data_6682 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6682 _Entry.Title ; Solution Structure of a Human C2H2-type Zinc Finger Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-06-09 _Entry.Accession_date 2005-09-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 B. Lytle . L. . 6682 2 F. Peterson . C. . 6682 3 B. Volkman . F. . 6682 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6682 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 404 6682 '13C chemical shifts' 278 6682 '15N chemical shifts' 68 6682 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2009-07-27 2005-06-09 update BMRB 'added time domain data' 6682 2 . . 2008-07-01 2005-06-09 update BMRB 'update entry citation' 6682 1 . . 2005-07-27 2005-06-09 original author 'original release' 6682 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6682 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18287285 _Citation.Full_citation . _Citation.Title ; The solution structure of ZNF593 from Homo sapiens reveals a zinc finger in a predominantly unstructured protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 571 _Citation.Page_last 576 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 P. Hayes . L. . 6682 1 2 B. Lytle . L. . 6682 1 3 B. Volkman . F. . 6682 1 4 F. Peterson . C. . 6682 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'zinc finger' 6682 1 'DNA binding' 6682 1 'Structural Genomics' 6682 1 PSI 6682 1 'Protein Structure Initiative' 6682 1 'Center for Eukaryotic Structural Genomics' 6682 1 CESG 6682 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ZNF593 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ZNF593 _Assembly.Entry_ID 6682 _Assembly.ID 1 _Assembly.Name 'Zinc finger protein 593' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6682 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Zinc finger protein 593' 1 $Zinc_finger_protein_593 . . . native . . . . . 6682 1 2 'ZINC ION' 2 $ZN . . . native . . . . . 6682 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 53 53 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6682 1 2 coordination single . 1 . 1 CYS 56 56 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6682 1 3 coordination single . 1 . 1 HIS 69 69 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6682 1 4 coordination single . 1 . 1 HIS 75 75 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6682 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1ZR9 . . . . . . 6682 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Zinc finger protein 593' system 6682 1 ZNF593 abbreviation 6682 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Zinc_finger_protein_593 _Entity.Sf_category entity _Entity.Sf_framecode Zinc_finger_protein_593 _Entity.Entry_ID 6682 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Zinc finger protein 593' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHHHHHHLEKAKRRRPDLDE IHRELRPQGSARPQPDPNAE FDPDLPGGGLHRCLACARYF IDSTNLKTHFRSKDHKKRLK QLSVEPYSQEEAERAAGMGS YVPPRRLAVPTEVSTEVPEM DTST ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . SWISS-PROT O00488 . 'Zinc finger protein 593 (Zinc finger protein T86)' . . . . . 92.74 116 100.00 100.00 3.61e-61 . . . . 6682 1 . . GenBank ABZ92327 . 'zinc finger protein 593 [synthetic construct]' . . . . . 92.74 116 100.00 100.00 3.61e-61 . . . . 6682 1 . . GenBank AAH19267 . 'Zinc finger protein 593 [Homo sapiens]' . . . . . 92.74 116 100.00 100.00 3.61e-61 . . . . 6682 1 . . GenBank AAH02580 . 'Zinc finger protein 593 [Homo sapiens]' . . . . . 92.74 116 100.00 100.00 3.61e-61 . . . . 6682 1 . . DBJ BAG34867 . 'unnamed protein product [Homo sapiens]' . . . . . 92.74 116 100.00 100.00 3.61e-61 . . . . 6682 1 . . DBJ BAA20369 . 'zinc finger protein [Homo sapiens]' . . . . . 92.74 116 100.00 100.00 3.61e-61 . . . . 6682 1 . . PDB 1ZR9 . 'Solution Structure Of A Human C2h2-Type Zinc Finger Protein' . . . . . 100.00 124 100.00 100.00 1.23e-66 . . . . 6682 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Zinc finger protein 593' common 6682 1 ZNF593 abbreviation 6682 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -7 GLY . 6682 1 2 -6 HIS . 6682 1 3 -5 HIS . 6682 1 4 -4 HIS . 6682 1 5 -3 HIS . 6682 1 6 -2 HIS . 6682 1 7 -1 HIS . 6682 1 8 0 LEU . 6682 1 9 1 GLU . 6682 1 10 2 LYS . 6682 1 11 3 ALA . 6682 1 12 4 LYS . 6682 1 13 5 ARG . 6682 1 14 6 ARG . 6682 1 15 7 ARG . 6682 1 16 8 PRO . 6682 1 17 9 ASP . 6682 1 18 10 LEU . 6682 1 19 11 ASP . 6682 1 20 12 GLU . 6682 1 21 13 ILE . 6682 1 22 14 HIS . 6682 1 23 15 ARG . 6682 1 24 16 GLU . 6682 1 25 17 LEU . 6682 1 26 18 ARG . 6682 1 27 19 PRO . 6682 1 28 20 GLN . 6682 1 29 21 GLY . 6682 1 30 22 SER . 6682 1 31 23 ALA . 6682 1 32 24 ARG . 6682 1 33 25 PRO . 6682 1 34 26 GLN . 6682 1 35 27 PRO . 6682 1 36 28 ASP . 6682 1 37 29 PRO . 6682 1 38 30 ASN . 6682 1 39 31 ALA . 6682 1 40 32 GLU . 6682 1 41 33 PHE . 6682 1 42 34 ASP . 6682 1 43 35 PRO . 6682 1 44 36 ASP . 6682 1 45 37 LEU . 6682 1 46 38 PRO . 6682 1 47 39 GLY . 6682 1 48 40 GLY . 6682 1 49 41 GLY . 6682 1 50 42 LEU . 6682 1 51 43 HIS . 6682 1 52 44 ARG . 6682 1 53 45 CYS . 6682 1 54 46 LEU . 6682 1 55 47 ALA . 6682 1 56 48 CYS . 6682 1 57 49 ALA . 6682 1 58 50 ARG . 6682 1 59 51 TYR . 6682 1 60 52 PHE . 6682 1 61 53 ILE . 6682 1 62 54 ASP . 6682 1 63 55 SER . 6682 1 64 56 THR . 6682 1 65 57 ASN . 6682 1 66 58 LEU . 6682 1 67 59 LYS . 6682 1 68 60 THR . 6682 1 69 61 HIS . 6682 1 70 62 PHE . 6682 1 71 63 ARG . 6682 1 72 64 SER . 6682 1 73 65 LYS . 6682 1 74 66 ASP . 6682 1 75 67 HIS . 6682 1 76 68 LYS . 6682 1 77 69 LYS . 6682 1 78 70 ARG . 6682 1 79 71 LEU . 6682 1 80 72 LYS . 6682 1 81 73 GLN . 6682 1 82 74 LEU . 6682 1 83 75 SER . 6682 1 84 76 VAL . 6682 1 85 77 GLU . 6682 1 86 78 PRO . 6682 1 87 79 TYR . 6682 1 88 80 SER . 6682 1 89 81 GLN . 6682 1 90 82 GLU . 6682 1 91 83 GLU . 6682 1 92 84 ALA . 6682 1 93 85 GLU . 6682 1 94 86 ARG . 6682 1 95 87 ALA . 6682 1 96 88 ALA . 6682 1 97 89 GLY . 6682 1 98 90 MET . 6682 1 99 91 GLY . 6682 1 100 92 SER . 6682 1 101 93 TYR . 6682 1 102 94 VAL . 6682 1 103 95 PRO . 6682 1 104 96 PRO . 6682 1 105 97 ARG . 6682 1 106 98 ARG . 6682 1 107 99 LEU . 6682 1 108 100 ALA . 6682 1 109 101 VAL . 6682 1 110 102 PRO . 6682 1 111 103 THR . 6682 1 112 104 GLU . 6682 1 113 105 VAL . 6682 1 114 106 SER . 6682 1 115 107 THR . 6682 1 116 108 GLU . 6682 1 117 109 VAL . 6682 1 118 110 PRO . 6682 1 119 111 GLU . 6682 1 120 112 MET . 6682 1 121 113 ASP . 6682 1 122 114 THR . 6682 1 123 115 SER . 6682 1 124 116 THR . 6682 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6682 1 . HIS 2 2 6682 1 . HIS 3 3 6682 1 . HIS 4 4 6682 1 . HIS 5 5 6682 1 . HIS 6 6 6682 1 . HIS 7 7 6682 1 . LEU 8 8 6682 1 . GLU 9 9 6682 1 . LYS 10 10 6682 1 . ALA 11 11 6682 1 . LYS 12 12 6682 1 . ARG 13 13 6682 1 . ARG 14 14 6682 1 . ARG 15 15 6682 1 . PRO 16 16 6682 1 . ASP 17 17 6682 1 . LEU 18 18 6682 1 . ASP 19 19 6682 1 . GLU 20 20 6682 1 . ILE 21 21 6682 1 . HIS 22 22 6682 1 . ARG 23 23 6682 1 . GLU 24 24 6682 1 . LEU 25 25 6682 1 . ARG 26 26 6682 1 . PRO 27 27 6682 1 . GLN 28 28 6682 1 . GLY 29 29 6682 1 . SER 30 30 6682 1 . ALA 31 31 6682 1 . ARG 32 32 6682 1 . PRO 33 33 6682 1 . GLN 34 34 6682 1 . PRO 35 35 6682 1 . ASP 36 36 6682 1 . PRO 37 37 6682 1 . ASN 38 38 6682 1 . ALA 39 39 6682 1 . GLU 40 40 6682 1 . PHE 41 41 6682 1 . ASP 42 42 6682 1 . PRO 43 43 6682 1 . ASP 44 44 6682 1 . LEU 45 45 6682 1 . PRO 46 46 6682 1 . GLY 47 47 6682 1 . GLY 48 48 6682 1 . GLY 49 49 6682 1 . LEU 50 50 6682 1 . HIS 51 51 6682 1 . ARG 52 52 6682 1 . CYS 53 53 6682 1 . LEU 54 54 6682 1 . ALA 55 55 6682 1 . CYS 56 56 6682 1 . ALA 57 57 6682 1 . ARG 58 58 6682 1 . TYR 59 59 6682 1 . PHE 60 60 6682 1 . ILE 61 61 6682 1 . ASP 62 62 6682 1 . SER 63 63 6682 1 . THR 64 64 6682 1 . ASN 65 65 6682 1 . LEU 66 66 6682 1 . LYS 67 67 6682 1 . THR 68 68 6682 1 . HIS 69 69 6682 1 . PHE 70 70 6682 1 . ARG 71 71 6682 1 . SER 72 72 6682 1 . LYS 73 73 6682 1 . ASP 74 74 6682 1 . HIS 75 75 6682 1 . LYS 76 76 6682 1 . LYS 77 77 6682 1 . ARG 78 78 6682 1 . LEU 79 79 6682 1 . LYS 80 80 6682 1 . GLN 81 81 6682 1 . LEU 82 82 6682 1 . SER 83 83 6682 1 . VAL 84 84 6682 1 . GLU 85 85 6682 1 . PRO 86 86 6682 1 . TYR 87 87 6682 1 . SER 88 88 6682 1 . GLN 89 89 6682 1 . GLU 90 90 6682 1 . GLU 91 91 6682 1 . ALA 92 92 6682 1 . GLU 93 93 6682 1 . ARG 94 94 6682 1 . ALA 95 95 6682 1 . ALA 96 96 6682 1 . GLY 97 97 6682 1 . MET 98 98 6682 1 . GLY 99 99 6682 1 . SER 100 100 6682 1 . TYR 101 101 6682 1 . VAL 102 102 6682 1 . PRO 103 103 6682 1 . PRO 104 104 6682 1 . ARG 105 105 6682 1 . ARG 106 106 6682 1 . LEU 107 107 6682 1 . ALA 108 108 6682 1 . VAL 109 109 6682 1 . PRO 110 110 6682 1 . THR 111 111 6682 1 . GLU 112 112 6682 1 . VAL 113 113 6682 1 . SER 114 114 6682 1 . THR 115 115 6682 1 . GLU 116 116 6682 1 . VAL 117 117 6682 1 . PRO 118 118 6682 1 . GLU 119 119 6682 1 . MET 120 120 6682 1 . ASP 121 121 6682 1 . THR 122 122 6682 1 . SER 123 123 6682 1 . THR 124 124 6682 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6682 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 6682 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6682 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Zinc_finger_protein_593 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6682 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 6682 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Zinc_finger_protein_593 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'Wheat germ cell-free expression system.' . . 6682 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 6682 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 9 10:10:13 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Zn+2] SMILES ACDLabs 10.04 6682 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6682 ZN [Zn++] SMILES CACTVS 3.341 6682 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6682 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6682 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 6682 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6682 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 6682 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6682 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6682 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6682 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Zinc finger protein 593' '[U-15N; U-13C]' . . 1 $Zinc_finger_protein_593 . . 0.6 . . mM . . . . 6682 1 2 'Bis Tris' . . . . . . . 10 . . mM . . . . 6682 1 3 NaCl . . . . . . . 100 . . mM . . . . 6682 1 4 DTT . . . . . . . 2 . . mM . . . . 6682 1 5 H2O . . . . . . . 90 . . % . . . . 6682 1 6 D2O . . . . . . . 10 . . % . . . . 6682 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6682 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 6682 1 temperature 298 . K 6682 1 'ionic strength' 100 . mM 6682 1 pressure 1 . atm 6682 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6682 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.5 _Software.Details 'Bruker Biospin' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6682 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6682 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2004 _Software.Details 'F. Delaglio' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6682 2 stop_ save_ save_SPSCAN _Software.Sf_category software _Software.Sf_framecode SPSCAN _Software.Entry_ID 6682 _Software.ID 3 _Software.Name SPSCAN _Software.Version 1.1.0 _Software.Details 'R.W. Glaser' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6682 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6682 _Software.ID 4 _Software.Name XEASY _Software.Version 1.3 _Software.Details 'C. Bartels' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6682 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 6682 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details 'C. Bartels' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6682 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6682 _Software.ID 6 _Software.Name CYANA _Software.Version 1.0.6 _Software.Details 'T. Herrmann, P. Guentert, K. Wuethrich' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6682 6 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 6682 _Software.ID 7 _Software.Name XPLOR-NIH _Software.Version 2.0.6 _Software.Details 'G. Marius Clore' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6682 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6682 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6682 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AVANCE . 600 . . . 6682 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6682 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' yes 1 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6682 1 2 HNCA yes 2 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6682 1 3 HNCO yes 3 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6682 1 4 HN(CO)CA yes 4 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6682 1 5 HNCACB yes 5 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6682 1 6 HN(CA)CO yes 6 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6682 1 7 C(CO)NH yes 7 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6682 1 8 HBHA(CO)NH yes 8 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6682 1 9 HCCH-TOCSY yes 9 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6682 1 10 '3D 13C-separated NOESY (aliph)' yes 10 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6682 1 11 '3D 15N-separated NOESY' yes 11 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6682 1 12 '3D 13C-separated NOESY (AROMATIC)' yes 12 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6682 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 6682 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/120204.bc019267/2/' . . . . . . . 6682 1 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/120204.bc019267/2/' . . . . . . . 6682 1 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/120204.bc019267/2/' . . . . . . . 6682 1 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/120204.bc019267/2/' . . . . . . . 6682 1 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/120204.bc019267/2/pdata/1/' . . . . . . . 6682 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 6682 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/6/' . . . . . . . 6682 2 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/6/' . . . . . . . 6682 2 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/6/' . . . . . . . 6682 2 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/6/' . . . . . . . 6682 2 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/6/pdata/2/' . . . . . . . 6682 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 6682 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/3/' . . . . . . . 6682 3 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/3/' . . . . . . . 6682 3 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/3/' . . . . . . . 6682 3 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/3/' . . . . . . . 6682 3 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/3/pdata/2/' . . . . . . . 6682 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 6682 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/4/' . . . . . . . 6682 4 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/4/' . . . . . . . 6682 4 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/4/' . . . . . . . 6682 4 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/4/' . . . . . . . 6682 4 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/4/pdata/2/' . . . . . . . 6682 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 6682 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/7/' . . . . . . . 6682 5 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/7/' . . . . . . . 6682 5 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/7/' . . . . . . . 6682 5 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/7/' . . . . . . . 6682 5 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/101904.bc019267/7/pdata/2/' . . . . . . . 6682 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 6682 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/3/' . . . . . . . 6682 6 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/3/' . . . . . . . 6682 6 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/3/' . . . . . . . 6682 6 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/3/' . . . . . . . 6682 6 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/3/pdata/2/' . . . . . . . 6682 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 6682 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/6/' . . . . . . . 6682 7 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/6/' . . . . . . . 6682 7 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/6/' . . . . . . . 6682 7 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/6/' . . . . . . . 6682 7 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/6/pdata/1/' . . . . . . . 6682 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 6682 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/5/' . . . . . . . 6682 8 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/5/' . . . . . . . 6682 8 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/5/' . . . . . . . 6682 8 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/5/' . . . . . . . 6682 8 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/5/pdata/2/' . . . . . . . 6682 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 6682 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/8/' . . . . . . . 6682 9 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/8/' . . . . . . . 6682 9 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/8/' . . . . . . . 6682 9 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/8/' . . . . . . . 6682 9 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102104.bc019267/8/pdata/1/' . . . . . . . 6682 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 6682 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 13C-separated NOESY (aliph)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/120204.bc019267/11/' . . . . . . . 6682 10 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/120204.bc019267/11/' . . . . . . . 6682 10 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/120204.bc019267/11/' . . . . . . . 6682 10 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/120204.bc019267/11/' . . . . . . . 6682 10 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/120204.bc019267/11/pdata/1/' . . . . . . . 6682 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 6682 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/120204.bc019267/13/' . . . . . . . 6682 11 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/120204.bc019267/13/' . . . . . . . 6682 11 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/120204.bc019267/13/' . . . . . . . 6682 11 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/120204.bc019267/13/' . . . . . . . 6682 11 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/120204.bc019267/13/pdata/1/' . . . . . . . 6682 11 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 6682 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D 13C-separated NOESY (AROMATIC)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102804.bc019267/5/' . . . . . . . 6682 12 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102804.bc019267/5/' . . . . . . . 6682 12 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102804.bc019267/5/' . . . . . . . 6682 12 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102804.bc019267/5/' . . . . . . . 6682 12 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6682/timedomain_data/102804.bc019267/5/pdata/1/' . . . . . . . 6682 12 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6682 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 . direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6682 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6682 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6682 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6682 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6682 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 36 36 ASP N N 15 122.5 0.15 . 1 . . . . . . . . 6682 1 2 . 1 1 36 36 ASP H H 1 8.46 0.02 . 1 . . . . . . . . 6682 1 3 . 1 1 36 36 ASP CA C 13 52.3 0.15 . 1 . . . . . . . . 6682 1 4 . 1 1 36 36 ASP HA H 1 4.88 0.02 . 1 . . . . . . . . 6682 1 5 . 1 1 36 36 ASP CB C 13 41.7 0.15 . 1 . . . . . . . . 6682 1 6 . 1 1 36 36 ASP HB2 H 1 2.81 0.02 . 2 . . . . . . . . 6682 1 7 . 1 1 36 36 ASP HB3 H 1 2.60 0.02 . 2 . . . . . . . . 6682 1 8 . 1 1 37 37 PRO CD C 13 51.7 0.15 . 1 . . . . . . . . 6682 1 9 . 1 1 37 37 PRO CA C 13 63.8 0.15 . 1 . . . . . . . . 6682 1 10 . 1 1 37 37 PRO HA H 1 4.43 0.02 . 1 . . . . . . . . 6682 1 11 . 1 1 37 37 PRO CB C 13 32.1 0.15 . 1 . . . . . . . . 6682 1 12 . 1 1 37 37 PRO HB2 H 1 2.32 0.02 . 2 . . . . . . . . 6682 1 13 . 1 1 37 37 PRO HB3 H 1 1.98 0.02 . 2 . . . . . . . . 6682 1 14 . 1 1 37 37 PRO CG C 13 27.1 0.15 . 1 . . . . . . . . 6682 1 15 . 1 1 37 37 PRO HG2 H 1 2.03 0.02 . 2 . . . . . . . . 6682 1 16 . 1 1 37 37 PRO HG3 H 1 1.91 0.02 . 2 . . . . . . . . 6682 1 17 . 1 1 37 37 PRO HD2 H 1 3.86 0.02 . 1 . . . . . . . . 6682 1 18 . 1 1 37 37 PRO HD3 H 1 3.86 0.02 . 1 . . . . . . . . 6682 1 19 . 1 1 37 37 PRO C C 13 177.3 0.15 . 1 . . . . . . . . 6682 1 20 . 1 1 38 38 ASN N N 15 117.2 0.15 . 1 . . . . . . . . 6682 1 21 . 1 1 38 38 ASN H H 1 8.51 0.02 . 1 . . . . . . . . 6682 1 22 . 1 1 38 38 ASN CA C 13 53.7 0.15 . 1 . . . . . . . . 6682 1 23 . 1 1 38 38 ASN HA H 1 4.73 0.02 . 1 . . . . . . . . 6682 1 24 . 1 1 38 38 ASN CB C 13 39.4 0.15 . 1 . . . . . . . . 6682 1 25 . 1 1 38 38 ASN HB2 H 1 2.89 0.02 . 2 . . . . . . . . 6682 1 26 . 1 1 38 38 ASN HB3 H 1 2.78 0.02 . 2 . . . . . . . . 6682 1 27 . 1 1 38 38 ASN ND2 N 15 114.1 0.15 . 1 . . . . . . . . 6682 1 28 . 1 1 38 38 ASN HD21 H 1 7.80 0.02 . 2 . . . . . . . . 6682 1 29 . 1 1 38 38 ASN HD22 H 1 6.96 0.02 . 2 . . . . . . . . 6682 1 30 . 1 1 38 38 ASN C C 13 175.2 0.15 . 1 . . . . . . . . 6682 1 31 . 1 1 39 39 ALA N N 15 123.9 0.15 . 1 . . . . . . . . 6682 1 32 . 1 1 39 39 ALA H H 1 7.86 0.02 . 1 . . . . . . . . 6682 1 33 . 1 1 39 39 ALA CA C 13 52.9 0.15 . 1 . . . . . . . . 6682 1 34 . 1 1 39 39 ALA HA H 1 4.30 0.02 . 1 . . . . . . . . 6682 1 35 . 1 1 39 39 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 6682 1 36 . 1 1 39 39 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 6682 1 37 . 1 1 39 39 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 6682 1 38 . 1 1 39 39 ALA CB C 13 19.6 0.15 . 1 . . . . . . . . 6682 1 39 . 1 1 39 39 ALA C C 13 177.5 0.15 . 1 . . . . . . . . 6682 1 40 . 1 1 40 40 GLU N N 15 119.4 0.15 . 1 . . . . . . . . 6682 1 41 . 1 1 40 40 GLU H H 1 8.20 0.02 . 1 . . . . . . . . 6682 1 42 . 1 1 40 40 GLU CA C 13 56.6 0.15 . 1 . . . . . . . . 6682 1 43 . 1 1 40 40 GLU HA H 1 4.29 0.02 . 1 . . . . . . . . 6682 1 44 . 1 1 40 40 GLU CB C 13 30.7 0.15 . 1 . . . . . . . . 6682 1 45 . 1 1 40 40 GLU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 6682 1 46 . 1 1 40 40 GLU HB3 H 1 1.99 0.02 . 2 . . . . . . . . 6682 1 47 . 1 1 40 40 GLU CG C 13 36.5 0.15 . 1 . . . . . . . . 6682 1 48 . 1 1 40 40 GLU HG3 H 1 2.18 0.02 . 2 . . . . . . . . 6682 1 49 . 1 1 40 40 GLU C C 13 175.8 0.15 . 1 . . . . . . . . 6682 1 50 . 1 1 41 41 PHE N N 15 121.8 0.15 . 1 . . . . . . . . 6682 1 51 . 1 1 41 41 PHE H H 1 8.10 0.02 . 1 . . . . . . . . 6682 1 52 . 1 1 41 41 PHE CA C 13 58.0 0.15 . 1 . . . . . . . . 6682 1 53 . 1 1 41 41 PHE HA H 1 4.45 0.02 . 1 . . . . . . . . 6682 1 54 . 1 1 41 41 PHE CB C 13 40.5 0.15 . 1 . . . . . . . . 6682 1 55 . 1 1 41 41 PHE HB3 H 1 3.05 0.02 . 2 . . . . . . . . 6682 1 56 . 1 1 41 41 PHE HD1 H 1 7.16 0.02 . 1 . . . . . . . . 6682 1 57 . 1 1 41 41 PHE HD2 H 1 7.16 0.02 . 1 . . . . . . . . 6682 1 58 . 1 1 41 41 PHE HE1 H 1 7.30 0.02 . 1 . . . . . . . . 6682 1 59 . 1 1 41 41 PHE HE2 H 1 7.30 0.02 . 1 . . . . . . . . 6682 1 60 . 1 1 41 41 PHE CD1 C 13 132.1 0.15 . 1 . . . . . . . . 6682 1 61 . 1 1 41 41 PHE CE1 C 13 131.8 0.15 . 1 . . . . . . . . 6682 1 62 . 1 1 41 41 PHE CZ C 13 131.0 0.15 . 1 . . . . . . . . 6682 1 63 . 1 1 41 41 PHE HZ H 1 7.29 0.02 . 1 . . . . . . . . 6682 1 64 . 1 1 41 41 PHE C C 13 174.5 0.15 . 1 . . . . . . . . 6682 1 65 . 1 1 42 42 ASP N N 15 126.9 0.15 . 1 . . . . . . . . 6682 1 66 . 1 1 42 42 ASP H H 1 8.12 0.02 . 1 . . . . . . . . 6682 1 67 . 1 1 42 42 ASP CA C 13 51.0 0.15 . 1 . . . . . . . . 6682 1 68 . 1 1 42 42 ASP HA H 1 4.88 0.02 . 1 . . . . . . . . 6682 1 69 . 1 1 42 42 ASP CB C 13 42.0 0.15 . 1 . . . . . . . . 6682 1 70 . 1 1 42 42 ASP HB2 H 1 2.61 0.02 . 2 . . . . . . . . 6682 1 71 . 1 1 42 42 ASP HB3 H 1 2.39 0.02 . 2 . . . . . . . . 6682 1 72 . 1 1 42 42 ASP C C 13 174.3 0.15 . 1 . . . . . . . . 6682 1 73 . 1 1 43 43 PRO CD C 13 51.0 0.15 . 1 . . . . . . . . 6682 1 74 . 1 1 43 43 PRO CA C 13 64.1 0.15 . 1 . . . . . . . . 6682 1 75 . 1 1 43 43 PRO HA H 1 4.27 0.02 . 1 . . . . . . . . 6682 1 76 . 1 1 43 43 PRO CB C 13 32.5 0.15 . 1 . . . . . . . . 6682 1 77 . 1 1 43 43 PRO HB2 H 1 2.35 0.02 . 2 . . . . . . . . 6682 1 78 . 1 1 43 43 PRO HB3 H 1 2.03 0.02 . 2 . . . . . . . . 6682 1 79 . 1 1 43 43 PRO CG C 13 27.4 0.15 . 1 . . . . . . . . 6682 1 80 . 1 1 43 43 PRO HG2 H 1 1.94 0.02 . 2 . . . . . . . . 6682 1 81 . 1 1 43 43 PRO HG3 H 1 2.02 0.02 . 2 . . . . . . . . 6682 1 82 . 1 1 43 43 PRO HD2 H 1 3.84 0.02 . 2 . . . . . . . . 6682 1 83 . 1 1 43 43 PRO HD3 H 1 3.68 0.02 . 2 . . . . . . . . 6682 1 84 . 1 1 43 43 PRO C C 13 176.9 0.15 . 1 . . . . . . . . 6682 1 85 . 1 1 44 44 ASP N N 15 118.5 0.15 . 1 . . . . . . . . 6682 1 86 . 1 1 44 44 ASP H H 1 8.31 0.02 . 1 . . . . . . . . 6682 1 87 . 1 1 44 44 ASP CA C 13 54.8 0.15 . 1 . . . . . . . . 6682 1 88 . 1 1 44 44 ASP HA H 1 4.63 0.02 . 1 . . . . . . . . 6682 1 89 . 1 1 44 44 ASP CB C 13 41.2 0.15 . 1 . . . . . . . . 6682 1 90 . 1 1 44 44 ASP HB2 H 1 2.74 0.02 . 2 . . . . . . . . 6682 1 91 . 1 1 44 44 ASP HB3 H 1 2.55 0.02 . 2 . . . . . . . . 6682 1 92 . 1 1 44 44 ASP C C 13 176.0 0.15 . 1 . . . . . . . . 6682 1 93 . 1 1 45 45 LEU N N 15 121.5 0.15 . 1 . . . . . . . . 6682 1 94 . 1 1 45 45 LEU H H 1 7.51 0.02 . 1 . . . . . . . . 6682 1 95 . 1 1 45 45 LEU CA C 13 52.5 0.15 . 1 . . . . . . . . 6682 1 96 . 1 1 45 45 LEU HA H 1 4.55 0.02 . 1 . . . . . . . . 6682 1 97 . 1 1 45 45 LEU CB C 13 42.8 0.15 . 1 . . . . . . . . 6682 1 98 . 1 1 45 45 LEU HB2 H 1 0.87 0.02 . 2 . . . . . . . . 6682 1 99 . 1 1 45 45 LEU HB3 H 1 1.25 0.02 . 2 . . . . . . . . 6682 1 100 . 1 1 45 45 LEU CG C 13 26.5 0.15 . 1 . . . . . . . . 6682 1 101 . 1 1 45 45 LEU HG H 1 1.31 0.02 . 1 . . . . . . . . 6682 1 102 . 1 1 45 45 LEU HD11 H 1 0.58 0.02 . 2 . . . . . . . . 6682 1 103 . 1 1 45 45 LEU HD12 H 1 0.58 0.02 . 2 . . . . . . . . 6682 1 104 . 1 1 45 45 LEU HD13 H 1 0.58 0.02 . 2 . . . . . . . . 6682 1 105 . 1 1 45 45 LEU HD21 H 1 0.64 0.02 . 2 . . . . . . . . 6682 1 106 . 1 1 45 45 LEU HD22 H 1 0.64 0.02 . 2 . . . . . . . . 6682 1 107 . 1 1 45 45 LEU HD23 H 1 0.64 0.02 . 2 . . . . . . . . 6682 1 108 . 1 1 45 45 LEU CD1 C 13 23.1 0.15 . 1 . . . . . . . . 6682 1 109 . 1 1 45 45 LEU CD2 C 13 25.7 0.15 . 1 . . . . . . . . 6682 1 110 . 1 1 45 45 LEU C C 13 174.9 0.15 . 1 . . . . . . . . 6682 1 111 . 1 1 46 46 PRO CD C 13 50.7 0.15 . 1 . . . . . . . . 6682 1 112 . 1 1 46 46 PRO CA C 13 63.8 0.15 . 1 . . . . . . . . 6682 1 113 . 1 1 46 46 PRO HA H 1 4.39 0.02 . 1 . . . . . . . . 6682 1 114 . 1 1 46 46 PRO CB C 13 32.2 0.15 . 1 . . . . . . . . 6682 1 115 . 1 1 46 46 PRO HB2 H 1 1.63 0.02 . 2 . . . . . . . . 6682 1 116 . 1 1 46 46 PRO HB3 H 1 2.24 0.02 . 2 . . . . . . . . 6682 1 117 . 1 1 46 46 PRO CG C 13 27.9 0.15 . 1 . . . . . . . . 6682 1 118 . 1 1 46 46 PRO HG3 H 1 2.04 0.02 . 2 . . . . . . . . 6682 1 119 . 1 1 46 46 PRO HD2 H 1 3.78 0.02 . 2 . . . . . . . . 6682 1 120 . 1 1 46 46 PRO HD3 H 1 3.20 0.02 . 2 . . . . . . . . 6682 1 121 . 1 1 46 46 PRO C C 13 179.3 0.15 . 1 . . . . . . . . 6682 1 122 . 1 1 47 47 GLY N N 15 114.0 0.15 . 1 . . . . . . . . 6682 1 123 . 1 1 47 47 GLY H H 1 9.31 0.02 . 1 . . . . . . . . 6682 1 124 . 1 1 47 47 GLY CA C 13 47.1 0.15 . 1 . . . . . . . . 6682 1 125 . 1 1 47 47 GLY HA2 H 1 4.08 0.02 . 2 . . . . . . . . 6682 1 126 . 1 1 47 47 GLY HA3 H 1 4.20 0.02 . 2 . . . . . . . . 6682 1 127 . 1 1 47 47 GLY C C 13 175.3 0.15 . 1 . . . . . . . . 6682 1 128 . 1 1 48 48 GLY N N 15 108.7 0.15 . 1 . . . . . . . . 6682 1 129 . 1 1 48 48 GLY H H 1 8.12 0.02 . 1 . . . . . . . . 6682 1 130 . 1 1 48 48 GLY CA C 13 45.9 0.15 . 1 . . . . . . . . 6682 1 131 . 1 1 48 48 GLY HA2 H 1 3.56 0.02 . 2 . . . . . . . . 6682 1 132 . 1 1 48 48 GLY HA3 H 1 3.83 0.02 . 2 . . . . . . . . 6682 1 133 . 1 1 48 48 GLY C C 13 175.3 0.15 . 1 . . . . . . . . 6682 1 134 . 1 1 49 49 GLY N N 15 106.9 0.15 . 1 . . . . . . . . 6682 1 135 . 1 1 49 49 GLY H H 1 7.91 0.02 . 1 . . . . . . . . 6682 1 136 . 1 1 49 49 GLY CA C 13 45.8 0.15 . 1 . . . . . . . . 6682 1 137 . 1 1 49 49 GLY HA2 H 1 3.96 0.02 . 2 . . . . . . . . 6682 1 138 . 1 1 49 49 GLY HA3 H 1 3.65 0.02 . 2 . . . . . . . . 6682 1 139 . 1 1 49 49 GLY C C 13 173.9 0.15 . 1 . . . . . . . . 6682 1 140 . 1 1 50 50 LEU N N 15 118.1 0.15 . 1 . . . . . . . . 6682 1 141 . 1 1 50 50 LEU H H 1 7.29 0.02 . 1 . . . . . . . . 6682 1 142 . 1 1 50 50 LEU CA C 13 55.9 0.15 . 1 . . . . . . . . 6682 1 143 . 1 1 50 50 LEU HA H 1 4.16 0.02 . 1 . . . . . . . . 6682 1 144 . 1 1 50 50 LEU CB C 13 42.6 0.15 . 1 . . . . . . . . 6682 1 145 . 1 1 50 50 LEU HB2 H 1 1.22 0.02 . 2 . . . . . . . . 6682 1 146 . 1 1 50 50 LEU HB3 H 1 1.31 0.02 . 2 . . . . . . . . 6682 1 147 . 1 1 50 50 LEU CG C 13 27.3 0.15 . 1 . . . . . . . . 6682 1 148 . 1 1 50 50 LEU HG H 1 1.58 0.02 . 1 . . . . . . . . 6682 1 149 . 1 1 50 50 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 6682 1 150 . 1 1 50 50 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 6682 1 151 . 1 1 50 50 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 6682 1 152 . 1 1 50 50 LEU HD21 H 1 0.80 0.02 . 2 . . . . . . . . 6682 1 153 . 1 1 50 50 LEU HD22 H 1 0.80 0.02 . 2 . . . . . . . . 6682 1 154 . 1 1 50 50 LEU HD23 H 1 0.80 0.02 . 2 . . . . . . . . 6682 1 155 . 1 1 50 50 LEU CD1 C 13 25.7 0.15 . 1 . . . . . . . . 6682 1 156 . 1 1 50 50 LEU CD2 C 13 23.1 0.15 . 1 . . . . . . . . 6682 1 157 . 1 1 50 50 LEU C C 13 176.8 0.15 . 1 . . . . . . . . 6682 1 158 . 1 1 51 51 HIS N N 15 120.0 0.15 . 1 . . . . . . . . 6682 1 159 . 1 1 51 51 HIS H H 1 8.79 0.02 . 1 . . . . . . . . 6682 1 160 . 1 1 51 51 HIS CA C 13 54.7 0.15 . 1 . . . . . . . . 6682 1 161 . 1 1 51 51 HIS HA H 1 4.89 0.02 . 1 . . . . . . . . 6682 1 162 . 1 1 51 51 HIS CB C 13 30.1 0.15 . 1 . . . . . . . . 6682 1 163 . 1 1 51 51 HIS HB2 H 1 3.29 0.02 . 2 . . . . . . . . 6682 1 164 . 1 1 51 51 HIS HB3 H 1 2.70 0.02 . 2 . . . . . . . . 6682 1 165 . 1 1 51 51 HIS CD2 C 13 120.3 0.15 . 1 . . . . . . . . 6682 1 166 . 1 1 51 51 HIS CE1 C 13 138.5 0.15 . 1 . . . . . . . . 6682 1 167 . 1 1 51 51 HIS HD2 H 1 6.94 0.02 . 1 . . . . . . . . 6682 1 168 . 1 1 51 51 HIS HE1 H 1 8.06 0.02 . 1 . . . . . . . . 6682 1 169 . 1 1 51 51 HIS C C 13 173.4 0.15 . 1 . . . . . . . . 6682 1 170 . 1 1 52 52 ARG N N 15 123.4 0.15 . 1 . . . . . . . . 6682 1 171 . 1 1 52 52 ARG H H 1 8.68 0.02 . 1 . . . . . . . . 6682 1 172 . 1 1 52 52 ARG CA C 13 54.7 0.15 . 1 . . . . . . . . 6682 1 173 . 1 1 52 52 ARG HA H 1 5.04 0.02 . 1 . . . . . . . . 6682 1 174 . 1 1 52 52 ARG CB C 13 34.6 0.15 . 1 . . . . . . . . 6682 1 175 . 1 1 52 52 ARG HB2 H 1 1.61 0.02 . 2 . . . . . . . . 6682 1 176 . 1 1 52 52 ARG HB3 H 1 1.44 0.02 . 2 . . . . . . . . 6682 1 177 . 1 1 52 52 ARG CG C 13 26.4 0.15 . 1 . . . . . . . . 6682 1 178 . 1 1 52 52 ARG HG2 H 1 1.26 0.02 . 2 . . . . . . . . 6682 1 179 . 1 1 52 52 ARG HG3 H 1 1.14 0.02 . 2 . . . . . . . . 6682 1 180 . 1 1 52 52 ARG CD C 13 43.9 0.15 . 1 . . . . . . . . 6682 1 181 . 1 1 52 52 ARG HD2 H 1 2.97 0.02 . 2 . . . . . . . . 6682 1 182 . 1 1 52 52 ARG HD3 H 1 3.00 0.02 . 2 . . . . . . . . 6682 1 183 . 1 1 52 52 ARG C C 13 174.4 0.15 . 1 . . . . . . . . 6682 1 184 . 1 1 53 53 CYS N N 15 123.6 0.15 . 1 . . . . . . . . 6682 1 185 . 1 1 53 53 CYS H H 1 8.71 0.02 . 1 . . . . . . . . 6682 1 186 . 1 1 53 53 CYS CA C 13 58.6 0.15 . 1 . . . . . . . . 6682 1 187 . 1 1 53 53 CYS HA H 1 4.99 0.02 . 1 . . . . . . . . 6682 1 188 . 1 1 53 53 CYS CB C 13 31.5 0.15 . 1 . . . . . . . . 6682 1 189 . 1 1 53 53 CYS HB2 H 1 2.93 0.02 . 2 . . . . . . . . 6682 1 190 . 1 1 53 53 CYS HB3 H 1 2.77 0.02 . 2 . . . . . . . . 6682 1 191 . 1 1 53 53 CYS C C 13 177.0 0.15 . 1 . . . . . . . . 6682 1 192 . 1 1 54 54 LEU N N 15 130.4 0.15 . 1 . . . . . . . . 6682 1 193 . 1 1 54 54 LEU H H 1 9.31 0.02 . 1 . . . . . . . . 6682 1 194 . 1 1 54 54 LEU CA C 13 58.0 0.15 . 1 . . . . . . . . 6682 1 195 . 1 1 54 54 LEU HA H 1 4.13 0.02 . 1 . . . . . . . . 6682 1 196 . 1 1 54 54 LEU CB C 13 41.8 0.15 . 1 . . . . . . . . 6682 1 197 . 1 1 54 54 LEU HB2 H 1 1.67 0.02 . 2 . . . . . . . . 6682 1 198 . 1 1 54 54 LEU HB3 H 1 1.86 0.02 . 2 . . . . . . . . 6682 1 199 . 1 1 54 54 LEU CG C 13 27.9 0.15 . 1 . . . . . . . . 6682 1 200 . 1 1 54 54 LEU HG H 1 1.74 0.02 . 1 . . . . . . . . 6682 1 201 . 1 1 54 54 LEU HD11 H 1 0.98 0.02 . 2 . . . . . . . . 6682 1 202 . 1 1 54 54 LEU HD12 H 1 0.98 0.02 . 2 . . . . . . . . 6682 1 203 . 1 1 54 54 LEU HD13 H 1 0.98 0.02 . 2 . . . . . . . . 6682 1 204 . 1 1 54 54 LEU HD21 H 1 0.88 0.02 . 2 . . . . . . . . 6682 1 205 . 1 1 54 54 LEU HD22 H 1 0.88 0.02 . 2 . . . . . . . . 6682 1 206 . 1 1 54 54 LEU HD23 H 1 0.88 0.02 . 2 . . . . . . . . 6682 1 207 . 1 1 54 54 LEU CD1 C 13 25.3 0.15 . 1 . . . . . . . . 6682 1 208 . 1 1 54 54 LEU CD2 C 13 23.4 0.15 . 1 . . . . . . . . 6682 1 209 . 1 1 54 54 LEU C C 13 179.2 0.15 . 1 . . . . . . . . 6682 1 210 . 1 1 55 55 ALA N N 15 123.9 0.15 . 1 . . . . . . . . 6682 1 211 . 1 1 55 55 ALA H H 1 8.37 0.02 . 1 . . . . . . . . 6682 1 212 . 1 1 55 55 ALA CA C 13 55.8 0.15 . 1 . . . . . . . . 6682 1 213 . 1 1 55 55 ALA HA H 1 4.14 0.02 . 1 . . . . . . . . 6682 1 214 . 1 1 55 55 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 6682 1 215 . 1 1 55 55 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 6682 1 216 . 1 1 55 55 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 6682 1 217 . 1 1 55 55 ALA CB C 13 19.3 0.15 . 1 . . . . . . . . 6682 1 218 . 1 1 55 55 ALA C C 13 179.6 0.15 . 1 . . . . . . . . 6682 1 219 . 1 1 56 56 CYS N N 15 118.0 0.15 . 1 . . . . . . . . 6682 1 220 . 1 1 56 56 CYS H H 1 8.94 0.02 . 1 . . . . . . . . 6682 1 221 . 1 1 56 56 CYS CA C 13 60.5 0.15 . 1 . . . . . . . . 6682 1 222 . 1 1 56 56 CYS HA H 1 4.20 0.02 . 1 . . . . . . . . 6682 1 223 . 1 1 56 56 CYS CB C 13 31.1 0.15 . 1 . . . . . . . . 6682 1 224 . 1 1 56 56 CYS HB2 H 1 2.64 0.02 . 2 . . . . . . . . 6682 1 225 . 1 1 56 56 CYS HB3 H 1 3.25 0.02 . 2 . . . . . . . . 6682 1 226 . 1 1 56 56 CYS C C 13 174.6 0.15 . 1 . . . . . . . . 6682 1 227 . 1 1 57 57 ALA N N 15 122.9 0.15 . 1 . . . . . . . . 6682 1 228 . 1 1 57 57 ALA H H 1 7.96 0.02 . 1 . . . . . . . . 6682 1 229 . 1 1 57 57 ALA CA C 13 52.9 0.15 . 1 . . . . . . . . 6682 1 230 . 1 1 57 57 ALA HA H 1 3.90 0.02 . 1 . . . . . . . . 6682 1 231 . 1 1 57 57 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 6682 1 232 . 1 1 57 57 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 6682 1 233 . 1 1 57 57 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 6682 1 234 . 1 1 57 57 ALA CB C 13 16.5 0.15 . 1 . . . . . . . . 6682 1 235 . 1 1 57 57 ALA C C 13 175.7 0.15 . 1 . . . . . . . . 6682 1 236 . 1 1 58 58 ARG N N 15 115.1 0.15 . 1 . . . . . . . . 6682 1 237 . 1 1 58 58 ARG H H 1 7.26 0.02 . 1 . . . . . . . . 6682 1 238 . 1 1 58 58 ARG CA C 13 54.1 0.15 . 1 . . . . . . . . 6682 1 239 . 1 1 58 58 ARG HA H 1 4.52 0.02 . 1 . . . . . . . . 6682 1 240 . 1 1 58 58 ARG CB C 13 36.2 0.15 . 1 . . . . . . . . 6682 1 241 . 1 1 58 58 ARG HB2 H 1 0.96 0.02 . 2 . . . . . . . . 6682 1 242 . 1 1 58 58 ARG HB3 H 1 1.33 0.02 . 2 . . . . . . . . 6682 1 243 . 1 1 58 58 ARG CG C 13 26.7 0.15 . 1 . . . . . . . . 6682 1 244 . 1 1 58 58 ARG HG2 H 1 1.52 0.02 . 2 . . . . . . . . 6682 1 245 . 1 1 58 58 ARG HG3 H 1 1.36 0.02 . 2 . . . . . . . . 6682 1 246 . 1 1 58 58 ARG CD C 13 43.7 0.15 . 1 . . . . . . . . 6682 1 247 . 1 1 58 58 ARG HD2 H 1 2.95 0.02 . 2 . . . . . . . . 6682 1 248 . 1 1 58 58 ARG HD3 H 1 3.18 0.02 . 2 . . . . . . . . 6682 1 249 . 1 1 58 58 ARG C C 13 174.0 0.15 . 1 . . . . . . . . 6682 1 250 . 1 1 59 59 TYR N N 15 120.4 0.15 . 1 . . . . . . . . 6682 1 251 . 1 1 59 59 TYR H H 1 8.34 0.02 . 1 . . . . . . . . 6682 1 252 . 1 1 59 59 TYR CA C 13 57.7 0.15 . 1 . . . . . . . . 6682 1 253 . 1 1 59 59 TYR HA H 1 4.72 0.02 . 1 . . . . . . . . 6682 1 254 . 1 1 59 59 TYR CB C 13 41.1 0.15 . 1 . . . . . . . . 6682 1 255 . 1 1 59 59 TYR HB2 H 1 2.96 0.02 . 2 . . . . . . . . 6682 1 256 . 1 1 59 59 TYR HB3 H 1 2.57 0.02 . 2 . . . . . . . . 6682 1 257 . 1 1 59 59 TYR HD1 H 1 7.03 0.02 . 1 . . . . . . . . 6682 1 258 . 1 1 59 59 TYR HD2 H 1 7.03 0.02 . 1 . . . . . . . . 6682 1 259 . 1 1 59 59 TYR HE1 H 1 6.70 0.02 . 1 . . . . . . . . 6682 1 260 . 1 1 59 59 TYR HE2 H 1 6.70 0.02 . 1 . . . . . . . . 6682 1 261 . 1 1 59 59 TYR CD1 C 13 133.3 0.15 . 1 . . . . . . . . 6682 1 262 . 1 1 59 59 TYR CE1 C 13 118.3 0.15 . 1 . . . . . . . . 6682 1 263 . 1 1 59 59 TYR C C 13 174.6 0.15 . 1 . . . . . . . . 6682 1 264 . 1 1 60 60 PHE N N 15 118.0 0.15 . 1 . . . . . . . . 6682 1 265 . 1 1 60 60 PHE H H 1 8.52 0.02 . 1 . . . . . . . . 6682 1 266 . 1 1 60 60 PHE CA C 13 56.9 0.15 . 1 . . . . . . . . 6682 1 267 . 1 1 60 60 PHE HA H 1 4.72 0.02 . 1 . . . . . . . . 6682 1 268 . 1 1 60 60 PHE CB C 13 43.2 0.15 . 1 . . . . . . . . 6682 1 269 . 1 1 60 60 PHE HB2 H 1 2.56 0.02 . 2 . . . . . . . . 6682 1 270 . 1 1 60 60 PHE HB3 H 1 3.09 0.02 . 2 . . . . . . . . 6682 1 271 . 1 1 60 60 PHE HD1 H 1 7.08 0.02 . 1 . . . . . . . . 6682 1 272 . 1 1 60 60 PHE HD2 H 1 7.08 0.02 . 1 . . . . . . . . 6682 1 273 . 1 1 60 60 PHE HE1 H 1 6.73 0.02 . 1 . . . . . . . . 6682 1 274 . 1 1 60 60 PHE HE2 H 1 6.73 0.02 . 1 . . . . . . . . 6682 1 275 . 1 1 60 60 PHE CD1 C 13 132.3 0.15 . 1 . . . . . . . . 6682 1 276 . 1 1 60 60 PHE CE1 C 13 130.6 0.15 . 1 . . . . . . . . 6682 1 277 . 1 1 60 60 PHE CZ C 13 128.4 0.15 . 1 . . . . . . . . 6682 1 278 . 1 1 60 60 PHE HZ H 1 5.89 0.02 . 1 . . . . . . . . 6682 1 279 . 1 1 60 60 PHE C C 13 176.1 0.15 . 1 . . . . . . . . 6682 1 280 . 1 1 61 61 ILE N N 15 117.1 0.15 . 1 . . . . . . . . 6682 1 281 . 1 1 61 61 ILE H H 1 8.80 0.02 . 1 . . . . . . . . 6682 1 282 . 1 1 61 61 ILE CA C 13 64.0 0.15 . 1 . . . . . . . . 6682 1 283 . 1 1 61 61 ILE HA H 1 3.96 0.02 . 1 . . . . . . . . 6682 1 284 . 1 1 61 61 ILE CB C 13 39.4 0.15 . 1 . . . . . . . . 6682 1 285 . 1 1 61 61 ILE HB H 1 1.99 0.02 . 1 . . . . . . . . 6682 1 286 . 1 1 61 61 ILE HG21 H 1 1.03 0.02 . 1 . . . . . . . . 6682 1 287 . 1 1 61 61 ILE HG22 H 1 1.03 0.02 . 1 . . . . . . . . 6682 1 288 . 1 1 61 61 ILE HG23 H 1 1.03 0.02 . 1 . . . . . . . . 6682 1 289 . 1 1 61 61 ILE CG2 C 13 18.3 0.15 . 1 . . . . . . . . 6682 1 290 . 1 1 61 61 ILE CG1 C 13 27.6 0.15 . 1 . . . . . . . . 6682 1 291 . 1 1 61 61 ILE HG12 H 1 1.49 0.02 . 2 . . . . . . . . 6682 1 292 . 1 1 61 61 ILE HG13 H 1 1.32 0.02 . 2 . . . . . . . . 6682 1 293 . 1 1 61 61 ILE HD11 H 1 0.94 0.02 . 1 . . . . . . . . 6682 1 294 . 1 1 61 61 ILE HD12 H 1 0.94 0.02 . 1 . . . . . . . . 6682 1 295 . 1 1 61 61 ILE HD13 H 1 0.94 0.02 . 1 . . . . . . . . 6682 1 296 . 1 1 61 61 ILE CD1 C 13 14.1 0.15 . 1 . . . . . . . . 6682 1 297 . 1 1 61 61 ILE C C 13 174.5 0.15 . 1 . . . . . . . . 6682 1 298 . 1 1 62 62 ASP N N 15 115.0 0.15 . 1 . . . . . . . . 6682 1 299 . 1 1 62 62 ASP H H 1 7.39 0.02 . 1 . . . . . . . . 6682 1 300 . 1 1 62 62 ASP CA C 13 52.6 0.15 . 1 . . . . . . . . 6682 1 301 . 1 1 62 62 ASP HA H 1 4.09 0.02 . 1 . . . . . . . . 6682 1 302 . 1 1 62 62 ASP CB C 13 42.8 0.15 . 1 . . . . . . . . 6682 1 303 . 1 1 62 62 ASP HB3 H 1 2.93 0.02 . 2 . . . . . . . . 6682 1 304 . 1 1 62 62 ASP C C 13 175.3 0.15 . 1 . . . . . . . . 6682 1 305 . 1 1 63 63 SER N N 15 113.7 0.15 . 1 . . . . . . . . 6682 1 306 . 1 1 63 63 SER H H 1 8.33 0.02 . 1 . . . . . . . . 6682 1 307 . 1 1 63 63 SER CA C 13 61.1 0.15 . 1 . . . . . . . . 6682 1 308 . 1 1 63 63 SER HA H 1 3.81 0.02 . 1 . . . . . . . . 6682 1 309 . 1 1 63 63 SER CB C 13 63.3 0.15 . 1 . . . . . . . . 6682 1 310 . 1 1 63 63 SER HB2 H 1 3.91 0.02 . 2 . . . . . . . . 6682 1 311 . 1 1 63 63 SER HB3 H 1 3.78 0.02 . 2 . . . . . . . . 6682 1 312 . 1 1 63 63 SER HG H 1 2.97 0.02 . 1 . . . . . . . . 6682 1 313 . 1 1 64 64 THR N N 15 120.2 0.15 . 1 . . . . . . . . 6682 1 314 . 1 1 64 64 THR H H 1 7.90 0.02 . 1 . . . . . . . . 6682 1 315 . 1 1 64 64 THR CA C 13 66.7 0.15 . 1 . . . . . . . . 6682 1 316 . 1 1 64 64 THR HA H 1 3.85 0.02 . 1 . . . . . . . . 6682 1 317 . 1 1 64 64 THR CB C 13 68.6 0.15 . 1 . . . . . . . . 6682 1 318 . 1 1 64 64 THR HB H 1 4.13 0.02 . 1 . . . . . . . . 6682 1 319 . 1 1 64 64 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . 6682 1 320 . 1 1 64 64 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . 6682 1 321 . 1 1 64 64 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . 6682 1 322 . 1 1 64 64 THR CG2 C 13 19.7 0.15 . 1 . . . . . . . . 6682 1 323 . 1 1 64 64 THR C C 13 176.5 0.15 . 1 . . . . . . . . 6682 1 324 . 1 1 65 65 ASN N N 15 121.2 0.15 . 1 . . . . . . . . 6682 1 325 . 1 1 65 65 ASN H H 1 8.78 0.02 . 1 . . . . . . . . 6682 1 326 . 1 1 65 65 ASN CA C 13 56.9 0.15 . 1 . . . . . . . . 6682 1 327 . 1 1 65 65 ASN HA H 1 4.35 0.02 . 1 . . . . . . . . 6682 1 328 . 1 1 65 65 ASN CB C 13 39.5 0.15 . 1 . . . . . . . . 6682 1 329 . 1 1 65 65 ASN HB2 H 1 2.73 0.02 . 2 . . . . . . . . 6682 1 330 . 1 1 65 65 ASN HB3 H 1 2.88 0.02 . 2 . . . . . . . . 6682 1 331 . 1 1 65 65 ASN ND2 N 15 115.9 0.15 . 1 . . . . . . . . 6682 1 332 . 1 1 65 65 ASN HD21 H 1 8.69 0.02 . 2 . . . . . . . . 6682 1 333 . 1 1 65 65 ASN HD22 H 1 7.14 0.02 . 2 . . . . . . . . 6682 1 334 . 1 1 65 65 ASN C C 13 177.7 0.15 . 1 . . . . . . . . 6682 1 335 . 1 1 66 66 LEU N N 15 122.5 0.15 . 1 . . . . . . . . 6682 1 336 . 1 1 66 66 LEU H H 1 7.24 0.02 . 1 . . . . . . . . 6682 1 337 . 1 1 66 66 LEU CA C 13 58.0 0.15 . 1 . . . . . . . . 6682 1 338 . 1 1 66 66 LEU HA H 1 2.86 0.02 . 1 . . . . . . . . 6682 1 339 . 1 1 66 66 LEU CB C 13 41.8 0.15 . 1 . . . . . . . . 6682 1 340 . 1 1 66 66 LEU HB2 H 1 1.02 0.02 . 2 . . . . . . . . 6682 1 341 . 1 1 66 66 LEU HB3 H 1 1.86 0.02 . 2 . . . . . . . . 6682 1 342 . 1 1 66 66 LEU CG C 13 26.7 0.15 . 1 . . . . . . . . 6682 1 343 . 1 1 66 66 LEU HG H 1 0.93 0.02 . 1 . . . . . . . . 6682 1 344 . 1 1 66 66 LEU HD11 H 1 0.28 0.02 . 2 . . . . . . . . 6682 1 345 . 1 1 66 66 LEU HD12 H 1 0.28 0.02 . 2 . . . . . . . . 6682 1 346 . 1 1 66 66 LEU HD13 H 1 0.28 0.02 . 2 . . . . . . . . 6682 1 347 . 1 1 66 66 LEU HD21 H 1 0.76 0.02 . 2 . . . . . . . . 6682 1 348 . 1 1 66 66 LEU HD22 H 1 0.76 0.02 . 2 . . . . . . . . 6682 1 349 . 1 1 66 66 LEU HD23 H 1 0.76 0.02 . 2 . . . . . . . . 6682 1 350 . 1 1 66 66 LEU CD1 C 13 24.4 0.15 . 1 . . . . . . . . 6682 1 351 . 1 1 66 66 LEU CD2 C 13 26.6 0.15 . 1 . . . . . . . . 6682 1 352 . 1 1 66 66 LEU C C 13 176.4 0.15 . 1 . . . . . . . . 6682 1 353 . 1 1 67 67 LYS N N 15 118.5 0.15 . 1 . . . . . . . . 6682 1 354 . 1 1 67 67 LYS H H 1 7.99 0.02 . 1 . . . . . . . . 6682 1 355 . 1 1 67 67 LYS CA C 13 60.6 0.15 . 1 . . . . . . . . 6682 1 356 . 1 1 67 67 LYS HA H 1 3.79 0.02 . 1 . . . . . . . . 6682 1 357 . 1 1 67 67 LYS CB C 13 32.2 0.15 . 1 . . . . . . . . 6682 1 358 . 1 1 67 67 LYS HB3 H 1 1.89 0.02 . 2 . . . . . . . . 6682 1 359 . 1 1 67 67 LYS CG C 13 26.1 0.15 . 1 . . . . . . . . 6682 1 360 . 1 1 67 67 LYS HG2 H 1 1.63 0.02 . 2 . . . . . . . . 6682 1 361 . 1 1 67 67 LYS HG3 H 1 1.47 0.02 . 2 . . . . . . . . 6682 1 362 . 1 1 67 67 LYS CD C 13 29.4 0.15 . 1 . . . . . . . . 6682 1 363 . 1 1 67 67 LYS HD3 H 1 1.70 0.02 . 2 . . . . . . . . 6682 1 364 . 1 1 67 67 LYS CE C 13 42.4 0.15 . 1 . . . . . . . . 6682 1 365 . 1 1 67 67 LYS HE3 H 1 2.98 0.02 . 2 . . . . . . . . 6682 1 366 . 1 1 67 67 LYS C C 13 180.3 0.15 . 1 . . . . . . . . 6682 1 367 . 1 1 68 68 THR N N 15 116.1 0.15 . 1 . . . . . . . . 6682 1 368 . 1 1 68 68 THR H H 1 8.12 0.02 . 1 . . . . . . . . 6682 1 369 . 1 1 68 68 THR CA C 13 66.6 0.15 . 1 . . . . . . . . 6682 1 370 . 1 1 68 68 THR HA H 1 3.81 0.02 . 1 . . . . . . . . 6682 1 371 . 1 1 68 68 THR CB C 13 68.8 0.15 . 1 . . . . . . . . 6682 1 372 . 1 1 68 68 THR HB H 1 4.13 0.02 . 1 . . . . . . . . 6682 1 373 . 1 1 68 68 THR HG21 H 1 1.22 0.02 . 1 . . . . . . . . 6682 1 374 . 1 1 68 68 THR HG22 H 1 1.22 0.02 . 1 . . . . . . . . 6682 1 375 . 1 1 68 68 THR HG23 H 1 1.22 0.02 . 1 . . . . . . . . 6682 1 376 . 1 1 68 68 THR CG2 C 13 22.3 0.15 . 1 . . . . . . . . 6682 1 377 . 1 1 68 68 THR C C 13 177.4 0.15 . 1 . . . . . . . . 6682 1 378 . 1 1 69 69 HIS N N 15 122.8 0.15 . 1 . . . . . . . . 6682 1 379 . 1 1 69 69 HIS H H 1 7.58 0.02 . 1 . . . . . . . . 6682 1 380 . 1 1 69 69 HIS CA C 13 60.1 0.15 . 1 . . . . . . . . 6682 1 381 . 1 1 69 69 HIS HA H 1 4.25 0.02 . 1 . . . . . . . . 6682 1 382 . 1 1 69 69 HIS CB C 13 27.5 0.15 . 1 . . . . . . . . 6682 1 383 . 1 1 69 69 HIS HB2 H 1 2.56 0.02 . 2 . . . . . . . . 6682 1 384 . 1 1 69 69 HIS HB3 H 1 2.96 0.02 . 2 . . . . . . . . 6682 1 385 . 1 1 69 69 HIS CD2 C 13 128.1 0.15 . 1 . . . . . . . . 6682 1 386 . 1 1 69 69 HIS CE1 C 13 140.0 0.15 . 1 . . . . . . . . 6682 1 387 . 1 1 69 69 HIS HD2 H 1 6.20 0.02 . 1 . . . . . . . . 6682 1 388 . 1 1 69 69 HIS HE1 H 1 8.35 0.02 . 1 . . . . . . . . 6682 1 389 . 1 1 69 69 HIS C C 13 178.7 0.15 . 1 . . . . . . . . 6682 1 390 . 1 1 70 70 PHE N N 15 120.2 0.15 . 1 . . . . . . . . 6682 1 391 . 1 1 70 70 PHE H H 1 7.91 0.02 . 1 . . . . . . . . 6682 1 392 . 1 1 70 70 PHE CA C 13 56.9 0.15 . 1 . . . . . . . . 6682 1 393 . 1 1 70 70 PHE HA H 1 3.80 0.02 . 1 . . . . . . . . 6682 1 394 . 1 1 70 70 PHE CB C 13 37.2 0.15 . 1 . . . . . . . . 6682 1 395 . 1 1 70 70 PHE HB3 H 1 3.11 0.02 . 2 . . . . . . . . 6682 1 396 . 1 1 70 70 PHE HD1 H 1 6.53 0.02 . 1 . . . . . . . . 6682 1 397 . 1 1 70 70 PHE HD2 H 1 6.53 0.02 . 1 . . . . . . . . 6682 1 398 . 1 1 70 70 PHE HE1 H 1 7.57 0.02 . 1 . . . . . . . . 6682 1 399 . 1 1 70 70 PHE HE2 H 1 7.57 0.02 . 1 . . . . . . . . 6682 1 400 . 1 1 70 70 PHE CD1 C 13 129.6 0.15 . 1 . . . . . . . . 6682 1 401 . 1 1 70 70 PHE CE1 C 13 131.7 0.15 . 1 . . . . . . . . 6682 1 402 . 1 1 70 70 PHE CZ C 13 130.3 0.15 . 1 . . . . . . . . 6682 1 403 . 1 1 70 70 PHE HZ H 1 7.47 0.02 . 1 . . . . . . . . 6682 1 404 . 1 1 70 70 PHE C C 13 176.4 0.15 . 1 . . . . . . . . 6682 1 405 . 1 1 71 71 ARG N N 15 115.5 0.15 . 1 . . . . . . . . 6682 1 406 . 1 1 71 71 ARG H H 1 7.20 0.02 . 1 . . . . . . . . 6682 1 407 . 1 1 71 71 ARG CA C 13 56.4 0.15 . 1 . . . . . . . . 6682 1 408 . 1 1 71 71 ARG HA H 1 4.42 0.02 . 1 . . . . . . . . 6682 1 409 . 1 1 71 71 ARG CB C 13 30.8 0.15 . 1 . . . . . . . . 6682 1 410 . 1 1 71 71 ARG HB2 H 1 2.09 0.02 . 2 . . . . . . . . 6682 1 411 . 1 1 71 71 ARG HB3 H 1 1.86 0.02 . 2 . . . . . . . . 6682 1 412 . 1 1 71 71 ARG CG C 13 27.7 0.15 . 1 . . . . . . . . 6682 1 413 . 1 1 71 71 ARG HG2 H 1 1.69 0.02 . 2 . . . . . . . . 6682 1 414 . 1 1 71 71 ARG HG3 H 1 1.84 0.02 . 2 . . . . . . . . 6682 1 415 . 1 1 71 71 ARG CD C 13 43.7 0.15 . 1 . . . . . . . . 6682 1 416 . 1 1 71 71 ARG HD3 H 1 3.24 0.02 . 2 . . . . . . . . 6682 1 417 . 1 1 71 71 ARG C C 13 176.5 0.15 . 1 . . . . . . . . 6682 1 418 . 1 1 72 72 SER N N 15 117.2 0.15 . 1 . . . . . . . . 6682 1 419 . 1 1 72 72 SER H H 1 7.83 0.02 . 1 . . . . . . . . 6682 1 420 . 1 1 72 72 SER CA C 13 58.9 0.15 . 1 . . . . . . . . 6682 1 421 . 1 1 72 72 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 6682 1 422 . 1 1 72 72 SER CB C 13 66.3 0.15 . 1 . . . . . . . . 6682 1 423 . 1 1 72 72 SER HB2 H 1 4.23 0.02 . 2 . . . . . . . . 6682 1 424 . 1 1 72 72 SER HB3 H 1 4.22 0.02 . 2 . . . . . . . . 6682 1 425 . 1 1 72 72 SER C C 13 175.1 0.15 . 1 . . . . . . . . 6682 1 426 . 1 1 73 73 LYS N N 15 123.2 0.15 . 1 . . . . . . . . 6682 1 427 . 1 1 73 73 LYS H H 1 8.99 0.02 . 1 . . . . . . . . 6682 1 428 . 1 1 73 73 LYS CA C 13 59.9 0.15 . 1 . . . . . . . . 6682 1 429 . 1 1 73 73 LYS HA H 1 4.03 0.02 . 1 . . . . . . . . 6682 1 430 . 1 1 73 73 LYS CB C 13 32.5 0.15 . 1 . . . . . . . . 6682 1 431 . 1 1 73 73 LYS HB2 H 1 1.95 0.02 . 2 . . . . . . . . 6682 1 432 . 1 1 73 73 LYS HB3 H 1 1.91 0.02 . 2 . . . . . . . . 6682 1 433 . 1 1 73 73 LYS CG C 13 25.4 0.15 . 1 . . . . . . . . 6682 1 434 . 1 1 73 73 LYS HG3 H 1 1.67 0.02 . 2 . . . . . . . . 6682 1 435 . 1 1 73 73 LYS CD C 13 29.6 0.15 . 1 . . . . . . . . 6682 1 436 . 1 1 73 73 LYS HD3 H 1 1.77 0.02 . 2 . . . . . . . . 6682 1 437 . 1 1 73 73 LYS CE C 13 40.6 0.15 . 1 . . . . . . . . 6682 1 438 . 1 1 73 73 LYS HE3 H 1 3.07 0.02 . 2 . . . . . . . . 6682 1 439 . 1 1 73 73 LYS C C 13 179.3 0.15 . 1 . . . . . . . . 6682 1 440 . 1 1 74 74 ASP N N 15 118.1 0.15 . 1 . . . . . . . . 6682 1 441 . 1 1 74 74 ASP H H 1 8.50 0.02 . 1 . . . . . . . . 6682 1 442 . 1 1 74 74 ASP CA C 13 57.3 0.15 . 1 . . . . . . . . 6682 1 443 . 1 1 74 74 ASP HA H 1 4.39 0.02 . 1 . . . . . . . . 6682 1 444 . 1 1 74 74 ASP CB C 13 40.6 0.15 . 1 . . . . . . . . 6682 1 445 . 1 1 74 74 ASP HB2 H 1 2.76 0.02 . 2 . . . . . . . . 6682 1 446 . 1 1 74 74 ASP HB3 H 1 2.90 0.02 . 2 . . . . . . . . 6682 1 447 . 1 1 74 74 ASP C C 13 178.6 0.15 . 1 . . . . . . . . 6682 1 448 . 1 1 75 75 HIS N N 15 119.4 0.15 . 1 . . . . . . . . 6682 1 449 . 1 1 75 75 HIS H H 1 7.52 0.02 . 1 . . . . . . . . 6682 1 450 . 1 1 75 75 HIS CA C 13 60.0 0.15 . 1 . . . . . . . . 6682 1 451 . 1 1 75 75 HIS HA H 1 4.11 0.02 . 1 . . . . . . . . 6682 1 452 . 1 1 75 75 HIS CB C 13 30.7 0.15 . 1 . . . . . . . . 6682 1 453 . 1 1 75 75 HIS HB2 H 1 2.97 0.02 . 2 . . . . . . . . 6682 1 454 . 1 1 75 75 HIS HB3 H 1 1.89 0.02 . 2 . . . . . . . . 6682 1 455 . 1 1 75 75 HIS CD2 C 13 120.2 0.15 . 1 . . . . . . . . 6682 1 456 . 1 1 75 75 HIS CE1 C 13 141.7 0.15 . 1 . . . . . . . . 6682 1 457 . 1 1 75 75 HIS HD2 H 1 7.11 0.02 . 1 . . . . . . . . 6682 1 458 . 1 1 75 75 HIS HE1 H 1 8.29 0.02 . 1 . . . . . . . . 6682 1 459 . 1 1 75 75 HIS C C 13 176.3 0.15 . 1 . . . . . . . . 6682 1 460 . 1 1 76 76 LYS N N 15 117.4 0.15 . 1 . . . . . . . . 6682 1 461 . 1 1 76 76 LYS H H 1 7.64 0.02 . 1 . . . . . . . . 6682 1 462 . 1 1 76 76 LYS CA C 13 60.4 0.15 . 1 . . . . . . . . 6682 1 463 . 1 1 76 76 LYS HA H 1 3.73 0.02 . 1 . . . . . . . . 6682 1 464 . 1 1 76 76 LYS CB C 13 32.4 0.15 . 1 . . . . . . . . 6682 1 465 . 1 1 76 76 LYS HB3 H 1 1.90 0.02 . 2 . . . . . . . . 6682 1 466 . 1 1 76 76 LYS CG C 13 25.9 0.15 . 1 . . . . . . . . 6682 1 467 . 1 1 76 76 LYS HG2 H 1 1.50 0.02 . 2 . . . . . . . . 6682 1 468 . 1 1 76 76 LYS HG3 H 1 1.68 0.02 . 2 . . . . . . . . 6682 1 469 . 1 1 76 76 LYS CD C 13 29.7 0.15 . 1 . . . . . . . . 6682 1 470 . 1 1 76 76 LYS HD2 H 1 1.63 0.02 . 2 . . . . . . . . 6682 1 471 . 1 1 76 76 LYS HD3 H 1 1.69 0.02 . 2 . . . . . . . . 6682 1 472 . 1 1 76 76 LYS CE C 13 42.4 0.15 . 1 . . . . . . . . 6682 1 473 . 1 1 76 76 LYS HE3 H 1 2.97 0.02 . 2 . . . . . . . . 6682 1 474 . 1 1 76 76 LYS C C 13 179.5 0.15 . 1 . . . . . . . . 6682 1 475 . 1 1 77 77 LYS N N 15 119.4 0.15 . 1 . . . . . . . . 6682 1 476 . 1 1 77 77 LYS H H 1 8.30 0.02 . 1 . . . . . . . . 6682 1 477 . 1 1 77 77 LYS CA C 13 59.3 0.15 . 1 . . . . . . . . 6682 1 478 . 1 1 77 77 LYS HA H 1 4.03 0.02 . 1 . . . . . . . . 6682 1 479 . 1 1 77 77 LYS CB C 13 32.1 0.15 . 1 . . . . . . . . 6682 1 480 . 1 1 77 77 LYS HB3 H 1 1.91 0.02 . 2 . . . . . . . . 6682 1 481 . 1 1 77 77 LYS CG C 13 25.3 0.15 . 1 . . . . . . . . 6682 1 482 . 1 1 77 77 LYS HG2 H 1 1.42 0.02 . 2 . . . . . . . . 6682 1 483 . 1 1 77 77 LYS HG3 H 1 1.57 0.02 . 2 . . . . . . . . 6682 1 484 . 1 1 77 77 LYS CD C 13 29.6 0.15 . 1 . . . . . . . . 6682 1 485 . 1 1 77 77 LYS HD3 H 1 1.72 0.02 . 2 . . . . . . . . 6682 1 486 . 1 1 77 77 LYS C C 13 178.8 0.15 . 1 . . . . . . . . 6682 1 487 . 1 1 78 78 ARG N N 15 121.3 0.15 . 1 . . . . . . . . 6682 1 488 . 1 1 78 78 ARG H H 1 7.53 0.02 . 1 . . . . . . . . 6682 1 489 . 1 1 78 78 ARG CA C 13 57.4 0.15 . 1 . . . . . . . . 6682 1 490 . 1 1 78 78 ARG HA H 1 4.12 0.02 . 1 . . . . . . . . 6682 1 491 . 1 1 78 78 ARG CB C 13 29.5 0.15 . 1 . . . . . . . . 6682 1 492 . 1 1 78 78 ARG HB2 H 1 1.89 0.02 . 2 . . . . . . . . 6682 1 493 . 1 1 78 78 ARG HB3 H 1 1.96 0.02 . 2 . . . . . . . . 6682 1 494 . 1 1 78 78 ARG CG C 13 27.0 0.15 . 1 . . . . . . . . 6682 1 495 . 1 1 78 78 ARG HG2 H 1 1.43 0.02 . 2 . . . . . . . . 6682 1 496 . 1 1 78 78 ARG HG3 H 1 2.03 0.02 . 2 . . . . . . . . 6682 1 497 . 1 1 78 78 ARG CD C 13 42.9 0.15 . 1 . . . . . . . . 6682 1 498 . 1 1 78 78 ARG HD2 H 1 3.46 0.02 . 2 . . . . . . . . 6682 1 499 . 1 1 78 78 ARG HD3 H 1 3.20 0.02 . 2 . . . . . . . . 6682 1 500 . 1 1 78 78 ARG C C 13 178.4 0.15 . 1 . . . . . . . . 6682 1 501 . 1 1 79 79 LEU N N 15 118.4 0.15 . 1 . . . . . . . . 6682 1 502 . 1 1 79 79 LEU H H 1 7.84 0.02 . 1 . . . . . . . . 6682 1 503 . 1 1 79 79 LEU CA C 13 57.5 0.15 . 1 . . . . . . . . 6682 1 504 . 1 1 79 79 LEU HA H 1 3.87 0.02 . 1 . . . . . . . . 6682 1 505 . 1 1 79 79 LEU CB C 13 41.5 0.15 . 1 . . . . . . . . 6682 1 506 . 1 1 79 79 LEU HB2 H 1 1.45 0.02 . 2 . . . . . . . . 6682 1 507 . 1 1 79 79 LEU HB3 H 1 1.60 0.02 . 2 . . . . . . . . 6682 1 508 . 1 1 79 79 LEU CG C 13 26.7 0.15 . 1 . . . . . . . . 6682 1 509 . 1 1 79 79 LEU HG H 1 1.35 0.02 . 1 . . . . . . . . 6682 1 510 . 1 1 79 79 LEU HD11 H 1 0.62 0.02 . 2 . . . . . . . . 6682 1 511 . 1 1 79 79 LEU HD12 H 1 0.62 0.02 . 2 . . . . . . . . 6682 1 512 . 1 1 79 79 LEU HD13 H 1 0.62 0.02 . 2 . . . . . . . . 6682 1 513 . 1 1 79 79 LEU HD21 H 1 0.74 0.02 . 2 . . . . . . . . 6682 1 514 . 1 1 79 79 LEU HD22 H 1 0.74 0.02 . 2 . . . . . . . . 6682 1 515 . 1 1 79 79 LEU HD23 H 1 0.74 0.02 . 2 . . . . . . . . 6682 1 516 . 1 1 79 79 LEU CD1 C 13 23.1 0.15 . 1 . . . . . . . . 6682 1 517 . 1 1 79 79 LEU CD2 C 13 25.5 0.15 . 1 . . . . . . . . 6682 1 518 . 1 1 79 79 LEU C C 13 179.8 0.15 . 1 . . . . . . . . 6682 1 519 . 1 1 80 80 LYS N N 15 119.0 0.15 . 1 . . . . . . . . 6682 1 520 . 1 1 80 80 LYS H H 1 7.60 0.02 . 1 . . . . . . . . 6682 1 521 . 1 1 80 80 LYS CA C 13 58.9 0.15 . 1 . . . . . . . . 6682 1 522 . 1 1 80 80 LYS HA H 1 4.13 0.02 . 1 . . . . . . . . 6682 1 523 . 1 1 80 80 LYS CB C 13 32.3 0.15 . 1 . . . . . . . . 6682 1 524 . 1 1 80 80 LYS HB2 H 1 1.91 0.02 . 1 . . . . . . . . 6682 1 525 . 1 1 80 80 LYS HB3 H 1 1.91 0.02 . 1 . . . . . . . . 6682 1 526 . 1 1 80 80 LYS CG C 13 24.9 0.15 . 1 . . . . . . . . 6682 1 527 . 1 1 80 80 LYS HG2 H 1 1.47 0.02 . 1 . . . . . . . . 6682 1 528 . 1 1 80 80 LYS HG3 H 1 1.47 0.02 . 1 . . . . . . . . 6682 1 529 . 1 1 80 80 LYS CD C 13 29.3 0.15 . 1 . . . . . . . . 6682 1 530 . 1 1 80 80 LYS HD2 H 1 1.48 0.02 . 2 . . . . . . . . 6682 1 531 . 1 1 80 80 LYS HD3 H 1 1.71 0.02 . 2 . . . . . . . . 6682 1 532 . 1 1 80 80 LYS CE C 13 42.5 0.15 . 1 . . . . . . . . 6682 1 533 . 1 1 80 80 LYS HE3 H 1 2.99 0.02 . 2 . . . . . . . . 6682 1 534 . 1 1 80 80 LYS C C 13 179.0 0.15 . 1 . . . . . . . . 6682 1 535 . 1 1 81 81 GLN N N 15 119.8 0.15 . 1 . . . . . . . . 6682 1 536 . 1 1 81 81 GLN H H 1 7.95 0.02 . 1 . . . . . . . . 6682 1 537 . 1 1 81 81 GLN CA C 13 58.0 0.15 . 1 . . . . . . . . 6682 1 538 . 1 1 81 81 GLN HA H 1 4.15 0.02 . 1 . . . . . . . . 6682 1 539 . 1 1 81 81 GLN CB C 13 28.8 0.15 . 1 . . . . . . . . 6682 1 540 . 1 1 81 81 GLN HB3 H 1 2.24 0.02 . 2 . . . . . . . . 6682 1 541 . 1 1 81 81 GLN CG C 13 34.0 0.15 . 1 . . . . . . . . 6682 1 542 . 1 1 81 81 GLN HG2 H 1 2.40 0.02 . 2 . . . . . . . . 6682 1 543 . 1 1 81 81 GLN HG3 H 1 2.56 0.02 . 2 . . . . . . . . 6682 1 544 . 1 1 81 81 GLN NE2 N 15 111.9 0.15 . 1 . . . . . . . . 6682 1 545 . 1 1 81 81 GLN HE21 H 1 7.54 0.02 . 2 . . . . . . . . 6682 1 546 . 1 1 81 81 GLN HE22 H 1 6.86 0.02 . 2 . . . . . . . . 6682 1 547 . 1 1 81 81 GLN C C 13 177.7 0.15 . 1 . . . . . . . . 6682 1 548 . 1 1 82 82 LEU N N 15 119.1 0.15 . 1 . . . . . . . . 6682 1 549 . 1 1 82 82 LEU H H 1 7.88 0.02 . 1 . . . . . . . . 6682 1 550 . 1 1 82 82 LEU CA C 13 55.9 0.15 . 1 . . . . . . . . 6682 1 551 . 1 1 82 82 LEU HA H 1 4.29 0.02 . 1 . . . . . . . . 6682 1 552 . 1 1 82 82 LEU CB C 13 42.6 0.15 . 1 . . . . . . . . 6682 1 553 . 1 1 82 82 LEU HB2 H 1 1.59 0.02 . 2 . . . . . . . . 6682 1 554 . 1 1 82 82 LEU HB3 H 1 1.79 0.02 . 2 . . . . . . . . 6682 1 555 . 1 1 82 82 LEU CG C 13 27.0 0.15 . 1 . . . . . . . . 6682 1 556 . 1 1 82 82 LEU HG H 1 1.75 0.02 . 1 . . . . . . . . 6682 1 557 . 1 1 82 82 LEU HD21 H 1 0.90 0.02 . 2 . . . . . . . . 6682 1 558 . 1 1 82 82 LEU HD22 H 1 0.90 0.02 . 2 . . . . . . . . 6682 1 559 . 1 1 82 82 LEU HD23 H 1 0.90 0.02 . 2 . . . . . . . . 6682 1 560 . 1 1 82 82 LEU CD2 C 13 23.1 0.15 . 1 . . . . . . . . 6682 1 561 . 1 1 82 82 LEU C C 13 177.7 0.15 . 1 . . . . . . . . 6682 1 562 . 1 1 83 83 SER N N 15 114.6 0.15 . 1 . . . . . . . . 6682 1 563 . 1 1 83 83 SER H H 1 7.85 0.02 . 1 . . . . . . . . 6682 1 564 . 1 1 83 83 SER CA C 13 59.3 0.15 . 1 . . . . . . . . 6682 1 565 . 1 1 83 83 SER HA H 1 4.40 0.02 . 1 . . . . . . . . 6682 1 566 . 1 1 83 83 SER CB C 13 63.9 0.15 . 1 . . . . . . . . 6682 1 567 . 1 1 83 83 SER HB3 H 1 3.98 0.02 . 2 . . . . . . . . 6682 1 568 . 1 1 83 83 SER C C 13 174.5 0.15 . 1 . . . . . . . . 6682 1 569 . 1 1 84 84 VAL N N 15 119.0 0.15 . 1 . . . . . . . . 6682 1 570 . 1 1 84 84 VAL H H 1 7.75 0.02 . 1 . . . . . . . . 6682 1 571 . 1 1 84 84 VAL CA C 13 62.4 0.15 . 1 . . . . . . . . 6682 1 572 . 1 1 84 84 VAL HA H 1 4.24 0.02 . 1 . . . . . . . . 6682 1 573 . 1 1 84 84 VAL CB C 13 33.3 0.15 . 1 . . . . . . . . 6682 1 574 . 1 1 84 84 VAL HB H 1 2.17 0.02 . 1 . . . . . . . . 6682 1 575 . 1 1 84 84 VAL HG21 H 1 0.95 0.02 . 2 . . . . . . . . 6682 1 576 . 1 1 84 84 VAL HG22 H 1 0.95 0.02 . 2 . . . . . . . . 6682 1 577 . 1 1 84 84 VAL HG23 H 1 0.95 0.02 . 2 . . . . . . . . 6682 1 578 . 1 1 84 84 VAL CG2 C 13 21.1 0.15 . 1 . . . . . . . . 6682 1 579 . 1 1 84 84 VAL C C 13 176.0 0.15 . 1 . . . . . . . . 6682 1 580 . 1 1 85 85 GLU N N 15 125.0 0.15 . 1 . . . . . . . . 6682 1 581 . 1 1 85 85 GLU H H 1 8.22 0.02 . 1 . . . . . . . . 6682 1 582 . 1 1 85 85 GLU CA C 13 54.8 0.15 . 1 . . . . . . . . 6682 1 583 . 1 1 85 85 GLU HA H 1 4.60 0.02 . 1 . . . . . . . . 6682 1 584 . 1 1 85 85 GLU CB C 13 29.6 0.15 . 1 . . . . . . . . 6682 1 585 . 1 1 85 85 GLU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 6682 1 586 . 1 1 85 85 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 6682 1 587 . 1 1 85 85 GLU CG C 13 36.4 0.15 . 1 . . . . . . . . 6682 1 588 . 1 1 85 85 GLU HG3 H 1 2.32 0.02 . 2 . . . . . . . . 6682 1 589 . 1 1 85 85 GLU C C 13 174.7 0.15 . 1 . . . . . . . . 6682 1 590 . 1 1 86 86 PRO CD C 13 51.6 0.15 . 1 . . . . . . . . 6682 1 591 . 1 1 86 86 PRO CA C 13 64.0 0.15 . 1 . . . . . . . . 6682 1 592 . 1 1 86 86 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 6682 1 593 . 1 1 86 86 PRO CB C 13 32.2 0.15 . 1 . . . . . . . . 6682 1 594 . 1 1 86 86 PRO HB3 H 1 2.22 0.02 . 2 . . . . . . . . 6682 1 595 . 1 1 86 86 PRO CG C 13 27.8 0.15 . 1 . . . . . . . . 6682 1 596 . 1 1 86 86 PRO HG2 H 1 1.81 0.02 . 2 . . . . . . . . 6682 1 597 . 1 1 86 86 PRO C C 13 176.9 0.15 . 1 . . . . . . . . 6682 1 598 . 1 1 87 87 TYR N N 15 119.9 0.15 . 1 . . . . . . . . 6682 1 599 . 1 1 87 87 TYR H H 1 8.14 0.02 . 1 . . . . . . . . 6682 1 600 . 1 1 87 87 TYR CA C 13 57.9 0.15 . 1 . . . . . . . . 6682 1 601 . 1 1 87 87 TYR HA H 1 4.59 0.02 . 1 . . . . . . . . 6682 1 602 . 1 1 87 87 TYR CB C 13 38.8 0.15 . 1 . . . . . . . . 6682 1 603 . 1 1 87 87 TYR HB3 H 1 3.04 0.02 . 2 . . . . . . . . 6682 1 604 . 1 1 87 87 TYR HD1 H 1 7.11 0.02 . 1 . . . . . . . . 6682 1 605 . 1 1 87 87 TYR HD2 H 1 7.11 0.02 . 1 . . . . . . . . 6682 1 606 . 1 1 87 87 TYR HE1 H 1 6.79 0.02 . 1 . . . . . . . . 6682 1 607 . 1 1 87 87 TYR HE2 H 1 6.79 0.02 . 1 . . . . . . . . 6682 1 608 . 1 1 87 87 TYR CD1 C 13 133.3 0.15 . 1 . . . . . . . . 6682 1 609 . 1 1 87 87 TYR CE1 C 13 118.3 0.15 . 1 . . . . . . . . 6682 1 610 . 1 1 87 87 TYR C C 13 176.0 0.15 . 1 . . . . . . . . 6682 1 611 . 1 1 88 88 SER N N 15 117.9 0.15 . 1 . . . . . . . . 6682 1 612 . 1 1 88 88 SER H H 1 8.17 0.02 . 1 . . . . . . . . 6682 1 613 . 1 1 88 88 SER CA C 13 58.0 0.15 . 1 . . . . . . . . 6682 1 614 . 1 1 88 88 SER HA H 1 4.47 0.02 . 1 . . . . . . . . 6682 1 615 . 1 1 88 88 SER CB C 13 64.5 0.15 . 1 . . . . . . . . 6682 1 616 . 1 1 88 88 SER HB3 H 1 3.88 0.02 . 2 . . . . . . . . 6682 1 617 . 1 1 88 88 SER C C 13 174.8 0.15 . 1 . . . . . . . . 6682 1 618 . 1 1 89 89 GLN N N 15 123.5 0.15 . 1 . . . . . . . . 6682 1 619 . 1 1 89 89 GLN H H 1 8.54 0.02 . 1 . . . . . . . . 6682 1 620 . 1 1 89 89 GLN CA C 13 57.3 0.15 . 1 . . . . . . . . 6682 1 621 . 1 1 89 89 GLN HA H 1 4.23 0.02 . 1 . . . . . . . . 6682 1 622 . 1 1 89 89 GLN CB C 13 29.5 0.15 . 1 . . . . . . . . 6682 1 623 . 1 1 89 89 GLN HB3 H 1 2.10 0.02 . 2 . . . . . . . . 6682 1 624 . 1 1 89 89 GLN CG C 13 34.0 0.15 . 1 . . . . . . . . 6682 1 625 . 1 1 89 89 GLN HG2 H 1 2.40 0.02 . 1 . . . . . . . . 6682 1 626 . 1 1 89 89 GLN HG3 H 1 2.40 0.02 . 1 . . . . . . . . 6682 1 627 . 1 1 89 89 GLN NE2 N 15 112.5 0.15 . 1 . . . . . . . . 6682 1 628 . 1 1 89 89 GLN HE21 H 1 7.67 0.02 . 2 . . . . . . . . 6682 1 629 . 1 1 89 89 GLN HE22 H 1 6.84 0.02 . 2 . . . . . . . . 6682 1 630 . 1 1 89 89 GLN C C 13 176.9 0.15 . 1 . . . . . . . . 6682 1 631 . 1 1 90 90 GLU N N 15 120.7 0.15 . 1 . . . . . . . . 6682 1 632 . 1 1 90 90 GLU H H 1 8.47 0.02 . 1 . . . . . . . . 6682 1 633 . 1 1 90 90 GLU CA C 13 58.7 0.15 . 1 . . . . . . . . 6682 1 634 . 1 1 90 90 GLU HA H 1 4.39 0.02 . 1 . . . . . . . . 6682 1 635 . 1 1 90 90 GLU CB C 13 30.4 0.15 . 1 . . . . . . . . 6682 1 636 . 1 1 90 90 GLU HB3 H 1 2.02 0.02 . 2 . . . . . . . . 6682 1 637 . 1 1 90 90 GLU CG C 13 36.1 0.15 . 1 . . . . . . . . 6682 1 638 . 1 1 90 90 GLU C C 13 177.8 0.15 . 1 . . . . . . . . 6682 1 639 . 1 1 91 91 GLU N N 15 121.3 0.15 . 1 . . . . . . . . 6682 1 640 . 1 1 91 91 GLU H H 1 8.19 0.02 . 1 . . . . . . . . 6682 1 641 . 1 1 91 91 GLU CA C 13 58.0 0.15 . 1 . . . . . . . . 6682 1 642 . 1 1 91 91 GLU HA H 1 4.14 0.02 . 1 . . . . . . . . 6682 1 643 . 1 1 91 91 GLU CB C 13 30.3 0.15 . 1 . . . . . . . . 6682 1 644 . 1 1 91 91 GLU HB3 H 1 2.03 0.02 . 2 . . . . . . . . 6682 1 645 . 1 1 91 91 GLU CG C 13 36.5 0.15 . 1 . . . . . . . . 6682 1 646 . 1 1 91 91 GLU HG2 H 1 2.56 0.02 . 2 . . . . . . . . 6682 1 647 . 1 1 91 91 GLU C C 13 175.9 0.15 . 1 . . . . . . . . 6682 1 648 . 1 1 92 92 ALA N N 15 123.8 0.15 . 1 . . . . . . . . 6682 1 649 . 1 1 92 92 ALA H H 1 8.19 0.02 . 1 . . . . . . . . 6682 1 650 . 1 1 92 92 ALA CA C 13 53.8 0.15 . 1 . . . . . . . . 6682 1 651 . 1 1 92 92 ALA HA H 1 4.20 0.02 . 1 . . . . . . . . 6682 1 652 . 1 1 92 92 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 6682 1 653 . 1 1 92 92 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 6682 1 654 . 1 1 92 92 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 6682 1 655 . 1 1 92 92 ALA CB C 13 19.1 0.15 . 1 . . . . . . . . 6682 1 656 . 1 1 92 92 ALA C C 13 179.3 0.15 . 1 . . . . . . . . 6682 1 657 . 1 1 93 93 GLU N N 15 118.9 0.15 . 1 . . . . . . . . 6682 1 658 . 1 1 93 93 GLU H H 1 8.22 0.02 . 1 . . . . . . . . 6682 1 659 . 1 1 93 93 GLU CA C 13 58.2 0.15 . 1 . . . . . . . . 6682 1 660 . 1 1 93 93 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 6682 1 661 . 1 1 93 93 GLU CB C 13 30.3 0.15 . 1 . . . . . . . . 6682 1 662 . 1 1 93 93 GLU HB3 H 1 2.06 0.02 . 2 . . . . . . . . 6682 1 663 . 1 1 93 93 GLU CG C 13 36.5 0.15 . 1 . . . . . . . . 6682 1 664 . 1 1 93 93 GLU HG2 H 1 2.30 0.02 . 2 . . . . . . . . 6682 1 665 . 1 1 93 93 GLU HG3 H 1 2.75 0.02 . 2 . . . . . . . . 6682 1 666 . 1 1 93 93 GLU C C 13 177.9 0.15 . 1 . . . . . . . . 6682 1 667 . 1 1 94 94 ARG N N 15 121.1 0.15 . 1 . . . . . . . . 6682 1 668 . 1 1 94 94 ARG H H 1 8.04 0.02 . 1 . . . . . . . . 6682 1 669 . 1 1 94 94 ARG CA C 13 57.3 0.15 . 1 . . . . . . . . 6682 1 670 . 1 1 94 94 ARG HA H 1 4.22 0.02 . 1 . . . . . . . . 6682 1 671 . 1 1 94 94 ARG CB C 13 30.6 0.15 . 1 . . . . . . . . 6682 1 672 . 1 1 94 94 ARG HB3 H 1 1.87 0.02 . 2 . . . . . . . . 6682 1 673 . 1 1 94 94 ARG CG C 13 27.6 0.15 . 1 . . . . . . . . 6682 1 674 . 1 1 94 94 ARG HG2 H 1 1.34 0.02 . 2 . . . . . . . . 6682 1 675 . 1 1 94 94 ARG HG3 H 1 1.72 0.02 . 2 . . . . . . . . 6682 1 676 . 1 1 94 94 ARG CD C 13 43.6 0.15 . 1 . . . . . . . . 6682 1 677 . 1 1 94 94 ARG HD2 H 1 2.97 0.02 . 2 . . . . . . . . 6682 1 678 . 1 1 94 94 ARG HD3 H 1 3.20 0.02 . 2 . . . . . . . . 6682 1 679 . 1 1 94 94 ARG NE N 15 111.9 0.15 . 1 . . . . . . . . 6682 1 680 . 1 1 94 94 ARG HE H 1 6.86 0.02 . 1 . . . . . . . . 6682 1 681 . 1 1 94 94 ARG C C 13 177.4 0.15 . 1 . . . . . . . . 6682 1 682 . 1 1 95 95 ALA N N 15 123.7 0.15 . 1 . . . . . . . . 6682 1 683 . 1 1 95 95 ALA H H 1 8.14 0.02 . 1 . . . . . . . . 6682 1 684 . 1 1 95 95 ALA CA C 13 53.5 0.15 . 1 . . . . . . . . 6682 1 685 . 1 1 95 95 ALA HA H 1 4.23 0.02 . 1 . . . . . . . . 6682 1 686 . 1 1 95 95 ALA HB1 H 1 1.05 0.02 . 1 . . . . . . . . 6682 1 687 . 1 1 95 95 ALA HB2 H 1 1.05 0.02 . 1 . . . . . . . . 6682 1 688 . 1 1 95 95 ALA HB3 H 1 1.05 0.02 . 1 . . . . . . . . 6682 1 689 . 1 1 95 95 ALA CB C 13 19.2 0.15 . 1 . . . . . . . . 6682 1 690 . 1 1 95 95 ALA C C 13 178.3 0.15 . 1 . . . . . . . . 6682 1 691 . 1 1 96 96 ALA N N 15 121.9 0.15 . 1 . . . . . . . . 6682 1 692 . 1 1 96 96 ALA H H 1 8.02 0.02 . 1 . . . . . . . . 6682 1 693 . 1 1 96 96 ALA CA C 13 53.5 0.15 . 1 . . . . . . . . 6682 1 694 . 1 1 96 96 ALA HA H 1 4.31 0.02 . 1 . . . . . . . . 6682 1 695 . 1 1 96 96 ALA HB1 H 1 1.47 0.02 . 1 . . . . . . . . 6682 1 696 . 1 1 96 96 ALA HB2 H 1 1.47 0.02 . 1 . . . . . . . . 6682 1 697 . 1 1 96 96 ALA HB3 H 1 1.47 0.02 . 1 . . . . . . . . 6682 1 698 . 1 1 96 96 ALA CB C 13 19.1 0.15 . 1 . . . . . . . . 6682 1 699 . 1 1 96 96 ALA C C 13 178.7 0.15 . 1 . . . . . . . . 6682 1 700 . 1 1 97 97 GLY N N 15 107.3 0.15 . 1 . . . . . . . . 6682 1 701 . 1 1 97 97 GLY H H 1 8.16 0.02 . 1 . . . . . . . . 6682 1 702 . 1 1 97 97 GLY CA C 13 45.9 0.15 . 1 . . . . . . . . 6682 1 703 . 1 1 97 97 GLY HA3 H 1 4.01 0.02 . 2 . . . . . . . . 6682 1 704 . 1 1 97 97 GLY C C 13 174.8 0.15 . 1 . . . . . . . . 6682 1 705 . 1 1 98 98 MET N N 15 119.6 0.15 . 1 . . . . . . . . 6682 1 706 . 1 1 98 98 MET H H 1 8.12 0.02 . 1 . . . . . . . . 6682 1 707 . 1 1 98 98 MET CA C 13 55.9 0.15 . 1 . . . . . . . . 6682 1 708 . 1 1 98 98 MET HA H 1 4.55 0.02 . 1 . . . . . . . . 6682 1 709 . 1 1 98 98 MET CB C 13 33.0 0.15 . 1 . . . . . . . . 6682 1 710 . 1 1 98 98 MET HB3 H 1 2.17 0.02 . 2 . . . . . . . . 6682 1 711 . 1 1 98 98 MET CG C 13 32.3 0.15 . 1 . . . . . . . . 6682 1 712 . 1 1 98 98 MET HG3 H 1 2.65 0.02 . 2 . . . . . . . . 6682 1 713 . 1 1 98 98 MET C C 13 177.0 0.15 . 1 . . . . . . . . 6682 1 714 . 1 1 99 99 GLY N N 15 109.9 0.15 . 1 . . . . . . . . 6682 1 715 . 1 1 99 99 GLY H H 1 8.45 0.02 . 1 . . . . . . . . 6682 1 716 . 1 1 99 99 GLY CA C 13 45.9 0.15 . 1 . . . . . . . . 6682 1 717 . 1 1 99 99 GLY HA2 H 1 3.56 0.02 . 2 . . . . . . . . 6682 1 718 . 1 1 99 99 GLY HA3 H 1 3.82 0.02 . 2 . . . . . . . . 6682 1 719 . 1 1 99 99 GLY C C 13 174.3 0.15 . 1 . . . . . . . . 6682 1 720 . 1 1 100 100 SER N N 15 115.7 0.15 . 1 . . . . . . . . 6682 1 721 . 1 1 100 100 SER H H 1 8.14 0.02 . 1 . . . . . . . . 6682 1 722 . 1 1 100 100 SER CA C 13 58.6 0.15 . 1 . . . . . . . . 6682 1 723 . 1 1 100 100 SER HA H 1 4.49 0.02 . 1 . . . . . . . . 6682 1 724 . 1 1 100 100 SER CB C 13 64.7 0.15 . 1 . . . . . . . . 6682 1 725 . 1 1 100 100 SER HB2 H 1 3.85 0.02 . 2 . . . . . . . . 6682 1 726 . 1 1 100 100 SER HB3 H 1 4.43 0.02 . 2 . . . . . . . . 6682 1 727 . 1 1 100 100 SER C C 13 174.0 0.15 . 1 . . . . . . . . 6682 1 728 . 1 1 101 101 TYR N N 15 123.1 0.15 . 1 . . . . . . . . 6682 1 729 . 1 1 101 101 TYR H H 1 8.21 0.02 . 1 . . . . . . . . 6682 1 730 . 1 1 101 101 TYR CA C 13 58.6 0.15 . 1 . . . . . . . . 6682 1 731 . 1 1 101 101 TYR HA H 1 4.55 0.02 . 1 . . . . . . . . 6682 1 732 . 1 1 101 101 TYR CB C 13 39.4 0.15 . 1 . . . . . . . . 6682 1 733 . 1 1 101 101 TYR HB2 H 1 3.06 0.02 . 2 . . . . . . . . 6682 1 734 . 1 1 101 101 TYR HB3 H 1 2.89 0.02 . 2 . . . . . . . . 6682 1 735 . 1 1 101 101 TYR C C 13 174.9 0.15 . 1 . . . . . . . . 6682 1 736 . 1 1 102 102 VAL N N 15 127.5 0.15 . 1 . . . . . . . . 6682 1 737 . 1 1 102 102 VAL H H 1 7.82 0.02 . 1 . . . . . . . . 6682 1 738 . 1 1 102 102 VAL CA C 13 59.3 0.15 . 1 . . . . . . . . 6682 1 739 . 1 1 102 102 VAL HA H 1 4.29 0.02 . 1 . . . . . . . . 6682 1 740 . 1 1 102 102 VAL CB C 13 33.6 0.15 . 1 . . . . . . . . 6682 1 741 . 1 1 102 102 VAL HB H 1 1.89 0.02 . 1 . . . . . . . . 6682 1 742 . 1 1 102 102 VAL HG11 H 1 0.88 0.02 . 1 . . . . . . . . 6682 1 743 . 1 1 102 102 VAL HG12 H 1 0.88 0.02 . 1 . . . . . . . . 6682 1 744 . 1 1 102 102 VAL HG13 H 1 0.88 0.02 . 1 . . . . . . . . 6682 1 745 . 1 1 102 102 VAL HG21 H 1 0.88 0.02 . 1 . . . . . . . . 6682 1 746 . 1 1 102 102 VAL HG22 H 1 0.88 0.02 . 1 . . . . . . . . 6682 1 747 . 1 1 102 102 VAL HG23 H 1 0.88 0.02 . 1 . . . . . . . . 6682 1 748 . 1 1 102 102 VAL CG1 C 13 20.9 0.15 . 1 . . . . . . . . 6682 1 749 . 1 1 102 102 VAL CG2 C 13 19.2 0.15 . 1 . . . . . . . . 6682 1 750 . 1 1 102 102 VAL C C 13 173.1 0.15 . 1 . . . . . . . . 6682 1 stop_ save_