NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type |
|
|
50926 |
2k47   |
cing | 2-parsed | STAR | dipolar coupling |
data_2k47_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k47
_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_2k47 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k47
_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 2k47 "Master copy" parsed_2k47
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k47
_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 2k47.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k47 1
1 2k47.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k47 1
1 2k47.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_2k47 1
1 2k47.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k47 1
1 2k47.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2k47 1
1 2k47.mr . . XPLOR/CNS 6 distance NOE simple 0 parsed_2k47 1
1 2k47.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k47 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_2
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2k47
_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_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1 "assign ( resid 2 and name CA ) ( resid 2 and name HA ) 23.24 5.26 1.00 0" 1 1 1 81 parsed_2k47 1
2 "assign ( resid 4 and name CA ) ( resid 4 and name HA ) -42.69 3.07 1.00 0" 2 1 2 82 parsed_2k47 1
3 "assign ( resid 5 and name CA ) ( resid 5 and name HA ) 1.96 2.76 1.00 0" 3 1 3 80 parsed_2k47 1
4 "assign ( resid 7 and name CA ) ( resid 7 and name HA ) -3.97 5.25 1.00 0" 4 1 4 81 parsed_2k47 1
5 "assign ( resid 13 and name CA ) ( resid 13 and name HA ) 16.63 2.88 1.00 0" 5 1 5 83 parsed_2k47 1
6 "assign ( resid 15 and name CA ) ( resid 15 and name HA ) 19.60 3.31 1.00 0" 6 1 6 83 parsed_2k47 1
7 "assign ( resid 16 and name CA ) ( resid 16 and name HA ) 16.80 2.79 1.00 0" 7 1 7 83 parsed_2k47 1
8 "assign ( resid 24 and name CA ) ( resid 24 and name HA ) 16.56 1.97 1.00 0" 8 1 8 83 parsed_2k47 1
9 "assign ( resid 27 and name CA ) ( resid 27 and name HA ) 15.64 2.96 1.00 0" 9 1 9 83 parsed_2k47 1
10 "assign ( resid 28 and name CA ) ( resid 28 and name HA ) 14.46 4.68 1.00 0" 10 1 10 83 parsed_2k47 1
11 "assign ( resid 30 and name CA ) ( resid 30 and name HA ) -7.58 3.49 1.00 0" 11 1 11 83 parsed_2k47 1
12 "assign ( resid 31 and name CA ) ( resid 31 and name HA ) -8.93 2.69 1.00 0" 12 1 12 83 parsed_2k47 1
13 "assign ( resid 32 and name CA ) ( resid 32 and name HA ) 15.46 2.13 1.00 0" 13 1 13 83 parsed_2k47 1
14 "assign ( resid 33 and name CA ) ( resid 33 and name HA ) -21.67 3.40 1.00 0" 14 1 14 84 parsed_2k47 1
15 "assign ( resid 38 and name CA ) ( resid 38 and name HA ) 3.03 4.73 1.00 0" 15 1 15 82 parsed_2k47 1
16 "assign ( resid 39 and name CA ) ( resid 39 and name HA ) 26.46 2.27 1.00 0" 16 1 16 83 parsed_2k47 1
17 "assign ( resid 40 and name CA ) ( resid 40 and name HA ) -44.90 4.90 1.00 0" 17 1 17 84 parsed_2k47 1
18 "assign ( resid 43 and name CA ) ( resid 43 and name HA ) 23.41 4.84 1.00 0" 18 1 18 83 parsed_2k47 1
19 "assign ( resid 48 and name CA ) ( resid 48 and name HA ) 12.45 2.50 1.00 0" 19 1 19 83 parsed_2k47 1
20 "assign ( resid 49 and name CA ) ( resid 49 and name HA ) 12.67 2.04 1.00 0" 20 1 20 83 parsed_2k47 1
21 "assign ( resid 50 and name CA ) ( resid 50 and name HA ) -14.41 4.43 1.00 0" 21 1 21 84 parsed_2k47 1
22 "assign ( resid 51 and name CA ) ( resid 51 and name HA ) 4.86 2.79 1.00 0" 22 1 22 82 parsed_2k47 1
23 "assign ( resid 52 and name CA ) ( resid 52 and name HA ) 8.25 1.64 1.00 0" 23 1 23 82 parsed_2k47 1
24 "assign ( resid 53 and name CA ) ( resid 53 and name HA ) -36.14 2.23 1.00 0" 24 1 24 84 parsed_2k47 1
25 "assign ( resid 54 and name CA ) ( resid 54 and name HA ) 21.86 3.78 1.00 0" 25 1 25 83 parsed_2k47 1
26 "assign ( resid 56 and name CA ) ( resid 56 and name HA ) -22.97 2.39 1.00 0" 26 1 26 84 parsed_2k47 1
27 "assign ( resid 59 and name CA ) ( resid 59 and name HA ) 19.75 2.43 1.00 0" 27 1 27 83 parsed_2k47 1
28 "assign ( resid 61 and name CA ) ( resid 61 and name HA ) 17.92 3.18 1.00 0" 28 1 28 83 parsed_2k47 1
29 "assign ( resid 64 and name CA ) ( resid 64 and name HA ) 17.29 4.47 1.00 0" 29 1 29 83 parsed_2k47 1
30 "assign ( resid 65 and name CA ) ( resid 65 and name HA ) -17.84 4.00 1.00 0" 30 1 30 84 parsed_2k47 1
31 "assign ( resid 3 and name C ) ( resid 3 and name CA ) 1.50 0.93 1.00 0" 31 1 31 79 parsed_2k47 1
32 "assign ( resid 4 and name C ) ( resid 4 and name CA ) 2.07 0.86 1.00 0" 32 1 32 79 parsed_2k47 1
33 "assign ( resid 5 and name C ) ( resid 5 and name CA ) -2.01 0.90 1.00 0" 33 1 33 80 parsed_2k47 1
34 "assign ( resid 7 and name C ) ( resid 7 and name CA ) -0.63 0.86 1.00 0" 34 1 34 80 parsed_2k47 1
35 "assign ( resid 12 and name C ) ( resid 12 and name CA ) 0.52 0.73 1.00 0" 35 1 35 81 parsed_2k47 1
36 "assign ( resid 13 and name C ) ( resid 13 and name CA ) -3.52 0.96 1.00 0" 36 1 36 82 parsed_2k47 1
37 "assign ( resid 15 and name C ) ( resid 15 and name CA ) -0.74 0.89 1.00 0" 37 1 37 82 parsed_2k47 1
38 "assign ( resid 16 and name C ) ( resid 16 and name CA ) -3.99 1.24 1.00 0" 38 1 38 82 parsed_2k47 1
39 "assign ( resid 24 and name C ) ( resid 24 and name CA ) -2.90 0.66 1.00 0" 39 1 39 82 parsed_2k47 1
40 "assign ( resid 27 and name C ) ( resid 27 and name CA ) 1.25 0.68 1.00 0" 40 1 40 81 parsed_2k47 1
41 "assign ( resid 30 and name C ) ( resid 30 and name CA ) 2.21 1.00 1.00 0" 41 1 41 81 parsed_2k47 1
42 "assign ( resid 31 and name C ) ( resid 31 and name CA ) -0.54 1.16 1.00 0" 42 1 42 82 parsed_2k47 1
43 "assign ( resid 32 and name C ) ( resid 32 and name CA ) 1.61 0.76 1.00 0" 43 1 43 81 parsed_2k47 1
44 "assign ( resid 33 and name C ) ( resid 33 and name CA ) -0.75 0.93 1.00 0" 44 1 44 82 parsed_2k47 1
45 "assign ( resid 35 and name C ) ( resid 35 and name CA ) -4.66 0.71 1.00 0" 45 1 45 82 parsed_2k47 1
46 "assign ( resid 38 and name C ) ( resid 38 and name CA ) -2.98 0.78 1.00 0" 46 1 46 82 parsed_2k47 1
47 "assign ( resid 39 and name C ) ( resid 39 and name CA ) 1.36 0.70 1.00 0" 47 1 47 81 parsed_2k47 1
48 "assign ( resid 40 and name C ) ( resid 40 and name CA ) 2.40 0.91 1.00 0" 48 1 48 81 parsed_2k47 1
49 "assign ( resid 42 and name C ) ( resid 42 and name CA ) -2.67 0.76 1.00 0" 49 1 49 82 parsed_2k47 1
50 "assign ( resid 43 and name C ) ( resid 43 and name CA ) 2.65 0.96 1.00 0" 50 1 50 81 parsed_2k47 1
51 "assign ( resid 47 and name C ) ( resid 47 and name CA ) 2.72 1.04 1.00 0" 51 1 51 81 parsed_2k47 1
52 "assign ( resid 48 and name C ) ( resid 48 and name CA ) -3.71 0.56 1.00 0" 52 1 52 82 parsed_2k47 1
53 "assign ( resid 49 and name C ) ( resid 49 and name CA ) 2.19 0.57 1.00 0" 53 1 53 81 parsed_2k47 1
54 "assign ( resid 51 and name C ) ( resid 51 and name CA ) -4.17 0.82 1.00 0" 54 1 54 82 parsed_2k47 1
55 "assign ( resid 52 and name C ) ( resid 52 and name CA ) 2.84 0.50 1.00 0" 55 1 55 81 parsed_2k47 1
56 "assign ( resid 53 and name C ) ( resid 53 and name CA ) 2.00 0.57 1.00 0" 56 1 56 81 parsed_2k47 1
57 "assign ( resid 54 and name C ) ( resid 54 and name CA ) -0.23 0.84 1.00 0" 57 1 57 82 parsed_2k47 1
58 "assign ( resid 55 and name C ) ( resid 55 and name CA ) -0.27 0.55 1.00 0" 58 1 58 82 parsed_2k47 1
59 "assign ( resid 56 and name C ) ( resid 56 and name CA ) 1.84 0.64 1.00 0" 59 1 59 81 parsed_2k47 1
60 "assign ( resid 57 and name C ) ( resid 57 and name CA ) 0.45 1.12 1.00 0" 60 1 60 81 parsed_2k47 1
61 "assign ( resid 58 and name C ) ( resid 58 and name CA ) -2.74 0.86 1.00 0" 61 1 61 82 parsed_2k47 1
62 "assign ( resid 59 and name C ) ( resid 59 and name CA ) 1.75 0.82 1.00 0" 62 1 62 81 parsed_2k47 1
63 "assign ( resid 61 and name C ) ( resid 61 and name CA ) 0.19 0.92 1.00 0" 63 1 63 81 parsed_2k47 1
64 "assign ( resid 64 and name C ) ( resid 64 and name CA ) -0.88 1.12 1.00 0" 64 1 64 82 parsed_2k47 1
65 "assign ( resid 65 and name C ) ( resid 65 and name CA ) 2.04 1.13 1.00 0" 65 1 65 81 parsed_2k47 1
66 "assign ( resid 71 and name C ) ( resid 71 and name CA ) 1.44 0.95 1.00 0" 66 1 66 81 parsed_2k47 1
67 "assign ( resid 3 and name C ) ( resid 3 and name HN ) -1.54 0.74 1.00 0" 67 1 67 85 parsed_2k47 1
68 "assign ( resid 4 and name C ) ( resid 4 and name HN ) -0.83 0.60 1.00 0" 68 1 68 85 parsed_2k47 1
69 "assign ( resid 5 and name C ) ( resid 5 and name HN ) -4.96 0.60 1.00 0" 69 1 69 85 parsed_2k47 1
70 "assign ( resid 6 and name C ) ( resid 6 and name HN ) -2.50 0.60 1.00 0" 70 1 70 85 parsed_2k47 1
71 "assign ( resid 8 and name C ) ( resid 8 and name HN ) 1.11 0.60 1.00 0" 71 1 71 85 parsed_2k47 1
72 "assign ( resid 9 and name C ) ( resid 9 and name HN ) -6.75 1.24 1.00 0" 72 1 72 85 parsed_2k47 1
73 "assign ( resid 11 and name C ) ( resid 11 and name HN ) 6.35 0.60 1.00 0" 73 1 73 85 parsed_2k47 1
74 "assign ( resid 12 and name C ) ( resid 12 and name HN ) -0.73 0.60 1.00 0" 74 1 74 85 parsed_2k47 1
75 "assign ( resid 13 and name C ) ( resid 13 and name HN ) 2.91 0.60 1.00 0" 75 1 75 85 parsed_2k47 1
76 "assign ( resid 14 and name C ) ( resid 14 and name HN ) -1.97 0.60 1.00 0" 76 1 76 85 parsed_2k47 1
77 "assign ( resid 16 and name C ) ( resid 16 and name HN ) -3.96 0.60 1.00 0" 77 1 77 85 parsed_2k47 1
78 "assign ( resid 17 and name C ) ( resid 17 and name HN ) 5.76 0.60 1.00 0" 78 1 78 85 parsed_2k47 1
79 "assign ( resid 28 and name C ) ( resid 28 and name HN ) -3.99 0.60 1.00 0" 79 1 79 85 parsed_2k47 1
80 "assign ( resid 29 and name C ) ( resid 29 and name HN ) -4.05 0.60 1.00 0" 80 1 80 85 parsed_2k47 1
81 "assign ( resid 31 and name C ) ( resid 31 and name HN ) 4.50 0.60 1.00 0" 81 1 81 85 parsed_2k47 1
82 "assign ( resid 32 and name C ) ( resid 32 and name HN ) -0.09 0.60 1.00 0" 82 1 82 85 parsed_2k47 1
83 "assign ( resid 34 and name C ) ( resid 34 and name HN ) -2.65 0.60 1.00 0" 83 1 83 85 parsed_2k47 1
84 "assign ( resid 36 and name C ) ( resid 36 and name HN ) 7.30 0.60 1.00 0" 84 1 84 85 parsed_2k47 1
85 "assign ( resid 37 and name C ) ( resid 37 and name HN ) 0.64 0.60 1.00 0" 85 1 85 85 parsed_2k47 1
86 "assign ( resid 39 and name C ) ( resid 39 and name HN ) 7.57 0.60 1.00 0" 86 1 86 85 parsed_2k47 1
87 "assign ( resid 40 and name C ) ( resid 40 and name HN ) -5.38 0.60 1.00 0" 87 1 87 85 parsed_2k47 1
88 "assign ( resid 43 and name C ) ( resid 43 and name HN ) -4.30 0.60 1.00 0" 88 1 88 85 parsed_2k47 1
89 "assign ( resid 44 and name C ) ( resid 44 and name HN ) 13.50 0.60 1.00 0" 89 1 89 85 parsed_2k47 1
90 "assign ( resid 45 and name C ) ( resid 45 and name HN ) 1.10 1.40 1.00 0" 90 1 90 85 parsed_2k47 1
91 "assign ( resid 46 and name C ) ( resid 46 and name HN ) -0.32 0.60 1.00 0" 91 1 91 85 parsed_2k47 1
92 "assign ( resid 47 and name C ) ( resid 47 and name HN ) 1.71 0.90 1.00 0" 92 1 92 85 parsed_2k47 1
93 "assign ( resid 48 and name C ) ( resid 48 and name HN ) 8.22 0.60 1.00 0" 93 1 93 85 parsed_2k47 1
94 "assign ( resid 49 and name C ) ( resid 49 and name HN ) -2.53 0.60 1.00 0" 94 1 94 85 parsed_2k47 1
95 "assign ( resid 50 and name C ) ( resid 50 and name HN ) 1.68 0.60 1.00 0" 95 1 95 85 parsed_2k47 1
96 "assign ( resid 51 and name C ) ( resid 51 and name HN ) 3.39 0.60 1.00 0" 96 1 96 85 parsed_2k47 1
97 "assign ( resid 52 and name C ) ( resid 52 and name HN ) -0.48 0.60 1.00 0" 97 1 97 85 parsed_2k47 1
98 "assign ( resid 53 and name C ) ( resid 53 and name HN ) -1.78 0.60 1.00 0" 98 1 98 85 parsed_2k47 1
99 "assign ( resid 54 and name C ) ( resid 54 and name HN ) -0.06 0.60 1.00 0" 99 1 99 85 parsed_2k47 1
100 "assign ( resid 55 and name C ) ( resid 55 and name HN ) 1.53 0.60 1.00 0" 100 1 100 85 parsed_2k47 1
101 "assign ( resid 56 and name C ) ( resid 56 and name HN ) -1.78 0.60 1.00 0" 101 1 101 85 parsed_2k47 1
102 "assign ( resid 57 and name C ) ( resid 57 and name HN ) -3.83 0.60 1.00 0" 102 1 102 85 parsed_2k47 1
103 "assign ( resid 58 and name C ) ( resid 58 and name HN ) -1.13 0.60 1.00 0" 103 1 103 85 parsed_2k47 1
104 "assign ( resid 59 and name C ) ( resid 59 and name HN ) 1.68 0.60 1.00 0" 104 1 104 85 parsed_2k47 1
105 "assign ( resid 60 and name C ) ( resid 60 and name HN ) 1.09 0.60 1.00 0" 105 1 105 85 parsed_2k47 1
106 "assign ( resid 61 and name C ) ( resid 61 and name HN ) -1.09 0.90 1.00 0" 106 1 106 85 parsed_2k47 1
107 "assign ( resid 62 and name C ) ( resid 62 and name HN ) -0.54 0.60 1.00 0" 107 1 107 85 parsed_2k47 1
108 "assign ( resid 65 and name C ) ( resid 65 and name HN ) -2.53 0.60 1.00 0" 108 1 108 85 parsed_2k47 1
109 "assign ( resid 66 and name C ) ( resid 66 and name HN ) -3.68 0.64 1.00 0" 109 1 109 85 parsed_2k47 1
110 "assign ( resid 68 and name C ) ( resid 68 and name HN ) 0.07 0.60 1.00 0" 110 1 110 85 parsed_2k47 1
111 "assign ( resid 69 and name C ) ( resid 69 and name HN ) -4.00 0.60 1.00 0" 111 1 111 85 parsed_2k47 1
112 "assign ( resid 70 and name C ) ( resid 70 and name HN ) 9.13 1.07 1.00 0" 112 1 112 85 parsed_2k47 1
113 "assign ( resid 71 and name C ) ( resid 71 and name HN ) -1.27 1.14 1.00 0" 113 1 113 85 parsed_2k47 1
stop_
save_
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