NMR Restraints Grid

Result table
(Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type

649625 6u6p 30661 cing 2-parsed STAR dipolar coupling
data_6u6p_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_6u6p 
    _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_6u6p   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_6u6p 
    _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   6u6p   "Master copy"    parsed_6u6p   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_6u6p 
    _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   6u6p.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_6u6p   1   
        1   6u6p.mr   .   .    XPLOR/CNS     2   "dipolar coupling"        "Not applicable"    "Not applicable"    0   parsed_6u6p   1   
        1   6u6p.mr   .   .   "MR format"    3   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_6u6p   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_2
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_6u6p 
    _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   
;
# Restraints file 1: rdc_delta10.cst
17 N 17 H 1.55
18 N 18 H -3.58
19 N 19 H -4.69
22 N 22 H 16.23
23 N 23 H 15.29
24 N 24 H 17.61
25 N 25 H 13.89
26 N 26 H 16.87
27 N 27 H 13.82
29 N 29 H 12.69
30 N 30 H 12.23
31 N 31 H 9.52
32 N 32 H 5.66
33 N 33 H 5.15
34 N 34 H -6.13
35 N 35 H 7.83
36 N 36 H 7.82
38 N 38 H 2.72
39 N 39 H 9.16
40 N 40 H -12.32
42 N 42 H -13.38
44 N 44 H -19.48
45 N 45 H -23.47
46 N 46 H -16.64
47 N 47 H -13.64
48 N 48 H -21.45
49 N 49 H -21.14
52 N 52 H -23.18
53 N 53 H -19.02
54 N 54 H -14.21
55 N 55 H -12.78
56 N 56 H -8.93
57 N 57 H -7.97
58 N 58 H -9.69
60 N 60 H -1.96
62 N 62 H 10.7
63 N 63 H 9.14
64 N 64 H 16.35
67 N 67 H 13.42
68 N 68 H 12.92
69 N 69 H 6.94
70 N 70 H 8.67
71 N 71 H 10.69
72 N 72 H 2.42
74 N 74 H 14.95
75 N 75 H 16.6
76 N 76 H 15.42
77 N 77 H 16.89
78 N 78 H 12.59
79 N 79 H 16.84
80 N 80 H 9.05
81 N 81 H 8.46
# Restraints file 2: rdc_full_len.cst
17 N 17 H 0.33
18 N 18 H -4.67
19 N 19 H -6.28
21 N 21 H 15.66
22 N 22 H 16.68
23 N 23 H 17.51
24 N 24 H 18.07
25 N 25 H 15.76
26 N 26 H 17.37
27 N 27 H 14.52
28 N 28 H 17.24
29 N 29 H 14.66
30 N 30 H 13
31 N 31 H 11.74
32 N 32 H 6.45
33 N 33 H 6.72
34 N 34 H -7.71
35 N 35 H 9.04
36 N 36 H 8.79
38 N 38 H 4.95
39 N 39 H 9.36
44 N 44 H -21.86
45 N 45 H -25.05
46 N 46 H -19.33
47 N 47 H -15.42
48 N 48 H -22.86
50 N 50 H -17.97
51 N 51 H -19.86
53 N 53 H -20.92
55 N 55 H -13.19
56 N 56 H -9.86
57 N 57 H -10.29
58 N 58 H -9.81
60 N 60 H -2.4
61 N 61 H 8.12
62 N 62 H 12.38
63 N 63 H 8.45
64 N 64 H 16.59
65 N 65 H 15.73
67 N 67 H 15.84
70 N 70 H 13.79
72 N 72 H 11.26
74 N 74 H 15.18
75 N 75 H 18.19
76 N 76 H 15.18
77 N 77 H 18.11
78 N 78 H 12.8
79 N 79 H 18.22
80 N 80 H 10.98
81 N 81 H 10.83
;
   1   1   104   15   parsed_6u6p   1   
    stop_

save_
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Contact the webmaster for help, if required. Friday, May 3, 2024 6:11:17 AM GMT (wattos1)
image	mrblock_id	pdb_id	bmrb_id	cing	stage	program	type
	649625	6u6p	30661	cing	2-parsed	STAR	dipolar coupling