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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
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32171 |
1fh3 ![]() ![]() |
4853 | cing | 2-parsed | STAR | comment |
data_1fh3_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1fh3 _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_1fh3 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1fh3 _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 1fh3 "Master copy" parsed_1fh3 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1fh3 _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 1fh3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1fh3 1 1 1fh3.mr . . XPLOR/CNS 2 distance NOE simple 0 parsed_1fh3 1 1 1fh3.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_1fh3 1 1 1fh3.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1fh3 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_1fh3 _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 TOXIN 31-JUL-00 1FH3 *TITLE NMR STRUCTURES OF LQH III ALPHA-LIKE SCORPION TOXIN FROM *TITLE 2 LEIURUS QUINQUESTRIATUS CORRESPONDING TO THE MAJOR *TITLE 3 CONFORMER IN SOLUTION *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: LQH III ALPHA-LIKE TOXIN; *COMPND 3 CHAIN: A *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: LEIURUS QUINQUESTRIATUS HEBRAEUS; *SOURCE 3 SECRETION: VENOM *KEYWDS ALPHA-LIKE TOXIN, SCORPION TOXIN, SODIUM CHANNEL INHIBITOR *KEYWDS 2 NON-PROLINE CIS PEPTIDE BOND, CIS-TRANS ISOMERISM *EXPDTA NMR, 42 STRUCTURES *AUTHOR I.KRIMM, X.TRIVELLI, J.M.LANCELIN *REVDAT 1 23-AUG-00 1FH3 0 remarks NOE restraints for LqhIII remarks data from noesy spectrum 150 ms mixing time at 311 K remarks r0 dlow dhigh for N-H remarks 2.1 0.3 0.9 1.8 - 3.0 noe fort remarks 2.4 0.6 1.2 1.8 - 3.6 noe moyen remarks 2.9 1.1 2.4 1.8 - 5.3 noe faible remarks 3.5 1.7 2.8 1.8 - 6.3 noe tres faible remarks r0 dlow dhigh for C-H remarks 2.1 0.3 0.6 1.8 - 2.7 noe fort remarks 2.4 0.6 0.9 1.8 - 3.3 noe moyen remarks 2.9 1.1 2.1 1.8 - 5.0 noe faible remarks 3.5 1.7 2.5 1.8 - 6.0 noe tres faible remarks 1.0 added for noe involving CH3 - 2.0 added for two noe involving CH3 remarks 1.0 added for noe involving CH2 remarks 2.0 added for noe involving aromatics H remarks nombre de NOE = nombre de lignes - 342 ; save_
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