed_2k9j 1
49 1 1 . . . . . . . . . 133 . HN parsed_2k9j 1
49 1 2 . . . . . . . . . 136 . HN parsed_2k9j 1
50 1 1 . . . . . . . . . 133 . HN parsed_2k9j 1
50 1 2 . . . . . . . . . 131 . HN parsed_2k9j 1
51 1 1 . . . . . . . . . 134 . HN parsed_2k9j 1
51 1 2 . . . . . . . . . 137 . HN parsed_2k9j 1
52 1 1 . . . . . . . . . 136 . HN parsed_2k9j 1
52 1 2 . . . . . . . . . 137 . HN parsed_2k9j 1
53 1 1 . . . . . . . . . 136 . HN parsed_2k9j 1
53 1 2 . . . . . . . . . 138 . HN parsed_2k9j 1
54 1 1 . . . . . . . . . 136 . HN parsed_2k9j 1
54 1 2 . . . . . . . . . 134 . HN parsed_2k9j 1
55 1 1 . . . . . . . . . 137 . HN parsed_2k9j 1
55 1 2 . . . . . . . . . 138 . HN parsed_2k9j 1
56 1 1 . . . . . . . . . 137 . HN parsed_2k9j 1
56 1 2 . . . . . . . . . 139 . HN parsed_2k9j 1
57 1 1 . . . . . . . . . 138 . HN parsed_2k9j 1
57 1 2 . . . . . . . . . 140 . HN parsed_2k9j 1
58 1 1 . . . . . . . . . 139 . HN parsed_2k9j 1
58 1 2 . . . . . . . . . 140 . HN parsed_2k9j 1
59 1 1 . . . . . . . . . 139 . HN parsed_2k9j 1
59 1 2 . . . . . . . . . 141 . HN parsed_2k9j 1
60 1 1 . . . . . . . . . 139 . HN parsed_2k9j 1
60 1 2 . . . . . . . . . 138 . HN parsed_2k9j 1
61 1 1 . . . . . . . . . 140 . HN parsed_2k9j 1
61 1 2 . . . . . . . . . 141 . HN parsed_2k9j 1
62 1 1 . . . . . . . . . 142 . HN parsed_2k9j 1
62 1 2 . . . . . . . . . 141 . HN parsed_2k9j 1
63 1 1 . . . . . . . . . 13 . HN parsed_2k9j 1
63 1 2 . . . . . . . . . 15 . HN parsed_2k9j 1
64 1 1 . . . . . . . . . 13 . HN parsed_2k9j 1
64 1 2 . . . . . . . . . 14 . HN parsed_2k9j 1
65 1 1 . . . . . . . . . 13 . HN parsed_2k9j 1
65 1 2 . . . . . . . . . 12 . HN parsed_2k9j 1
66 1 1 . . . . . . . . . 15 . HN parsed_2k9j 1
66 1 2 . . . . . . . . . 14 . HN parsed_2k9j 1
67 1 1 . . . . . . . . . 16 . HN parsed_2k9j 1
67 1 2 . . . . . . . . . 17 . HN parsed_2k9j 1
68 1 1 . . . . . . . . . 16 . HN parsed_2k9j 1
68 1 2 . . . . . . . . . 15 . HN parsed_2k9j 1
69 1 1 . . . . . . . . . 17 . HN parsed_2k9j 1
69 1 2 . . . . . . . . . 18 . HN parsed_2k9j 1
70 1 1 . . . . . . . . . 18 . HN parsed_2k9j 1
70 1 2 . . . . . . . . . 19 . HN parsed_2k9j 1
71 1 1 . . . . . . . . . 21 . HN parsed_2k9j 1
71 1 2 . . . . . . . . . 20 . HN parsed_2k9j 1
72 1 1 . . . . . . . . . 21 . HN parsed_2k9j 1
72 1 2 . . . . . . . . . 23 . HN parsed_2k9j 1
73 1 1 . . . . . . . . . 21 . HN parsed_2k9j 1
73 1 2 . . . . . . . . . 19 . HN parsed_2k9j 1
74 1 1 . . . . . . . . . 22 . HN parsed_2k9j 1
74 1 2 . . . . . . . . . 23 . HN parsed_2k9j 1
75 1 1 . . . . . . . . . 22 . HN parsed_2k9j 1
75 1 2 . . . . . . . . . 21 . HN parsed_2k9j 1
76 1 1 . . . . . . . . . 24 . HN parsed_2k9j 1
76 1 2 . . . . . . . . . 23 . HN parsed_2k9j 1
77 1 1 . . . . . . . . . 25 . HN parsed_2k9j 1
77 1 2 . . . . . . . . . 24 . HN parsed_2k9j 1
78 1 1 . . . . . . . . . 25 . HN parsed_2k9j 1
78 1 2 . . . . . . . . . 26 . HN parsed_2k9j 1
79 1 1 . . . . . . . . . 25 . HN parsed_2k9j 1
79 1 2 . . . . . . . . . 23 . HN parsed_2k9j 1
80 1 1 . . . . . . . . . 27 . HN parsed_2k9j 1
80 1 2 . . . . . . . . . 26 . HN parsed_2k9j 1
81 1 1 . . . . . . . . . 28 . HN parsed_2k9j 1
81 1 2 . . . . . . . . . 27 . HN parsed_2k9j 1
82 1 1 . . . . . . . . . 29 . HN parsed_2k9j 1
82 1 2 . . . . . . . . . 26 . HN parsed_2k9j 1
83 1 1 . . . . . . . . . 29 . HN parsed_2k9j 1
83 1 2 . . . . . . . . . 28 . HN parsed_2k9j 1
84 1 1 . . . . . . . . . 29 . HN parsed_2k9j 1
84 1 2 . . . . . . . . . 27 . HN parsed_2k9j 1
85 1 1 . . . . . . . . . 29 . HN parsed_2k9j 1
85 1 2 . . . . . . . . . 31 . HN parsed_2k9j 1
86 1 1 . . . . . . . . . 31 . HN parsed_2k9j 1
86 1 2 . . . . . . . . . 30 . HN parsed_2k9j 1
87 1 1 . . . . . . . . . 32 . HN parsed_2k9j 1
87 1 2 . . . . . . . . . 33 . HN parsed_2k9j 1
88 1 1 . . . . . . . . . 32 . HN parsed_2k9j 1
88 1 2 . . . . . . . . . 31 . HN parsed_2k9j 1
89 1 1 . . . . . . . . . 34 . HN parsed_2k9j 1
89 1 2 . . . . . . . . . 36 . HN parsed_2k9j 1
90 1 1 . . . . . . . . . 34 . HN parsed_2k9j 1
90 1 2 . . . . . . . . . 33 . HN parsed_2k9j 1
91 1 1 . . . . . . . . . 36 . HN parsed_2k9j 1
91 1 2 . . . . . . . . . 35 . HN parsed_2k9j 1
92 1 1 . . . . . . . . . 37 . HN parsed_2k9j 1
92 1 2 . . . . . . . . . 34 . HN parsed_2k9j 1
93 1 1 . . . . . . . . . 37 . HN parsed_2k9j 1
93 1 2 . . . . . . . . . 38 . HN parsed_2k9j 1
94 1 1 . . . . . . . . . 39 . HN parsed_2k9j 1
94 1 2 . . . . . . . . . 40 . HN parsed_2k9j 1
95 1 1 . . . . . . . . . 39 . HN parsed_2k9j 1
95 1 2 . . . . . . . . . 41 . HN parsed_2k9j 1
96 1 1 . . . . . . . . . 40 . HN parsed_2k9j 1
96 1 2 . . . . . . . . . 41 . HN parsed_2k9j 1
97 1 1 . . . . . . . . . 115 . HG parsed_2k9j 1
97 1 2 . . . . . . . . . 111 . O parsed_2k9j 1
98 1 1 . . . . . . . . . 25 . HG1 parsed_2k9j 1
98 1 2 . . . . . . . . . 21 . O parsed_2k9j 1
99 1 1 . . . . . . . . . 136 . HG1 parsed_2k9j 1
99 1 2 . . . . . . . . . 132 . O parsed_2k9j 1
100 1 1 . . . . . . . . . 138 . ND1 parsed_2k9j 1
100 1 2 . . . . . . . . . 134 . O parsed_2k9j 1
101 1 1 . . . . . . . . . 13 . HG2# parsed_2k9j 1
101 1 2 . . . . . . . . . 113 . HA parsed_2k9j 1
102 1 1 . . . . . . . . . 13 . HG2# parsed_2k9j 1
102 1 2 . . . . . . . . . 113 . HB# parsed_2k9j 1
103 1 1 . . . . . . . . . 13 . HG2# parsed_2k9j 1
103 1 2 . . . . . . . . . 116 . HA parsed_2k9j 1
104 1 1 . . . . . . . . . 23 . HD1# parsed_2k9j 1
104 1 2 . . . . . . . . . 124 . HA# parsed_2k9j 1
105 1 1 . . . . . . . . . 23 . HD2# parsed_2k9j 1
105 1 2 . . . . . . . . . 121 . HA parsed_2k9j 1
106 1 1 . . . . . . . . . 24 . HD1# parsed_2k9j 1
106 1 2 . . . . . . . . . 125 . HA parsed_2k9j 1
107 1 1 . . . . . . . . . 24 . HD1# parsed_2k9j 1
107 1 2 . . . . . . . . . 125 . HB# parsed_2k9j 1
108 1 1 . . . . . . . . . 24 . HD2# parsed_2k9j 1
108 1 2 . . . . . . . . . 124 . HA# parsed_2k9j 1
109 1 1 . . . . . . . . . 28 . HG2# parsed_2k9j 1
109 1 2 . . . . . . . . . 128 . HB# parsed_2k9j 1
110 1 1 . . . . . . . . . 109 . HD1# parsed_2k9j 1
110 1 2 . . . . . . . . . 10 . HA parsed_2k9j 1
111 1 1 . . . . . . . . . 109 . HD1# parsed_2k9j 1
111 1 2 . . . . . . . . . 12 . HA parsed_2k9j 1
112 1 1 . . . . . . . . . 113 . HD1# parsed_2k9j 1
112 1 2 . . . . . . . . . 12 . HA parsed_2k9j 1
113 1 1 . . . . . . . . . 113 . HD1# parsed_2k9j 1
113 1 2 . . . . . . . . . 13 . HA parsed_2k9j 1
114 1 1 . . . . . . . . . 116 . HG2# parsed_2k9j 1
114 1 2 . . . . . . . . . 17 . HB parsed_2k9j 1
115 1 1 . . . . . . . . . 116 . HG2# parsed_2k9j 1
115 1 2 . . . . . . . . . 16 . HA# parsed_2k9j 1
116 1 1 . . . . . . . . . 120 . HD1# parsed_2k9j 1
116 1 2 . . . . . . . . . 20 . HA# parsed_2k9j 1
117 1 1 . . . . . . . . . 121 . HD# parsed_2k9j 1
117 1 2 . . . . . . . . . 23 . HB# parsed_2k9j 1
118 1 1 . . . . . . . . . 121 . HD# parsed_2k9j 1
118 1 2 . . . . . . . . . 23 . HA parsed_2k9j 1
119 1 1 . . . . . . . . . 135 . HD1# parsed_2k9j 1
119 1 2 . . . . . . . . . 36 . HA parsed_2k9j 1
120 1 1 . . . . . . . . . 135 . HD1# parsed_2k9j 1
120 1 2 . . . . . . . . . 36 . HB1 parsed_2k9j 1
121 1 1 . . . . . . . . . 135 . HD1# parsed_2k9j 1
121 1 2 . . . . . . . . . 36 . HB2 parsed_2k9j 1
122 1 1 . . . . . . . . . 135 . HD1# parsed_2k9j 1
122 1 2 . . . . . . . . . 37 . HA parsed_2k9j 1
123 1 1 . . . . . . . . . 135 . HD1# parsed_2k9j 1
123 1 2 . . . . . . . . . 39 . HB1 parsed_2k9j 1
124 1 1 . . . . . . . . . 135 . HD1# parsed_2k9j 1
124 1 2 . . . . . . . . . 39 . HB2 parsed_2k9j 1
125 1 1 . . . . . . . . . 135 . HD1# parsed_2k9j 1
125 1 2 . . . . . . . . . 39 . HG# parsed_2k9j 1
126 1 1 . . . . . . . . . 39 . HH12 parsed_2k9j 1
126 1 2 . . . . . . . . . 139 . OD1 parsed_2k9j 1
127 1 1 . . . . . . . . . 39 . HH22 parsed_2k9j 1
127 1 2 . . . . . . . . . 139 . OD2 parsed_2k9j 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.0 1.8 3.5 parsed_2k9j 1
2 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
3 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
4 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
5 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
6 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
7 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
8 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
9 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
10 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
11 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
12 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
13 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
14 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
15 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
16 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
17 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
18 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
19 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
20 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
21 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
22 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
23 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
24 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
25 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
26 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
27 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
28 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
29 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
30 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
31 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
32 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
33 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
34 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
35 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
36 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
37 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
38 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
39 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
40 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
41 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
42 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
43 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
44 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
45 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
46 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
47 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
48 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
49 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
50 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
51 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
52 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
53 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
54 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
55 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
56 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
57 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
58 1 . . . . . 3.0 1.8 3.5 parsed_2k9j 1
59 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
60 1 . . . . . 3.0 1.8 3.5 parsed_2k9j 1
61 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
62 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
63 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
64 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
65 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
66 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
67 1 . . . . . 3.0 1.8 3.5 parsed_2k9j 1
68 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
69 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
70 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
71 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
72 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
73 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
74 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
75 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
76 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
77 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
78 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
79 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
80 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
81 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
82 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
83 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
84 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
85 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
86 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
87 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
88 1 . . . . . 2.5 1.8 2.9 parsed_2k9j 1
89 1 . . . . . 3.0 1.8 3.5 parsed_2k9j 1
90 1 . . . . . 3.0 1.8 3.5 parsed_2k9j 1
91 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
92 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
93 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
94 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
95 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
96 1 . . . . . 4.0 1.8 5.0 parsed_2k9j 1
97 1 . . . . . 1.87 1.75 1.99 parsed_2k9j 1
98 1 . . . . . 1.87 1.75 1.99 parsed_2k9j 1
99 1 . . . . . 1.87 1.75 1.99 parsed_2k9j 1
100 1 . . . . . 2.85 2.76 2.94 parsed_2k9j 1
101 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
102 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
103 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
104 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
105 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
106 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
107 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
108 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
109 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
110 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
111 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
112 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
113 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
114 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
115 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
116 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
117 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
118 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
119 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
120 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
121 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
122 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
123 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
124 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
125 1 . . . . . 4.0 1.8 5.5 parsed_2k9j 1
126 1 . . . . . 1.9 1.7 2.1 parsed_2k9j 1
127 1 . . . . . 1.9 1.7 2.1 parsed_2k9j 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 "hetero b3TM HN-HN NOEs (2H/13C/15N b3TM, unlabeled aIIbTM)" 1 1 1 61 parsed_2k9j 1
2 "I 1 3.2" 3 78 3 87 parsed_2k9j 1
3 "I 1 4.1" 4 78 4 87 parsed_2k9j 1
4 "L 1 4.1" 5 78 5 87 parsed_2k9j 1
5 "L 1 3.2" 6 78 6 87 parsed_2k9j 1
6 "L 1 3.3" 7 78 7 87 parsed_2k9j 1
7 "V 1 4.1" 8 78 8 87 parsed_2k9j 1
8 "V 1 3.1" 9 78 9 87 parsed_2k9j 1
9 "L 1 3.0" 10 78 10 87 parsed_2k9j 1
10 "L 1 4.2" 11 78 11 87 parsed_2k9j 1
11 "L 1 3.5" 12 78 12 87 parsed_2k9j 1
12 "S 1 4.1" 13 78 13 87 parsed_2k9j 1
13 "S 1 4.0" 14 78 14 87 parsed_2k9j 1
14 "S 1 3.6" 15 78 15 87 parsed_2k9j 1
15 "S 1 4.4" 16 78 16 87 parsed_2k9j 1
16 "V 1 3.9" 17 78 17 87 parsed_2k9j 1
17 "V 1 3.9" 18 78 18 87 parsed_2k9j 1
18 "V 1 3.8" 19 78 19 87 parsed_2k9j 1
19 "M 1 3.1" 20 78 20 87 parsed_2k9j 1
20 "M 1 3.2" 21 78 21 87 parsed_2k9j 1
21 "M 1 4.4" 22 78 22 87 parsed_2k9j 1
22 "G 1 4.1" 23 78 23 87 parsed_2k9j 1
23 "G 1 2.8" 24 78 24 87 parsed_2k9j 1
24 "A 1 3.2" 25 78 25 87 parsed_2k9j 1
25 "I 1 3.1" 26 78 26 87 parsed_2k9j 1
26 "L 1 3.3" 27 78 27 87 parsed_2k9j 1
27 "L 1 3.1" 28 78 28 87 parsed_2k9j 1
28 "L 1 3.1" 29 78 29 87 parsed_2k9j 1
29 "L 1 4.0" 30 78 30 87 parsed_2k9j 1
30 "L 1 3.6" 31 78 31 87 parsed_2k9j 1
31 "L 1 3.8" 32 78 32 87 parsed_2k9j 1
32 "L 1 3.1" 33 78 33 87 parsed_2k9j 1
33 "I 1 3.0" 34 78 34 87 parsed_2k9j 1
34 "G 1 3.2" 35 78 35 87 parsed_2k9j 1
35 "G 1 3.0" 36 78 36 87 parsed_2k9j 1
36 "A 1 3.0" 37 78 37 87 parsed_2k9j 1
37 "A 1 3.0" 38 78 38 87 parsed_2k9j 1
38 "A 1 3.6" 39 78 39 87 parsed_2k9j 1
39 "A 1 3.1" 40 78 40 87 parsed_2k9j 1
40 "L 1 3.7" 41 78 41 87 parsed_2k9j 1
41 "L 1 2.9" 42 78 42 87 parsed_2k9j 1
42 "I 1 2.7" 43 78 43 87 parsed_2k9j 1
43 "I 1 3.6" 44 78 44 87 parsed_2k9j 1
44 "I 1 3.3" 45 78 45 87 parsed_2k9j 1
45 "I 1 3.4" 46 78 46 87 parsed_2k9j 1
46 "W 1 4.3" 47 78 47 87 parsed_2k9j 1
47 "K 1 3.0" 48 78 48 87 parsed_2k9j 1
48 "K 1 3.3" 49 78 49 87 parsed_2k9j 1
49 "L 1 2.8" 50 78 50 87 parsed_2k9j 1
50 "L 1 4.4" 51 78 51 87 parsed_2k9j 1
51 "L 1 3.4" 52 78 52 87 parsed_2k9j 1
52 "L 1 4.1" 53 78 53 87 parsed_2k9j 1
53 "T 1 4.0" 54 78 54 87 parsed_2k9j 1
54 "T 1 4.1" 55 78 55 87 parsed_2k9j 1
55 "T 1 4.5" 56 78 56 87 parsed_2k9j 1
56 "I 1 3.2" 57 78 57 87 parsed_2k9j 1
57 "I 1 3.8" 58 78 58 87 parsed_2k9j 1
58 "H 1 3.3" 59 78 59 87 parsed_2k9j 1
59 "D 1 3.2" 60 78 60 87 parsed_2k9j 1
60 "D 1 3.6" 61 78 61 87 parsed_2k9j 1
61 "D 1 3.3" 62 78 62 87 parsed_2k9j 1
62 "R 1 2.7" 63 78 63 87 parsed_2k9j 1
63
;
E 1 2.5
assign (resid 142 and name HN ) (resid 143 and name HN ) 2.5 0.7 0.4 ! E 1 2.3
intraresidual (i+0): 0
sequential (i+1): 27
short-range (i+2): 22
medium-range (i+3): 14
long-range (> i+3): 0
hetero aIIbTM HN-HN NOEs (2H/13C/15N aIIbTM, unlabeled b3TM), lower s/n
;
64 78 73 74 parsed_2k9j 1
64 "V 1 3.9" 75 78 75 87 parsed_2k9j 1
65 "V 1 3.5" 76 78 76 87 parsed_2k9j 1
66 "V 1 3.4" 77 78 77 87 parsed_2k9j 1
67 "V 1 2.9" 78 78 78 87 parsed_2k9j 1
68 "G 1 3.0" 79 78 79 87 parsed_2k9j 1
69 "G 1 2.7" 80 78 80 87 parsed_2k9j 1
70 "V 1 2.8" 81 78 81 87 parsed_2k9j 1
71 "L 1 3.2" 82 78 82 87 parsed_2k9j 1
72 "L 1 2.9" 83 78 83 87 parsed_2k9j 1
73 "L 1 3.3" 84 78 84 87 parsed_2k9j 1
74 "L 1 3.0" 85 78 85 87 parsed_2k9j 1
75 "L 1 2.4" 86 78 86 87 parsed_2k9j 1
76 "L 1 2.5" 87 78 87 87 parsed_2k9j 1
77 "L 1 2.5" 88 78 88 87 parsed_2k9j 1
78 "T 1 3.1" 89 78 89 87 parsed_2k9j 1
79 "T 1 3.5" 90 78 90 87 parsed_2k9j 1
80 "T 1 3.5" 91 78 91 87 parsed_2k9j 1
81 "L 1 2.8" 92 78 92 87 parsed_2k9j 1
82 "V 1 2.9" 93 78 93 87 parsed_2k9j 1
83 "L 1 4.0" 94 78 94 87 parsed_2k9j 1
84 "L 1 2.8" 95 78 95 87 parsed_2k9j 1
85 "L 1 3.0" 96 78 96 87 parsed_2k9j 1
86 "L 1 3.0" 97 78 97 87 parsed_2k9j 1
87 "M 1 2.7" 98 78 98 87 parsed_2k9j 1
88 "W 1 3.5" 99 78 99 87 parsed_2k9j 1
89 "W 1 4.0" 100 78 100 87 parsed_2k9j 1
90 "V 1 3.2" 101 78 101 87 parsed_2k9j 1
91 "V 1 3.4" 102 78 102 87 parsed_2k9j 1
92 "F 1 2.9" 103 78 103 87 parsed_2k9j 1
93 "F 1 4.3 xxx" 104 78 104 91 parsed_2k9j 1
94 "F 1 3.6" 105 78 105 87 parsed_2k9j 1
95 "R 1 3.4" 106 78 106 87 parsed_2k9j 1
96 "R 1 3.3" 107 78 107 87 parsed_2k9j 1
97
;
N 1 3.6
intraresidual (i+0): 0
sequential (i+1): 24
short-range (i+2): 8
medium-range (i+3): 2
long-range (> i+3): 0
Ser
i-i-3 Oy to O' 2.6 to 3.4 A, Chi1=+60
or i-i-4 Oy to O' 2.6 to 3.4 A, Chi1=-60
incorporate distance to H to get OH geometry right (O-H distance 0.96 A)
;
108 78 119 75 parsed_2k9j 1
98
;
i-i-4 implemented Ser H-bond
Thr
i-i-4 Oy to O' 2.6 to 3.4 A, Chi1=-60 (only possibility)
incorporate distance to H to get OH geometry right (O-H distance 0.96 A)
;
120 79 124 75 parsed_2k9j 1
99 "i-i-4 implemented H-bond" 125 80 125 106 parsed_2k9j 1
100
;
i-i-4 implemented H-bond
His
ND1 to CO(i-4) 2.2 A, Chi1=-60, Chi2=+60
;
126 80 129 43 parsed_2k9j 1
101
;
i-i-4 implemented H-bond, note no HD1 is psf
a2b methyl to b3 all
;
130 80 131 23 parsed_2k9j 1
102 "b3 methyl to a2b all" 144 77 147 23 parsed_2k9j 1
103 "salt bridge in bicelles confirmed by mutagenesis" 169 78 172 51 parsed_2k9j 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2k9j
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -56.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_2k9j 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.0 -13.0 . . 10 . n . 10 . ca . 10 . c . 11 . n parsed_2k9j 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -58.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_2k9j 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -21.0 . . 11 . n . 11 . ca . 11 . c . 12 . n parsed_2k9j 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -55.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2k9j 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.0 -25.0 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_2k9j 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -60.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2k9j 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 -30.0 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_2k9j 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -56.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2k9j 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.0 -24.0 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_2k9j 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.0 -53.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2k9j 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.0 -41.0 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_2k9j 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -60.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2k9j 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.0 -33.0 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_2k9j 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -60.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2k9j 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.0 -35.0 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_2k9j 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -58.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_2k9j 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -15.0 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_2k9j 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -62.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_2k9j 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_2k9j 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -51.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2k9j 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -32.0 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_2k9j 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.0 -57.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2k9j 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.0 -34.0 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2k9j 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.5 -58.9 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2k9j 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -40.2 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2k9j 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.5 -58.5 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_2k9j 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.3 -22.1 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_2k9j 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.3 -62.7 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_2k9j 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.7 -32.1 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_2k9j 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.4 -60.2 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2k9j 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.3 -28.1 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2k9j 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.7 -52.7 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2k9j 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.2 -38.0 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_2k9j 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.8 -60.0 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2k9j 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.8 -30.0 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2k9j 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -59.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2k9j 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.8 -33.4 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_2k9j 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.3 -54.5 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2k9j 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.2 -33.2 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_2k9j 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.1 -59.1 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_2k9j 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.6 -31.4 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_2k9j 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -55.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_2k9j 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.0 -33.0 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_2k9j 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -59.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_2k9j 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -22.0 . . 32 . n . 32 . ca . 32 . c . 33 . n parsed_2k9j 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.0 -53.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_2k9j 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.0 -14.0 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_2k9j 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -92.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_2k9j 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 24.0 . . 34 . n . 34 . ca . 34 . c . 35 . n parsed_2k9j 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.0 95.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2k9j 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 14.0 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_2k9j 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -60.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2k9j 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -7.0 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_2k9j 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.0 -88.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2k9j 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 9.0 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_2k9j 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.0 -90.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_2k9j 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 157.0 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_2k9j 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -92.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_2k9j 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.0 160.0 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_2k9j 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.0 -85.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_2k9j 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.0 146.0 . . 40 . n . 40 . ca . 40 . c . 41 . n parsed_2k9j 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.0 -90.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_2k9j 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.0 160.0 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_2k9j 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . . 11 . N . 11 . CA . 11 . CB . 11 . CG parsed_2k9j 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.000 150.000 . . 11 . CA . 11 . CB . 11 . CG . 11 . CD1 parsed_2k9j 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_2k9j 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.000 150.000 . . 12 . CA . 12 . CB . 12 . CG . 12 . CD1 parsed_2k9j 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 210.000 . . 32 . N . 32 . CA . 32 . CB . 32 . CG parsed_2k9j 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.000 30.000 . . 32 . CA . 32 . CB . 32 . CG . 32 . CD1 parsed_2k9j 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.000 240.000 . . 33 . N . 33 . CA . 33 . CB . 33 . CG parsed_2k9j 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 33 . CA . 33 . CB . 33 . CG . 33 . CD parsed_2k9j 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . . 33 . CB . 33 . CG . 33 . CD . 33 . CE parsed_2k9j 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 210.000 . . 33 . CG . 33 . CD . 33 . CE . 33 . NZ parsed_2k9j 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 210.000 . . 36 . N . 36 . CA . 36 . CB . 36 . CG parsed_2k9j 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.000 30.000 . . 36 . CA . 36 . CB . 36 . CG . 36 . CD1 parsed_2k9j 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 37 . N . 37 . CA . 37 . CB . 37 . CG parsed_2k9j 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.0 -57.0 . . 108 . c . 109 . n . 109 . ca . 109 . c parsed_2k9j 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -18.0 . . 109 . n . 109 . ca . 109 . c . 110 . n parsed_2k9j 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -55.0 . . 109 . c . 110 . n . 110 . ca . 110 . c parsed_2k9j 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.0 -29.0 . . 110 . n . 110 . ca . 110 . c . 111 . n parsed_2k9j 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.1 -57.3 . . 110 . c . 111 . n . 111 . ca . 111 . c parsed_2k9j 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.6 -41.4 . . 111 . n . 111 . ca . 111 . c . 112 . n parsed_2k9j 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.4 -58.0 . . 111 . c . 112 . n . 112 . ca . 112 . c parsed_2k9j 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.3 -41.9 . . 112 . n . 112 . ca . 112 . c . 113 . n parsed_2k9j 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.5 -54.7 . . 112 . c . 113 . n . 113 . ca . 113 . c parsed_2k9j 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.2 -39.4 . . 113 . n . 113 . ca . 113 . c . 114 . n parsed_2k9j 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.8 -59.6 . . 113 . c . 114 . n . 114 . ca . 114 . c parsed_2k9j 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.9 -35.3 . . 114 . n . 114 . ca . 114 . c . 115 . n parsed_2k9j 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.6 -60.8 . . 114 . c . 115 . n . 115 . ca . 115 . c parsed_2k9j 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.2 -39.6 . . 115 . n . 115 . ca . 115 . c . 116 . n parsed_2k9j 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.8 -58.6 . . 115 . c . 116 . n . 116 . ca . 116 . c parsed_2k9j 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.7 -38.3 . . 116 . n . 116 . ca . 116 . c . 117 . n parsed_2k9j 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.7 -54.9 . . 116 . c . 117 . n . 117 . ca . 117 . c parsed_2k9j 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.2 -28.6 . . 117 . n . 117 . ca . 117 . c . 118 . n parsed_2k9j 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.3 -57.9 . . 117 . c . 118 . n . 118 . ca . 118 . c parsed_2k9j 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.3 -26.1 . . 118 . n . 118 . ca . 118 . c . 119 . n parsed_2k9j 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.0 -55.6 . . 118 . c . 119 . n . 119 . ca . 119 . c parsed_2k9j 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.4 -36.2 . . 119 . n . 119 . ca . 119 . c . 120 . n parsed_2k9j 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.9 -57.1 . . 119 . c . 120 . n . 120 . ca . 120 . c parsed_2k9j 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.4 -36.4 . . 120 . n . 120 . ca . 120 . c . 121 . n parsed_2k9j 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.0 -61.0 . . 120 . c . 121 . n . 121 . ca . 121 . c parsed_2k9j 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -20.0 . . 121 . n . 121 . ca . 121 . c . 122 . n parsed_2k9j 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.3 -58.1 . . 121 . c . 122 . n . 122 . ca . 122 . c parsed_2k9j 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.2 -37.0 . . 122 . n . 122 . ca . 122 . c . 123 . n parsed_2k9j 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.6 -59.6 . . 122 . c . 123 . n . 123 . ca . 123 . c parsed_2k9j 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.9 -37.3 . . 123 . n . 123 . ca . 123 . c . 124 . n parsed_2k9j 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.3 -55.5 . . 123 . c . 124 . n . 124 . ca . 124 . c parsed_2k9j 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.4 -26.4 . . 124 . n . 124 . ca . 124 . c . 125 . n parsed_2k9j 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.3 -57.1 . . 124 . c . 125 . n . 125 . ca . 125 . c parsed_2k9j 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.0 -32.0 . . 125 . n . 125 . ca . 125 . c . 126 . n parsed_2k9j 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.5 -59.9 . . 125 . c . 126 . n . 126 . ca . 126 . c parsed_2k9j 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.6 -36.4 . . 126 . n . 126 . ca . 126 . c . 127 . n parsed_2k9j 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.0 -60.4 . . 126 . c . 127 . n . 127 . ca . 127 . c parsed_2k9j 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.2 -35.4 . . 127 . n . 127 . ca . 127 . c . 128 . n parsed_2k9j 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.2 -61.8 . . 127 . c . 128 . n . 128 . ca . 128 . c parsed_2k9j 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.5 -34.1 . . 128 . n . 128 . ca . 128 . c . 129 . n parsed_2k9j 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.4 -57.0 . . 128 . c . 129 . n . 129 . ca . 129 . c parsed_2k9j 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 -39.6 . . 129 . n . 129 . ca . 129 . c . 130 . n parsed_2k9j 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.1 -59.1 . . 129 . c . 130 . n . 130 . ca . 130 . c parsed_2k9j 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.1 -39.9 . . 130 . n . 130 . ca . 130 . c . 131 . n parsed_2k9j 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.1 -55.5 . . 130 . c . 131 . n . 131 . ca . 131 . c parsed_2k9j 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.1 -21.7 . . 131 . n . 131 . ca . 131 . c . 132 . n parsed_2k9j 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.3 -57.3 . . 131 . c . 132 . n . 132 . ca . 132 . c parsed_2k9j 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.9 -32.9 . . 132 . n . 132 . ca . 132 . c . 133 . n parsed_2k9j 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.5 -54.7 . . 132 . c . 133 . n . 133 . ca . 133 . c parsed_2k9j 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.0 -34.0 . . 133 . n . 133 . ca . 133 . c . 134 . n parsed_2k9j 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.8 -56.4 . . 133 . c . 134 . n . 134 . ca . 134 . c parsed_2k9j 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.3 -26.1 . . 134 . n . 134 . ca . 134 . c . 135 . n parsed_2k9j 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.5 -60.5 . . 134 . c . 135 . n . 135 . ca . 135 . c parsed_2k9j 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.6 -37.4 . . 135 . n . 135 . ca . 135 . c . 136 . n parsed_2k9j 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -58.0 . . 135 . c . 136 . n . 136 . ca . 136 . c parsed_2k9j 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.0 -34.0 . . 136 . n . 136 . ca . 136 . c . 137 . n parsed_2k9j 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -58.0 . . 136 . c . 137 . n . 137 . ca . 137 . c parsed_2k9j 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.0 -38.0 . . 137 . n . 137 . ca . 137 . c . 138 . n parsed_2k9j 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -59.0 . . 137 . c . 138 . n . 138 . ca . 138 . c parsed_2k9j 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -28.0 . . 138 . n . 138 . ca . 138 . c . 139 . n parsed_2k9j 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.0 -61.0 . . 138 . c . 139 . n . 139 . ca . 139 . c parsed_2k9j 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.0 -10.0 . . 139 . n . 139 . ca . 139 . c . 140 . n parsed_2k9j 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 108 . N . 108 . CA . 108 . CB . 108 . CG parsed_2k9j 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -15.000 15.000 . . 108 . CA . 108 . CB . 108 . CG . 108 . OD1 parsed_2k9j 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 117 . N . 117 . CA . 117 . CB . 117 . CG parsed_2k9j 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 210.000 . . 117 . CA . 117 . CB . 117 . CG . 117 . SD parsed_2k9j 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . . 117 . CB . 117 . CG . 117 . SD . 117 . CE parsed_2k9j 1
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 210.000 . . 131 . N . 131 . CA . 131 . CB . 131 . CG parsed_2k9j 1
146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.000 30.000 . . 131 . CA . 131 . CB . 131 . CG . 131 . CD1 parsed_2k9j 1
147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.000 240.000 . . 132 . N . 132 . CA . 132 . CB . 132 . CG parsed_2k9j 1
148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 132 . CA . 132 . CB . 132 . CG . 132 . CD parsed_2k9j 1
149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . . 132 . CB . 132 . CG . 132 . CD . 132 . CE parsed_2k9j 1
150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 210.000 . . 132 . CG . 132 . CD . 132 . CE . 132 . NZ parsed_2k9j 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 aIIb_dimer_talos_1stdev.tbl 1 1 1 30 parsed_2k9j 1
2
;
Chi1 empirical
W11 snorkel
;
164 1 166 13 parsed_2k9j 1
3
;
points NH toward extra, snorkeling
W12 snorkel
;
176 62 178 13 parsed_2k9j 1
4
;
points NH toward extra, snorkeling
M31
assign (resid 31 and name N)
(resid 31 and name CA)
(resid 31 and name CB)
(resid 31 and name CG) 1.00 -60.000 30.000 2
assign (resid 31 and name CA)
(resid 31 and name CB)
(resid 31 and name CG)
(resid 31 and name SD) 1.00 180.000 30.000 2 ! this is the canonical RAMA value
assign (resid 31 and name CB)
(resid 31 and name CG)
(resid 31 and name SD)
(resid 31 and name CE) 1.00 +60.000 30.000 2 ! this is the canonical RAMA value
W32 snorkel
;
187 62 206 13 parsed_2k9j 1
5
;
points NH toward cytosol, snorkeling
Lys 33, snorkel
;
215 62 217 17 parsed_2k9j 1
6 "Chi2 is adjusted to snorkel" 226 62 226 91 parsed_2k9j 1
7 "Chi3 is adjusted to snorkel" 231 61 231 90 parsed_2k9j 1
8
;
this is the canonical RAMA value
F36 immerse
;
236 62 238 13 parsed_2k9j 1
9 F37 249 1 249 5 parsed_2k9j 1
10
;
R39-D139 H-bond
assign (resid 39 and name CZ)
(resid 39 and name NH1)
(resid 139 and name OD1)
(resid 139 and name CG) 1.00 0.000 30.000 2
assign (resid 39 and name CZ)
(resid 39 and name NH2)
(resid 139 and name OD2)
(resid 139 and name CG) 1.00 0.000 30.000 2
b3TM_dimer_talos_1sdtev.tbl
;
255 1 267 30 parsed_2k9j 1
11
;
empirical Chi
Asp, N-terminal, from Biophys J, 87, 3460-3469
;
425 1 427 48 parsed_2k9j 1
12 "this is the canonical RAMA value" 431 61 431 95 parsed_2k9j 1
13
;
this is the canonical RAMA value
Met, from Biophys J, 87, 3460-3469
-60,180,+60 is one good possibility out of three
;
436 61 440 51 parsed_2k9j 1
14 "this is the canonical RAMA value" 444 61 444 95 parsed_2k9j 1
15 "this is the canonical RAMA value" 449 61 449 95 parsed_2k9j 1
16
;
this is the canonical RAMA value
Trp, C-terminal, snorkeling, from Biophys J, 87, 3460-3469
;
454 61 457 60 parsed_2k9j 1
17 "points NH toward cytosol, snorkeling" 466 60 466 98 parsed_2k9j 1
18 "this is the canonical RAMA value" 473 62 473 96 parsed_2k9j 1
19 "Chi2 is adjusted to snorkel" 478 62 478 91 parsed_2k9j 1
20 "Chi3 is adjusted to snorkel" 483 61 483 90 parsed_2k9j 1
21 "this is the canonical RAMA value" 488 62 488 96 parsed_2k9j 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "Lys, N-terminal, snorkeling, no reference" 469 1 469 41 parsed_2k9j 1
stop_
save_
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