NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
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|
634621 |
6c0a   |
25902 | cing | 2-parsed | STAR | dipolar coupling |
data_6c0a_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6c0a
_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_6c0a 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6c0a
_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 6c0a "Master copy" parsed_6c0a
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6c0a
_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 6c0a.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6c0a 1
1 6c0a.mr . . XPLOR/CNS 2 distance NOE ambi 6 parsed_6c0a 1
1 6c0a.mr . . XPLOR/CNS 3 distance NOE simple 73 parsed_6c0a 1
1 6c0a.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_6c0a 1
1 6c0a.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_6c0a 1
1 6c0a.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6c0a 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6c0a
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_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 3: aEF_RDC_Final.txt
DATA SEQUENCE DTADQVMASFKILAGDKNYITMDELRRELPPDQAEYCIARMAPYTGPDSVPGALDYMSFSTALYGESDL
DATA SEQUENCE TVGKFYATFLIQEYFRKFKKRKEQG
VARS RESID_I RESNAME_I ATOMNAME_I RESID_J RESNAME_J ATOMNAME_J D DD W
FORMAT %5d %6s %6s %5d %6s %6s %9.3f %9.3f %.2f
824 ASP N 824 ASP HN -1.950 1 1
825 THR N 825 THR HN 2.520 1 1
826 ALA N 826 ALA HN -7.470 1 1
827 ASP N 827 ASP HN -7.780 1 1
829 VAL N 829 VAL HN -12.480 1 1
833 PHE N 833 PHE HN -13.280 1 1
834 LYS N 834 LYS HN -15.090 1 1
835 ILE N 835 ILE HN -0.330 1 1
837 ALA N 837 ALA HN -11.150 1 1
839 ASP N 839 ASP HN 14.100 1 1
844 THR N 844 THR HN 6.240 1 1
845 MET N 845 MET HN 14.040 1 1
846 ASP N 846 ASP HN 8.030 1 1
849 ARG N 849 ARG HN 9.660 1 1
851 GLU N 851 GLU HN 17.860 1 1
856 GLN N 856 GLN HN 3.650 1 1
857 ALA N 857 ALA HN 6.820 1 1
858 GLU N 858 GLU HN 9.130 1 1
859 TYR N 859 TYR HN 15.640 1 1
860 CYS N 860 CYS HN 7.060 1 1
862 ALA N 862 ALA HN 12.490 1 1
863 ARG N 863 ARG HN 7.220 1 1
865 ALA N 865 ALA HN 1.700 1 1
867 TYR N 867 TYR HN -1.020 1 1
868 THR N 868 THR HN 7.700 1 1
871 ASP N 871 ASP HN -8.430 1 1
872 SER N 872 SER HN 8.760 1 1
873 VAL N 873 VAL HN -10.780 1 1
875 GLY N 875 GLY HN 8.920 1 1
879 TYR N 879 TYR HN -14.510 1 1
880 MET N 880 MET HN -4.770 1 1
881 SER N 881 SER HN -11.100 1 1
888 GLY N 888 GLY HN -1.050 1 1
890 SER N 890 SER HN 0.730 1 1
1654 ILE N 1654 ILE HN -14.680 1 1
1658 PHE N 1658 PHE HN -19.690 1 1
;
1 1 43 65 parsed_6c0a 1
stop_
save_
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