Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
532798 | 2k7o RC | 15923 | cing | 2-parsed | STAR | entry | full | 224 |
data_2k7o_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k7o
_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_2k7o 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k7o
_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 2k7o "Master copy" parsed_2k7o
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k7o
_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 2k7o.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k7o 1
1 2k7o.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 134 parsed_2k7o 1
1 2k7o.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 90 parsed_2k7o 1
1 2k7o.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k7o 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_2k7o
_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 METAL BINDING PROTEIN 17-AUG-08 2K7O
*TITLE CA2+-S100B, REFINED WITH RDCS
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: PROTEIN S100-B;
*COMPND 3 CHAIN: A, B;
*COMPND 4 SYNONYM: S100 CALCIUM-BINDING PROTEIN B, S-100 PROTEIN
*COMPND 5 SUBUNIT BETA, S-100 PROTEIN BETA CHAIN;
*COMPND 6 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;
*SOURCE 3 ORGANISM_COMMON: RAT;
*SOURCE 4 GENE: S100B;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE 7 EXPRESSION_SYSTEM_VECTOR: PET 11A
*KEYWDS S100 PROTEIN, CALCIUM BINDING, EF-HAND, CALCIUM, CYTOPLASM,
*KEYWDS 2 METAL-BINDING, NUCLEUS, ZINC, METAL BINDING PROTEIN
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR N.T.WRIGHT, K.G.INMAN, J.A.LEVINE, D.J.WEBER
*REVDAT 1 18-NOV-08 2K7O 0
;
save_
save_CNS/XPLOR_dipolar_coupling_2
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2k7o
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 2
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 13.78 . . . . sam1 2 . n sam1 2 . hn parsed_2k7o 1
2 . . . . . . . . . . . . . . . . 28.39 . . . . sam1 3 . n sam1 3 . hn parsed_2k7o 1
3 . . . . . . . . . . . . . . . . 4.87 . . . . sam1 4 . n sam1 4 . hn parsed_2k7o 1
4 . . . . . . . . . . . . . . . . 4.06 . . . . sam1 5 . n sam1 5 . hn parsed_2k7o 1
5 . . . . . . . . . . . . . . . . 12.98 . . . . sam1 8 . n sam1 8 . hn parsed_2k7o 1
6 . . . . . . . . . . . . . . . . 12.98 . . . . sam1 9 . n sam1 9 . hn parsed_2k7o 1
7 . . . . . . . . . . . . . . . . 22.71 . . . . sam1 10 . n sam1 10 . hn parsed_2k7o 1
8 . . . . . . . . . . . . . . . . 22.71 . . . . sam1 11 . n sam1 11 . hn parsed_2k7o 1
9 . . . . . . . . . . . . . . . . 16.22 . . . . sam1 12 . n sam1 12 . hn parsed_2k7o 1
10 . . . . . . . . . . . . . . . . 20.27 . . . . sam1 13 . n sam1 13 . hn parsed_2k7o 1
11 . . . . . . . . . . . . . . . . 25.14 . . . . sam1 15 . n sam1 15 . hn parsed_2k7o 1
12 . . . . . . . . . . . . . . . . 11.35 . . . . sam1 16 . n sam1 16 . hn parsed_2k7o 1
13 . . . . . . . . . . . . . . . . 24.33 . . . . sam1 17 . n sam1 17 . hn parsed_2k7o 1
14 . . . . . . . . . . . . . . . . 24.33 . . . . sam1 18 . n sam1 18 . hn parsed_2k7o 1
15 . . . . . . . . . . . . . . . . -8.92 . . . . sam1 19 . n sam1 19 . hn parsed_2k7o 1
16 . . . . . . . . . . . . . . . . -5.68 . . . . sam1 20 . n sam1 20 . hn parsed_2k7o 1
17 . . . . . . . . . . . . . . . . 8.92 . . . . sam1 21 . n sam1 21 . hn parsed_2k7o 1
18 . . . . . . . . . . . . . . . . -14.60 . . . . sam1 25 . n sam1 25 . hn parsed_2k7o 1
19 . . . . . . . . . . . . . . . . 3.41 . . . . sam1 27 . n sam1 27 . hn parsed_2k7o 1
20 . . . . . . . . . . . . . . . . -25.95 . . . . sam1 28 . n sam1 28 . hn parsed_2k7o 1
21 . . . . . . . . . . . . . . . . -21.09 . . . . sam1 29 . n sam1 29 . hn parsed_2k7o 1
22 . . . . . . . . . . . . . . . . -11.35 . . . . sam1 30 . n sam1 30 . hn parsed_2k7o 1
23 . . . . . . . . . . . . . . . . -22.71 . . . . sam1 31 . n sam1 31 . hn parsed_2k7o 1
24 . . . . . . . . . . . . . . . . -18.65 . . . . sam1 32 . n sam1 32 . hn parsed_2k7o 1
25 . . . . . . . . . . . . . . . . -8.92 . . . . sam1 33 . n sam1 33 . hn parsed_2k7o 1
26 . . . . . . . . . . . . . . . . -12.17 . . . . sam1 34 . n sam1 34 . hn parsed_2k7o 1
27 . . . . . . . . . . . . . . . . -21.90 . . . . sam1 35 . n sam1 35 . hn parsed_2k7o 1
28 . . . . . . . . . . . . . . . . -17.03 . . . . sam1 38 . n sam1 38 . hn parsed_2k7o 1
29 . . . . . . . . . . . . . . . . -20.28 . . . . sam1 39 . n sam1 39 . hn parsed_2k7o 1
30 . . . . . . . . . . . . . . . . -20.27 . . . . sam1 44 . n sam1 44 . hn parsed_2k7o 1
31 . . . . . . . . . . . . . . . . -18.65 . . . . sam1 45 . n sam1 45 . hn parsed_2k7o 1
32 . . . . . . . . . . . . . . . . -8.92 . . . . sam1 46 . n sam1 46 . hn parsed_2k7o 1
33 . . . . . . . . . . . . . . . . -12.98 . . . . sam1 48 . n sam1 48 . hn parsed_2k7o 1
34 . . . . . . . . . . . . . . . . 13.79 . . . . sam1 49 . n sam1 49 . hn parsed_2k7o 1
35 . . . . . . . . . . . . . . . . 26.76 . . . . sam1 51 . n sam1 51 . hn parsed_2k7o 1
36 . . . . . . . . . . . . . . . . 2.43 . . . . sam1 52 . n sam1 52 . hn parsed_2k7o 1
37 . . . . . . . . . . . . . . . . 25.14 . . . . sam1 53 . n sam1 53 . hn parsed_2k7o 1
38 . . . . . . . . . . . . . . . . 8.92 . . . . sam1 55 . n sam1 55 . hn parsed_2k7o 1
39 . . . . . . . . . . . . . . . . 12.98 . . . . sam1 56 . n sam1 56 . hn parsed_2k7o 1
40 . . . . . . . . . . . . . . . . 28.38 . . . . sam1 57 . n sam1 57 . hn parsed_2k7o 1
41 . . . . . . . . . . . . . . . . 25.96 . . . . sam1 60 . n sam1 60 . hn parsed_2k7o 1
42 . . . . . . . . . . . . . . . . -21.09 . . . . sam1 62 . n sam1 62 . hn parsed_2k7o 1
43 . . . . . . . . . . . . . . . . -17.03 . . . . sam1 64 . n sam1 64 . hn parsed_2k7o 1
44 . . . . . . . . . . . . . . . . 9.73 . . . . sam1 65 . n sam1 65 . hn parsed_2k7o 1
45 . . . . . . . . . . . . . . . . 4.05 . . . . sam1 66 . n sam1 66 . hn parsed_2k7o 1
46 . . . . . . . . . . . . . . . . 3.24 . . . . sam1 67 . n sam1 67 . hn parsed_2k7o 1
47 . . . . . . . . . . . . . . . . -5.68 . . . . sam1 68 . n sam1 68 . hn parsed_2k7o 1
48 . . . . . . . . . . . . . . . . -26.36 . . . . sam1 69 . n sam1 69 . hn parsed_2k7o 1
49 . . . . . . . . . . . . . . . . -3.24 . . . . sam1 70 . n sam1 70 . hn parsed_2k7o 1
50 . . . . . . . . . . . . . . . . -6.49 . . . . sam1 71 . n sam1 71 . hn parsed_2k7o 1
51 . . . . . . . . . . . . . . . . -4.87 . . . . sam1 72 . n sam1 72 . hn parsed_2k7o 1
52 . . . . . . . . . . . . . . . . -4.05 . . . . sam1 73 . n sam1 73 . hn parsed_2k7o 1
53 . . . . . . . . . . . . . . . . -6.16 . . . . sam1 74 . n sam1 74 . hn parsed_2k7o 1
54 . . . . . . . . . . . . . . . . -4.14 . . . . sam1 75 . n sam1 75 . hn parsed_2k7o 1
55 . . . . . . . . . . . . . . . . -4.05 . . . . sam1 76 . n sam1 76 . hn parsed_2k7o 1
56 . . . . . . . . . . . . . . . . -3.24 . . . . sam1 77 . n sam1 77 . hn parsed_2k7o 1
57 . . . . . . . . . . . . . . . . -10.54 . . . . sam1 78 . n sam1 78 . hn parsed_2k7o 1
58 . . . . . . . . . . . . . . . . -3.24 . . . . sam1 79 . n sam1 79 . hn parsed_2k7o 1
59 . . . . . . . . . . . . . . . . -8.92 . . . . sam1 81 . n sam1 81 . hn parsed_2k7o 1
60 . . . . . . . . . . . . . . . . -7.30 . . . . sam1 82 . n sam1 82 . hn parsed_2k7o 1
61 . . . . . . . . . . . . . . . . -4.87 . . . . sam1 83 . n sam1 83 . hn parsed_2k7o 1
62 . . . . . . . . . . . . . . . . 2.43 . . . . sam1 84 . n sam1 84 . hn parsed_2k7o 1
63 . . . . . . . . . . . . . . . . -2.43 . . . . sam1 87 . n sam1 87 . hn parsed_2k7o 1
64 . . . . . . . . . . . . . . . . -1.62 . . . . sam1 88 . n sam1 88 . hn parsed_2k7o 1
65 . . . . . . . . . . . . . . . . -0.81 . . . . sam1 90 . n sam1 90 . hn parsed_2k7o 1
66 . . . . . . . . . . . . . . . . 0.81 . . . . sam1 91 . n sam1 91 . hn parsed_2k7o 1
67 . . . . . . . . . . . . . . . . 13.78 . . . . sam2 2 . n sam2 2 . hn parsed_2k7o 1
68 . . . . . . . . . . . . . . . . 28.39 . . . . sam2 3 . n sam2 3 . hn parsed_2k7o 1
69 . . . . . . . . . . . . . . . . 4.87 . . . . sam2 4 . n sam2 4 . hn parsed_2k7o 1
70 . . . . . . . . . . . . . . . . 4.06 . . . . sam2 5 . n sam2 5 . hn parsed_2k7o 1
71 . . . . . . . . . . . . . . . . 24.33 . . . . sam2 6 . n sam2 6 . hn parsed_2k7o 1
72 . . . . . . . . . . . . . . . . 12.98 . . . . sam2 8 . n sam2 8 . hn parsed_2k7o 1
73 . . . . . . . . . . . . . . . . 12.98 . . . . sam2 9 . n sam2 9 . hn parsed_2k7o 1
74 . . . . . . . . . . . . . . . . 22.71 . . . . sam2 10 . n sam2 10 . hn parsed_2k7o 1
75 . . . . . . . . . . . . . . . . 22.71 . . . . sam2 11 . n sam2 11 . hn parsed_2k7o 1
76 . . . . . . . . . . . . . . . . 16.22 . . . . sam2 12 . n sam2 12 . hn parsed_2k7o 1
77 . . . . . . . . . . . . . . . . 20.27 . . . . sam2 13 . n sam2 13 . hn parsed_2k7o 1
78 . . . . . . . . . . . . . . . . 25.14 . . . . sam2 15 . n sam2 15 . hn parsed_2k7o 1
79 . . . . . . . . . . . . . . . . 11.35 . . . . sam2 16 . n sam2 16 . hn parsed_2k7o 1
80 . . . . . . . . . . . . . . . . 24.33 . . . . sam2 17 . n sam2 17 . hn parsed_2k7o 1
81 . . . . . . . . . . . . . . . . 24.33 . . . . sam2 18 . n sam2 18 . hn parsed_2k7o 1
82 . . . . . . . . . . . . . . . . -8.92 . . . . sam2 19 . n sam2 19 . hn parsed_2k7o 1
83 . . . . . . . . . . . . . . . . -5.68 . . . . sam2 20 . n sam2 20 . hn parsed_2k7o 1
84 . . . . . . . . . . . . . . . . 8.92 . . . . sam2 21 . n sam2 21 . hn parsed_2k7o 1
85 . . . . . . . . . . . . . . . . -14.60 . . . . sam2 25 . n sam2 25 . hn parsed_2k7o 1
86 . . . . . . . . . . . . . . . . 3.41 . . . . sam2 27 . n sam2 27 . hn parsed_2k7o 1
87 . . . . . . . . . . . . . . . . -25.95 . . . . sam2 28 . n sam2 28 . hn parsed_2k7o 1
88 . . . . . . . . . . . . . . . . -21.09 . . . . sam2 29 . n sam2 29 . hn parsed_2k7o 1
89 . . . . . . . . . . . . . . . . -11.35 . . . . sam2 30 . n sam2 30 . hn parsed_2k7o 1
90 . . . . . . . . . . . . . . . . -22.71 . . . . sam2 31 . n sam2 31 . hn parsed_2k7o 1
91 . . . . . . . . . . . . . . . . -18.65 . . . . sam2 32 . n sam2 32 . hn parsed_2k7o 1
92 . . . . . . . . . . . . . . . . -8.92 . . . . sam2 33 . n sam2 33 . hn parsed_2k7o 1
93 . . . . . . . . . . . . . . . . -12.17 . . . . sam2 34 . n sam2 34 . hn parsed_2k7o 1
94 . . . . . . . . . . . . . . . . -21.90 . . . . sam2 35 . n sam2 35 . hn parsed_2k7o 1
95 . . . . . . . . . . . . . . . . -17.03 . . . . sam2 38 . n sam2 38 . hn parsed_2k7o 1
96 . . . . . . . . . . . . . . . . -20.28 . . . . sam2 39 . n sam2 39 . hn parsed_2k7o 1
97 . . . . . . . . . . . . . . . . -20.27 . . . . sam2 44 . n sam2 44 . hn parsed_2k7o 1
98 . . . . . . . . . . . . . . . . -18.65 . . . . sam2 45 . n sam2 45 . hn parsed_2k7o 1
99 . . . . . . . . . . . . . . . . -8.92 . . . . sam2 46 . n sam2 46 . hn parsed_2k7o 1
100 . . . . . . . . . . . . . . . . -12.98 . . . . sam2 48 . n sam2 48 . hn parsed_2k7o 1
101 . . . . . . . . . . . . . . . . 13.79 . . . . sam2 49 . n sam2 49 . hn parsed_2k7o 1
102 . . . . . . . . . . . . . . . . 26.76 . . . . sam2 51 . n sam2 51 . hn parsed_2k7o 1
103 . . . . . . . . . . . . . . . . 2.43 . . . . sam2 52 . n sam2 52 . hn parsed_2k7o 1
104 . . . . . . . . . . . . . . . . 25.14 . . . . sam2 53 . n sam2 53 . hn parsed_2k7o 1
105 . . . . . . . . . . . . . . . . 8.92 . . . . sam2 55 . n sam2 55 . hn parsed_2k7o 1
106 . . . . . . . . . . . . . . . . 12.98 . . . . sam2 56 . n sam2 56 . hn parsed_2k7o 1
107 . . . . . . . . . . . . . . . . 28.38 . . . . sam2 57 . n sam2 57 . hn parsed_2k7o 1
108 . . . . . . . . . . . . . . . . 25.96 . . . . sam2 60 . n sam2 60 . hn parsed_2k7o 1
109 . . . . . . . . . . . . . . . . 30.82 . . . . sam2 61 . n sam2 61 . hn parsed_2k7o 1
110 . . . . . . . . . . . . . . . . -21.09 . . . . sam2 62 . n sam2 62 . hn parsed_2k7o 1
111 . . . . . . . . . . . . . . . . -17.03 . . . . sam2 64 . n sam2 64 . hn parsed_2k7o 1
112 . . . . . . . . . . . . . . . . 9.73 . . . . sam2 65 . n sam2 65 . hn parsed_2k7o 1
113 . . . . . . . . . . . . . . . . 4.05 . . . . sam2 66 . n sam2 66 . hn parsed_2k7o 1
114 . . . . . . . . . . . . . . . . 3.24 . . . . sam2 67 . n sam2 67 . hn parsed_2k7o 1
115 . . . . . . . . . . . . . . . . -5.68 . . . . sam2 68 . n sam2 68 . hn parsed_2k7o 1
116 . . . . . . . . . . . . . . . . -26.36 . . . . sam2 69 . n sam2 69 . hn parsed_2k7o 1
117 . . . . . . . . . . . . . . . . -3.24 . . . . sam2 70 . n sam2 70 . hn parsed_2k7o 1
118 . . . . . . . . . . . . . . . . -6.49 . . . . sam2 71 . n sam2 71 . hn parsed_2k7o 1
119 . . . . . . . . . . . . . . . . -4.87 . . . . sam2 72 . n sam2 72 . hn parsed_2k7o 1
120 . . . . . . . . . . . . . . . . -4.05 . . . . sam2 73 . n sam2 73 . hn parsed_2k7o 1
121 . . . . . . . . . . . . . . . . -6.16 . . . . sam2 74 . n sam2 74 . hn parsed_2k7o 1
122 . . . . . . . . . . . . . . . . -4.14 . . . . sam2 75 . n sam2 75 . hn parsed_2k7o 1
123 . . . . . . . . . . . . . . . . -4.05 . . . . sam2 76 . n sam2 76 . hn parsed_2k7o 1
124 . . . . . . . . . . . . . . . . -3.24 . . . . sam2 77 . n sam2 77 . hn parsed_2k7o 1
125 . . . . . . . . . . . . . . . . -10.54 . . . . sam2 78 . n sam2 78 . hn parsed_2k7o 1
126 . . . . . . . . . . . . . . . . -3.24 . . . . sam2 79 . n sam2 79 . hn parsed_2k7o 1
127 . . . . . . . . . . . . . . . . -8.92 . . . . sam2 81 . n sam2 81 . hn parsed_2k7o 1
128 . . . . . . . . . . . . . . . . -7.30 . . . . sam2 82 . n sam2 82 . hn parsed_2k7o 1
129 . . . . . . . . . . . . . . . . -4.87 . . . . sam2 83 . n sam2 83 . hn parsed_2k7o 1
130 . . . . . . . . . . . . . . . . 2.43 . . . . sam2 84 . n sam2 84 . hn parsed_2k7o 1
131 . . . . . . . . . . . . . . . . -2.43 . . . . sam2 87 . n sam2 87 . hn parsed_2k7o 1
132 . . . . . . . . . . . . . . . . -1.62 . . . . sam2 88 . n sam2 88 . hn parsed_2k7o 1
133 . . . . . . . . . . . . . . . . -0.81 . . . . sam2 90 . n sam2 90 . hn parsed_2k7o 1
134 . . . . . . . . . . . . . . . . 0.81 . . . . sam2 91 . n sam2 91 . hn parsed_2k7o 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1
;
stretched gels 4.8% as of 7/31/06
hn and segid="sam1" and "sam2" dipolar data
;
1 1 2 45 parsed_2k7o 1
2
;
assign ( resid 610 and name OO)
( resid 610 and name Z)
( resid 610 and name Y)
( resid 610 and name X)
( resid 6 and name n and segid="sam1")
( resid 6 and name hn and segid="sam1") 24.33 0.4000
;
32 1 37 58 parsed_2k7o 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2k7o
_RDC_constraint_list.ID 2
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 13.6 . . . . sam1 1 . ca sam1 1 . ha parsed_2k7o 2
2 . . . . . . . . . . . . . . . . 13.6 . . . . sam1 2 . ca sam1 2 . ha parsed_2k7o 2
3 . . . . . . . . . . . . . . . . 30.2 . . . . sam1 4 . ca sam1 4 . ha parsed_2k7o 2
4 . . . . . . . . . . . . . . . . 1.5 . . . . sam1 5 . ca sam1 5 . ha parsed_2k7o 2
5 . . . . . . . . . . . . . . . . 13.6 . . . . sam1 8 . ca sam1 8 . ha parsed_2k7o 2
6 . . . . . . . . . . . . . . . . 9.1 . . . . sam1 12 . ca sam1 12 . ha parsed_2k7o 2
7 . . . . . . . . . . . . . . . . 34.7 . . . . sam1 15 . ca sam1 15 . ha parsed_2k7o 2
8 . . . . . . . . . . . . . . . . 7.6 . . . . sam1 16 . ca sam1 16 . ha parsed_2k7o 2
9 . . . . . . . . . . . . . . . . 4.5 . . . . sam1 17 . ca sam1 17 . ha parsed_2k7o 2
10 . . . . . . . . . . . . . . . . 34.7 . . . . sam1 20 . ca sam1 20 . ha parsed_2k7o 2
11 . . . . . . . . . . . . . . . . -18.1 . . . . sam1 24 . ca sam1 24 . ha parsed_2k7o 2
12 . . . . . . . . . . . . . . . . 9.1 . . . . sam1 25 . ca sam1 25 . ha parsed_2k7o 2
13 . . . . . . . . . . . . . . . . 37.7 . . . . sam1 28 . ca sam1 28 . ha parsed_2k7o 2
14 . . . . . . . . . . . . . . . . -24.1 . . . . sam1 29 . ca sam1 29 . ha parsed_2k7o 2
15 . . . . . . . . . . . . . . . . -18.1 . . . . sam1 30 . ca sam1 30 . ha parsed_2k7o 2
16 . . . . . . . . . . . . . . . . 36.2 . . . . sam1 31 . ca sam1 31 . ha parsed_2k7o 2
17 . . . . . . . . . . . . . . . . -39.2 . . . . sam1 32 . ca sam1 32 . ha parsed_2k7o 2
18 . . . . . . . . . . . . . . . . -18.1 . . . . sam1 34 . ca sam1 34 . ha parsed_2k7o 2
19 . . . . . . . . . . . . . . . . -1.5 . . . . sam1 37 . ca sam1 37 . ha parsed_2k7o 2
20 . . . . . . . . . . . . . . . . -15.1 . . . . sam1 38 . ca sam1 38 . ha parsed_2k7o 2
21 . . . . . . . . . . . . . . . . -21.1 . . . . sam1 43 . ca sam1 43 . ha parsed_2k7o 2
22 . . . . . . . . . . . . . . . . 16.6 . . . . sam1 44 . ca sam1 44 . ha parsed_2k7o 2
23 . . . . . . . . . . . . . . . . 31.7 . . . . sam1 45 . ca sam1 45 . ha parsed_2k7o 2
24 . . . . . . . . . . . . . . . . -18.1 . . . . sam1 50 . ca sam1 50 . ha parsed_2k7o 2
25 . . . . . . . . . . . . . . . . 12.1 . . . . sam1 51 . ca sam1 51 . ha parsed_2k7o 2
26 . . . . . . . . . . . . . . . . -21.1 . . . . sam1 53 . ca sam1 53 . ha parsed_2k7o 2
27 . . . . . . . . . . . . . . . . -21.1 . . . . sam1 54 . ca sam1 54 . ha parsed_2k7o 2
28 . . . . . . . . . . . . . . . . 34.7 . . . . sam1 55 . ca sam1 55 . ha parsed_2k7o 2
29 . . . . . . . . . . . . . . . . -21.1 . . . . sam1 57 . ca sam1 57 . ha parsed_2k7o 2
30 . . . . . . . . . . . . . . . . -12.1 . . . . sam1 60 . ca sam1 60 . ha parsed_2k7o 2
31 . . . . . . . . . . . . . . . . 16.6 . . . . sam1 61 . ca sam1 61 . ha parsed_2k7o 2
32 . . . . . . . . . . . . . . . . 4.5 . . . . sam1 62 . ca sam1 62 . ha parsed_2k7o 2
33 . . . . . . . . . . . . . . . . 31.7 . . . . sam1 65 . ca sam1 65 . ha parsed_2k7o 2
34 . . . . . . . . . . . . . . . . -10.6 . . . . sam1 67 . ca sam1 67 . ha parsed_2k7o 2
35 . . . . . . . . . . . . . . . . 21.1 . . . . sam1 68 . ca sam1 68 . ha parsed_2k7o 2
36 . . . . . . . . . . . . . . . . 13.6 . . . . sam1 69 . ca sam1 69 . ha parsed_2k7o 2
37 . . . . . . . . . . . . . . . . -7.5 . . . . sam1 70 . ca sam1 70 . ha parsed_2k7o 2
38 . . . . . . . . . . . . . . . . -10.6 . . . . sam1 71 . ca sam1 71 . ha parsed_2k7o 2
39 . . . . . . . . . . . . . . . . 9.1 . . . . sam1 72 . ca sam1 72 . ha parsed_2k7o 2
40 . . . . . . . . . . . . . . . . -19.1 . . . . sam1 75 . ca sam1 75 . ha parsed_2k7o 2
41 . . . . . . . . . . . . . . . . 13.6 . . . . sam1 79 . ca sam1 79 . ha parsed_2k7o 2
42 . . . . . . . . . . . . . . . . 0 . . . . sam1 84 . ca sam1 84 . ha parsed_2k7o 2
43 . . . . . . . . . . . . . . . . -4.5 . . . . sam1 87 . ca sam1 87 . ha parsed_2k7o 2
44 . . . . . . . . . . . . . . . . 9.1 . . . . sam1 88 . ca sam1 88 . ha parsed_2k7o 2
45 . . . . . . . . . . . . . . . . -3.0 . . . . sam1 90 . ca sam1 90 . ha parsed_2k7o 2
46 . . . . . . . . . . . . . . . . 13.6 . . . . sam2 1 . ca sam2 1 . ha parsed_2k7o 2
47 . . . . . . . . . . . . . . . . 13.6 . . . . sam2 2 . ca sam2 2 . ha parsed_2k7o 2
48 . . . . . . . . . . . . . . . . 30.2 . . . . sam2 4 . ca sam2 4 . ha parsed_2k7o 2
49 . . . . . . . . . . . . . . . . 1.5 . . . . sam2 5 . ca sam2 5 . ha parsed_2k7o 2
50 . . . . . . . . . . . . . . . . 13.6 . . . . sam2 8 . ca sam2 8 . ha parsed_2k7o 2
51 . . . . . . . . . . . . . . . . 9.1 . . . . sam2 12 . ca sam2 12 . ha parsed_2k7o 2
52 . . . . . . . . . . . . . . . . 34.7 . . . . sam2 15 . ca sam2 15 . ha parsed_2k7o 2
53 . . . . . . . . . . . . . . . . 7.6 . . . . sam2 16 . ca sam2 16 . ha parsed_2k7o 2
54 . . . . . . . . . . . . . . . . 4.5 . . . . sam2 17 . ca sam2 17 . ha parsed_2k7o 2
55 . . . . . . . . . . . . . . . . 34.7 . . . . sam2 20 . ca sam2 20 . ha parsed_2k7o 2
56 . . . . . . . . . . . . . . . . -18.1 . . . . sam2 24 . ca sam2 24 . ha parsed_2k7o 2
57 . . . . . . . . . . . . . . . . 9.1 . . . . sam2 25 . ca sam2 25 . ha parsed_2k7o 2
58 . . . . . . . . . . . . . . . . 37.7 . . . . sam2 28 . ca sam2 28 . ha parsed_2k7o 2
59 . . . . . . . . . . . . . . . . -24.1 . . . . sam2 29 . ca sam2 29 . ha parsed_2k7o 2
60 . . . . . . . . . . . . . . . . -18.1 . . . . sam2 30 . ca sam2 30 . ha parsed_2k7o 2
61 . . . . . . . . . . . . . . . . 36.2 . . . . sam2 31 . ca sam2 31 . ha parsed_2k7o 2
62 . . . . . . . . . . . . . . . . -39.2 . . . . sam2 32 . ca sam2 32 . ha parsed_2k7o 2
63 . . . . . . . . . . . . . . . . -18.1 . . . . sam2 34 . ca sam2 34 . ha parsed_2k7o 2
64 . . . . . . . . . . . . . . . . -1.5 . . . . sam2 37 . ca sam2 37 . ha parsed_2k7o 2
65 . . . . . . . . . . . . . . . . -15.1 . . . . sam2 38 . ca sam2 38 . ha parsed_2k7o 2
66 . . . . . . . . . . . . . . . . -21.1 . . . . sam2 43 . ca sam2 43 . ha parsed_2k7o 2
67 . . . . . . . . . . . . . . . . 16.6 . . . . sam2 44 . ca sam2 44 . ha parsed_2k7o 2
68 . . . . . . . . . . . . . . . . 31.7 . . . . sam2 45 . ca sam2 45 . ha parsed_2k7o 2
69 . . . . . . . . . . . . . . . . -18.1 . . . . sam2 50 . ca sam2 50 . ha parsed_2k7o 2
70 . . . . . . . . . . . . . . . . 12.1 . . . . sam2 51 . ca sam2 51 . ha parsed_2k7o 2
71 . . . . . . . . . . . . . . . . -21.1 . . . . sam2 53 . ca sam2 53 . ha parsed_2k7o 2
72 . . . . . . . . . . . . . . . . -21.1 . . . . sam2 54 . ca sam2 54 . ha parsed_2k7o 2
73 . . . . . . . . . . . . . . . . 34.7 . . . . sam2 55 . ca sam2 55 . ha parsed_2k7o 2
74 . . . . . . . . . . . . . . . . -21.1 . . . . sam2 57 . ca sam2 57 . ha parsed_2k7o 2
75 . . . . . . . . . . . . . . . . -12.1 . . . . sam2 60 . ca sam2 60 . ha parsed_2k7o 2
76 . . . . . . . . . . . . . . . . 16.6 . . . . sam2 61 . ca sam2 61 . ha parsed_2k7o 2
77 . . . . . . . . . . . . . . . . 4.5 . . . . sam2 62 . ca sam2 62 . ha parsed_2k7o 2
78 . . . . . . . . . . . . . . . . 31.7 . . . . sam2 65 . ca sam2 65 . ha parsed_2k7o 2
79 . . . . . . . . . . . . . . . . -10.6 . . . . sam2 67 . ca sam2 67 . ha parsed_2k7o 2
80 . . . . . . . . . . . . . . . . 21.1 . . . . sam2 68 . ca sam2 68 . ha parsed_2k7o 2
81 . . . . . . . . . . . . . . . . 13.6 . . . . sam2 69 . ca sam2 69 . ha parsed_2k7o 2
82 . . . . . . . . . . . . . . . . -7.5 . . . . sam2 70 . ca sam2 70 . ha parsed_2k7o 2
83 . . . . . . . . . . . . . . . . -10.6 . . . . sam2 71 . ca sam2 71 . ha parsed_2k7o 2
84 . . . . . . . . . . . . . . . . 9.1 . . . . sam2 72 . ca sam2 72 . ha parsed_2k7o 2
85 . . . . . . . . . . . . . . . . -19.1 . . . . sam2 75 . ca sam2 75 . ha parsed_2k7o 2
86 . . . . . . . . . . . . . . . . 13.6 . . . . sam2 79 . ca sam2 79 . ha parsed_2k7o 2
87 . . . . . . . . . . . . . . . . 0 . . . . sam2 84 . ca sam2 84 . ha parsed_2k7o 2
88 . . . . . . . . . . . . . . . . -4.5 . . . . sam2 87 . ca sam2 87 . ha parsed_2k7o 2
89 . . . . . . . . . . . . . . . . 9.1 . . . . sam2 88 . ca sam2 88 . ha parsed_2k7o 2
90 . . . . . . . . . . . . . . . . -3.0 . . . . sam2 90 . ca sam2 90 . ha parsed_2k7o 2
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1 "CH RDC values- 4.8% acrylamide gel stretched. d.l. S100B" 1 1 1 59 parsed_2k7o 2
2
;
assign ( resid 640 and name OO)
( resid 640 and name Z)
( resid 640 and name Y)
( resid 640 and name X)
( resid 26 and name ca and segid="sam1")
( resid 26 and name ha and segid="sam1") -40.7 0.4000
;
88 1 93 60 parsed_2k7o 2
3
;
assign ( resid 640 and name OO)
( resid 640 and name Z)
( resid 640 and name Y)
( resid 640 and name X)
( resid 35 and name ca and segid="sam1")
( resid 35 and name ha and segid="sam1") 58.9 0.4000
;
137 1 142 59 parsed_2k7o 2
4
;
assign ( resid 640 and name OO)
( resid 640 and name Z)
( resid 640 and name Y)
( resid 640 and name X)
( resid 26 and name ca and segid="sam2")
( resid 26 and name ha and segid="sam2") -40.7 0.4000
;
418 1 423 60 parsed_2k7o 2
5
;
assign ( resid 640 and name OO)
( resid 640 and name Z)
( resid 640 and name Y)
( resid 640 and name X)
( resid 35 and name ca and segid="sam2")
( resid 35 and name ha and segid="sam2") 58.9 0.4000
;
467 1 472 59 parsed_2k7o 2
stop_
save_