data_6834 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6834 _Entry.Title ; Solution Structure of the hSet2/HYPB SRI domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-09-21 _Entry.Accession_date 2005-09-21 _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 M. Li . . . 6834 2 H. Phatnani . P. . 6834 3 A. Greenleaf . . . 6834 4 P. Zhou . . . 6834 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6834 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 381 6834 '15N chemical shifts' 110 6834 '1H chemical shifts' 756 6834 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 2 . . 2005-12-23 . original author 'original release' 6834 1 . . 2007-02-05 . update BMRB 'complete reference citation' 6834 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6834 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16435090 _Citation.Full_citation . _Citation.Title 'NMR assignment of the SRI domain of human Set2/HYPB.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 5 _Citation.Page_last 5 _Citation.Year 2006 _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 M. Li . . . 6834 1 2 H. Phatnani . P. . 6834 1 3 A. Greenleaf . L. . 6834 1 4 P. Zhou . . . 6834 1 stop_ save_ save_citation _Citation.Sf_category citations _Citation.Sf_framecode citation _Citation.Entry_ID 6834 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16314571 _Citation.Full_citation . _Citation.Title ; Solution structure of the Set2-Rpb1 interacting domain of human Set2 and its interaction with the hyperphosphorylated C-terminal domain of Rpb1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 102 _Citation.Journal_issue 49 _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 17636 _Citation.Page_last 17641 _Citation.Year 2005 _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 M. Li . . . 6834 2 2 H. Phatnani . P. . 6834 2 3 Z. Guan . . . 6834 2 4 H. Sage . . . 6834 2 5 A. Greenleaf . L. . 6834 2 6 P. Zhou . . . 6834 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID hSet2 6834 2 hSRI 6834 2 PCAP 6834 2 PCID 6834 2 'phosphoCTD associating protein' 6834 2 Set2 6834 2 'Set2 Rpb1-interacting domain' 6834 2 SRI 6834 2 'SRI domain' 6834 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HYPB _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HYPB _Assembly.Entry_ID 6834 _Assembly.ID 1 _Assembly.Name 'Huntingtin interacting protein B isoform 1' _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 free' _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 6834 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 'Huntingtin interacting protein B' 1 $hSRI_domain . . . native . . . . . 6834 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 2A7O . . . . . . 6834 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Huntingtin interacting protein B isoform 1' system 6834 1 HYPB abbreviation 6834 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hSRI_domain _Entity.Sf_category entity _Entity.Sf_framecode hSRI_domain _Entity.Entry_ID 6834 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'the Set2-Rpb1-Interacting domain of Huntingtin interacting protein B isoform 1' _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 ; GSHMTAEADTSSELAKKSKE VFRKEMSQFIVQCLNPYRKP DCKVGRITTTEDFKHLARKL THGVMNKELKYCKNPEDLEC NENVKHKTKEYIKKYMQKFG AVYKPKEDTELE ; _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-01-28 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 1 no PDB 2A7O . "Solution Structure Of The Hset2HYPB SRI DOMAIN" . . . . . 100.00 112 100.00 100.00 6.77e-76 . . . . 6834 1 2 no DBJ BAB21823 . "KIAA1732 protein [Homo sapiens]" . . . . . 96.43 1915 100.00 100.00 1.47e-65 . . . . 6834 1 3 no DBJ BAD32524 . "mKIAA1732 protein [Mus musculus]" . . . . . 96.43 704 100.00 100.00 4.29e-69 . . . . 6834 1 4 no DBJ BAG10485 . "SET domain-containing protein 2 [synthetic construct]" . . . . . 96.43 2642 100.00 100.00 1.04e-65 . . . . 6834 1 5 no EMBL CAC28349 . "huntingtin interacting protein 1 [Homo sapiens]" . . . . . 96.43 2061 100.00 100.00 1.45e-65 . . . . 6834 1 6 no EMBL CAD28492 . "hypothetical protein [Homo sapiens]" . . . . . 96.43 337 100.00 100.00 4.38e-72 . . . . 6834 1 7 no GB AAC26194 . "Huntingtin interacting protein [Homo sapiens]" . . . . . 96.43 178 100.00 100.00 9.96e-72 . . . . 6834 1 8 no GB AAH31601 . "Setd2 protein, partial [Mus musculus]" . . . . . 96.43 417 100.00 100.00 2.08e-71 . . . . 6834 1 9 no GB AAH59049 . "Setd2 protein, partial [Mus musculus]" . . . . . 96.43 737 100.00 100.00 5.98e-69 . . . . 6834 1 10 no GB AAH90954 . "SETD2 protein, partial [Homo sapiens]" . . . . . 96.43 1845 100.00 100.00 1.42e-65 . . . . 6834 1 11 no GB AAI17163 . "SET domain containing 2 [Homo sapiens]" . . . . . 96.43 2061 100.00 100.00 1.40e-65 . . . . 6834 1 12 no REF NP_001074809 . "histone-lysine N-methyltransferase SETD2 [Mus musculus]" . . . . . 96.43 2537 100.00 100.00 9.99e-66 . . . . 6834 1 13 no REF NP_001101659 . "histone-lysine N-methyltransferase SETD2 [Rattus norvegicus]" . . . . . 96.43 2294 100.00 100.00 9.57e-66 . . . . 6834 1 14 no REF NP_054878 . "histone-lysine N-methyltransferase SETD2 [Homo sapiens]" . . . . . 96.43 2564 100.00 100.00 9.41e-66 . . . . 6834 1 15 no REF XP_001113652 . "PREDICTED: histone-lysine N-methyltransferase SETD2-like isoform 2 [Macaca mulatta]" . . . . . 96.43 2550 100.00 100.00 8.50e-66 . . . . 6834 1 16 no REF XP_001375978 . "PREDICTED: histone-lysine N-methyltransferase SETD2 isoform X1 [Monodelphis domestica]" . . . . . 96.43 2592 98.15 99.07 6.12e-65 . . . . 6834 1 17 no SP E9Q5F9 . "RecName: Full=Histone-lysine N-methyltransferase SETD2; AltName: Full=Lysine N-methyltransferase 3A; AltName: Full=SET domain-c" . . . . . 96.43 2537 100.00 100.00 9.99e-66 . . . . 6834 1 18 no SP Q9BYW2 . "RecName: Full=Histone-lysine N-methyltransferase SETD2; AltName: Full=HIF-1; AltName: Full=Huntingtin yeast partner B; AltName:" . . . . . 96.43 2564 100.00 100.00 9.41e-66 . . . . 6834 1 19 no TPG DAA16805 . "TPA: Wolf-Hirschhorn syndrome candidate 1 protein-like [Bos taurus]" . . . . . 96.43 2547 100.00 100.00 7.71e-66 . . . . 6834 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'hSRI domain' abbreviation 6834 1 'the Set2-Rpb1-Interacting domain of Huntingtin interacting protein B isoform 1' common 6834 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 . GLY . 6834 1 2 . SER . 6834 1 3 . HIS . 6834 1 4 . MET . 6834 1 5 . THR . 6834 1 6 . ALA . 6834 1 7 . GLU . 6834 1 8 . ALA . 6834 1 9 . ASP . 6834 1 10 . THR . 6834 1 11 . SER . 6834 1 12 . SER . 6834 1 13 . GLU . 6834 1 14 . LEU . 6834 1 15 . ALA . 6834 1 16 . LYS . 6834 1 17 . LYS . 6834 1 18 . SER . 6834 1 19 . LYS . 6834 1 20 . GLU . 6834 1 21 . VAL . 6834 1 22 . PHE . 6834 1 23 . ARG . 6834 1 24 . LYS . 6834 1 25 . GLU . 6834 1 26 . MET . 6834 1 27 . SER . 6834 1 28 . GLN . 6834 1 29 . PHE . 6834 1 30 . ILE . 6834 1 31 . VAL . 6834 1 32 . GLN . 6834 1 33 . CYS . 6834 1 34 . LEU . 6834 1 35 . ASN . 6834 1 36 . PRO . 6834 1 37 . TYR . 6834 1 38 . ARG . 6834 1 39 . LYS . 6834 1 40 . PRO . 6834 1 41 . ASP . 6834 1 42 . CYS . 6834 1 43 . LYS . 6834 1 44 . VAL . 6834 1 45 . GLY . 6834 1 46 . ARG . 6834 1 47 . ILE . 6834 1 48 . THR . 6834 1 49 . THR . 6834 1 50 . THR . 6834 1 51 . GLU . 6834 1 52 . ASP . 6834 1 53 . PHE . 6834 1 54 . LYS . 6834 1 55 . HIS . 6834 1 56 . LEU . 6834 1 57 . ALA . 6834 1 58 . ARG . 6834 1 59 . LYS . 6834 1 60 . LEU . 6834 1 61 . THR . 6834 1 62 . HIS . 6834 1 63 . GLY . 6834 1 64 . VAL . 6834 1 65 . MET . 6834 1 66 . ASN . 6834 1 67 . LYS . 6834 1 68 . GLU . 6834 1 69 . LEU . 6834 1 70 . LYS . 6834 1 71 . TYR . 6834 1 72 . CYS . 6834 1 73 . LYS . 6834 1 74 . ASN . 6834 1 75 . PRO . 6834 1 76 . GLU . 6834 1 77 . ASP . 6834 1 78 . LEU . 6834 1 79 . GLU . 6834 1 80 . CYS . 6834 1 81 . ASN . 6834 1 82 . GLU . 6834 1 83 . ASN . 6834 1 84 . VAL . 6834 1 85 . LYS . 6834 1 86 . HIS . 6834 1 87 . LYS . 6834 1 88 . THR . 6834 1 89 . LYS . 6834 1 90 . GLU . 6834 1 91 . TYR . 6834 1 92 . ILE . 6834 1 93 . LYS . 6834 1 94 . LYS . 6834 1 95 . TYR . 6834 1 96 . MET . 6834 1 97 . GLN . 6834 1 98 . LYS . 6834 1 99 . PHE . 6834 1 100 . GLY . 6834 1 101 . ALA . 6834 1 102 . VAL . 6834 1 103 . TYR . 6834 1 104 . LYS . 6834 1 105 . PRO . 6834 1 106 . LYS . 6834 1 107 . GLU . 6834 1 108 . ASP . 6834 1 109 . THR . 6834 1 110 . GLU . 6834 1 111 . LEU . 6834 1 112 . GLU . 6834 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 6834 1 . SER 2 2 6834 1 . HIS 3 3 6834 1 . MET 4 4 6834 1 . THR 5 5 6834 1 . ALA 6 6 6834 1 . GLU 7 7 6834 1 . ALA 8 8 6834 1 . ASP 9 9 6834 1 . THR 10 10 6834 1 . SER 11 11 6834 1 . SER 12 12 6834 1 . GLU 13 13 6834 1 . LEU 14 14 6834 1 . ALA 15 15 6834 1 . LYS 16 16 6834 1 . LYS 17 17 6834 1 . SER 18 18 6834 1 . LYS 19 19 6834 1 . GLU 20 20 6834 1 . VAL 21 21 6834 1 . PHE 22 22 6834 1 . ARG 23 23 6834 1 . LYS 24 24 6834 1 . GLU 25 25 6834 1 . MET 26 26 6834 1 . SER 27 27 6834 1 . GLN 28 28 6834 1 . PHE 29 29 6834 1 . ILE 30 30 6834 1 . VAL 31 31 6834 1 . GLN 32 32 6834 1 . CYS 33 33 6834 1 . LEU 34 34 6834 1 . ASN 35 35 6834 1 . PRO 36 36 6834 1 . TYR 37 37 6834 1 . ARG 38 38 6834 1 . LYS 39 39 6834 1 . PRO 40 40 6834 1 . ASP 41 41 6834 1 . CYS 42 42 6834 1 . LYS 43 43 6834 1 . VAL 44 44 6834 1 . GLY 45 45 6834 1 . ARG 46 46 6834 1 . ILE 47 47 6834 1 . THR 48 48 6834 1 . THR 49 49 6834 1 . THR 50 50 6834 1 . GLU 51 51 6834 1 . ASP 52 52 6834 1 . PHE 53 53 6834 1 . LYS 54 54 6834 1 . HIS 55 55 6834 1 . LEU 56 56 6834 1 . ALA 57 57 6834 1 . ARG 58 58 6834 1 . LYS 59 59 6834 1 . LEU 60 60 6834 1 . THR 61 61 6834 1 . HIS 62 62 6834 1 . GLY 63 63 6834 1 . VAL 64 64 6834 1 . MET 65 65 6834 1 . ASN 66 66 6834 1 . LYS 67 67 6834 1 . GLU 68 68 6834 1 . LEU 69 69 6834 1 . LYS 70 70 6834 1 . TYR 71 71 6834 1 . CYS 72 72 6834 1 . LYS 73 73 6834 1 . ASN 74 74 6834 1 . PRO 75 75 6834 1 . GLU 76 76 6834 1 . ASP 77 77 6834 1 . LEU 78 78 6834 1 . GLU 79 79 6834 1 . CYS 80 80 6834 1 . ASN 81 81 6834 1 . GLU 82 82 6834 1 . ASN 83 83 6834 1 . VAL 84 84 6834 1 . LYS 85 85 6834 1 . HIS 86 86 6834 1 . LYS 87 87 6834 1 . THR 88 88 6834 1 . LYS 89 89 6834 1 . GLU 90 90 6834 1 . TYR 91 91 6834 1 . ILE 92 92 6834 1 . LYS 93 93 6834 1 . LYS 94 94 6834 1 . TYR 95 95 6834 1 . MET 96 96 6834 1 . GLN 97 97 6834 1 . LYS 98 98 6834 1 . PHE 99 99 6834 1 . GLY 100 100 6834 1 . ALA 101 101 6834 1 . VAL 102 102 6834 1 . TYR 103 103 6834 1 . LYS 104 104 6834 1 . PRO 105 105 6834 1 . LYS 106 106 6834 1 . GLU 107 107 6834 1 . ASP 108 108 6834 1 . THR 109 109 6834 1 . GLU 110 110 6834 1 . LEU 111 111 6834 1 . GLU 112 112 6834 1 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 6834 _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 $hSRI_domain . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6834 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 6834 _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 $hSRI_domain . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6834 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6834 _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 'the Set2-Rpb1-Interacting domain of Huntingtin interacting protein B isoform 1' [U-15N] . . 1 $hSRI_domain . . 2.0 . . mM . . . . 6834 1 2 KCl . . . . . . . 100 . . mM . . . . 6834 1 3 H2O . . . . . . . 90 . . % . . . . 6834 1 4 D2O . . . . . . . 10 . . % . . . . 6834 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6834 _Sample.ID 2 _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 'the Set2-Rpb1-Interacting domain of Huntingtin interacting protein B isoform 1' '[U-95% 13C; U-98% 15N]' . . 1 $hSRI_domain . . 2.0 . . mM . . . . 6834 2 2 KCl . . . . . . . 100 . . mM . . . . 6834 2 3 H2O . . . . . . . 90 . . % . . . . 6834 2 4 D2O . . . . . . . 10 . . % . . . . 6834 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6834 _Sample.ID 3 _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 'the Set2-Rpb1-Interacting domain of Huntingtin interacting protein B isoform 1' [U-15N]-Lys . . 1 $hSRI_domain . . 2.0 . . mM . . . . 6834 3 2 KCl . . . . . . . 100 . . mM . . . . 6834 3 3 H2O . . . . . . . 90 . . % . . . . 6834 3 4 D2O . . . . . . . 10 . . % . . . . 6834 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6834 _Sample.ID 4 _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 'the Set2-Rpb1-Interacting domain of Huntingtin interacting protein B isoform 1' '[U-95% 13C; U-98% 15N]' . . 1 $hSRI_domain . . 2.0 . . mM . . . . 6834 4 2 KCl . . . . . . . 100 . . mM . . . . 6834 4 3 D2O . . . . . . . 100 . . % . . . . 6834 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 6834 _Sample.ID 5 _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 'the Set2-Rpb1-Interacting domain of Huntingtin interacting protein B isoform 1' . . . 1 $hSRI_domain . . 2.0 . . mM . . . . 6834 5 2 KCl . . . . . . . 100 . . mM . . . . 6834 5 3 D2O . . . . . . . 100 . . % . . . . 6834 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 6834 _Sample.ID 6 _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 'the Set2-Rpb1-Interacting domain of Huntingtin interacting protein B isoform 1' '[U-10% 13C]' . . 1 $hSRI_domain . . 2.0 . . mM . . . . 6834 6 2 KCl . . . . . . . 100 . . mM . . . . 6834 6 3 D2O . . . . . . . 100 . . % . . . . 6834 6 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 6834 _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 'ionic strength' 100 . mM 6834 1 pH 7.0 0.01 pH 6834 1 pressure 1 . atm 6834 1 temperature 300 0.1 K 6834 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6834 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6834 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6834 _Software.ID 2 _Software.Name XEASY _Software.Version 1.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6834 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 6834 _Software.ID 3 _Software.Name DYANA _Software.Version 1.5 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6834 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6834 _Software.ID 4 _Software.Name CYANA _Software.Version 2.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6834 4 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 6834 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.7 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6834 5 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 6834 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 6834 _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 Varian INOVA . 600 . . . 6834 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 6834 _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 3D_15N-separated_NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6834 1 2 3D_13C-separated_NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6834 1 3 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6834 1 4 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6834 1 5 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6834 1 6 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6834 1 7 HN(CA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6834 1 8 HN(COCA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6834 1 9 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6834 1 10 HNCA-J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6834 1 11 '4D HC(CCO)NH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6834 1 12 15N-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6834 1 13 'high-resolution 13C-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6834 1 14 'RDC experiment in phage' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6834 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6834 _NMR_spec_expt.ID 1 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6834 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 3D_13C-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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6834 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6834 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6834 _NMR_spec_expt.ID 5 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6834 _NMR_spec_expt.ID 6 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6834 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(CA)CB _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6834 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HN(COCA)CB _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6834 _NMR_spec_expt.ID 9 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6834 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNCA-J _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6834 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '4D HC(CCO)NH-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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6834 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name 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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 6834 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name 'high-resolution 13C-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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 6834 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name 'RDC experiment in phage' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . 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 6834 _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 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6834 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6834 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6834 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6834 _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 . 6834 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 4 4 MET CA C 13 55.659 0.000 . 1 . . . . . . . . 6834 1 2 . 1 1 4 4 MET HA H 1 4.515 0.009 . 1 . . . . . . . . 6834 1 3 . 1 1 4 4 MET CB C 13 32.875 0.000 . 1 . . . . . . . . 6834 1 4 . 1 1 4 4 MET HB2 H 1 1.985 0.007 . 2 . . . . . . . . 6834 1 5 . 1 1 4 4 MET HB3 H 1 2.095 0.003 . 2 . . . . . . . . 6834 1 6 . 1 1 4 4 MET CG C 13 31.915 0.017 . 1 . . . . . . . . 6834 1 7 . 1 1 4 4 MET HG2 H 1 2.466 0.003 . 2 . . . . . . . . 6834 1 8 . 1 1 4 4 MET HG3 H 1 2.542 0.007 . 2 . . . . . . . . 6834 1 9 . 1 1 5 5 THR H H 1 8.156 0.013 . 1 . . . . . . . . 6834 1 10 . 1 1 5 5 THR N N 15 115.546 0.042 . 1 . . . . . . . . 6834 1 11 . 1 1 5 5 THR CA C 13 61.765 0.003 . 1 . . . . . . . . 6834 1 12 . 1 1 5 5 THR HA H 1 4.340 0.000 . 1 . . . . . . . . 6834 1 13 . 1 1 5 5 THR CB C 13 69.783 0.016 . 1 . . . . . . . . 6834 1 14 . 1 1 5 5 THR HB H 1 4.244 0.000 . 1 . . . . . . . . 6834 1 15 . 1 1 5 5 THR CG2 C 13 21.497 0.048 . 1 . . . . . . . . 6834 1 16 . 1 1 5 5 THR HG21 H 1 1.213 0.002 . 1 . . . . . . . . 6834 1 17 . 1 1 5 5 THR HG22 H 1 1.213 0.002 . 1 . . . . . . . . 6834 1 18 . 1 1 5 5 THR HG23 H 1 1.213 0.002 . 1 . . . . . . . . 6834 1 19 . 1 1 6 6 ALA H H 1 8.382 0.003 . 1 . . . . . . . . 6834 1 20 . 1 1 6 6 ALA N N 15 126.359 0.039 . 1 . . . . . . . . 6834 1 21 . 1 1 6 6 ALA CA C 13 52.490 0.046 . 1 . . . . . . . . 6834 1 22 . 1 1 6 6 ALA HA H 1 4.336 0.000 . 1 . . . . . . . . 6834 1 23 . 1 1 6 6 ALA CB C 13 19.257 0.021 . 1 . . . . . . . . 6834 1 24 . 1 1 6 6 ALA HB1 H 1 1.399 0.001 . 1 . . . . . . . . 6834 1 25 . 1 1 6 6 ALA HB2 H 1 1.399 0.001 . 1 . . . . . . . . 6834 1 26 . 1 1 6 6 ALA HB3 H 1 1.399 0.001 . 1 . . . . . . . . 6834 1 27 . 1 1 7 7 GLU H H 1 8.381 0.007 . 1 . . . . . . . . 6834 1 28 . 1 1 7 7 GLU N N 15 120.399 0.000 . 1 . . . . . . . . 6834 1 29 . 1 1 7 7 GLU CA C 13 56.654 0.009 . 1 . . . . . . . . 6834 1 30 . 1 1 7 7 GLU HA H 1 4.242 0.001 . 1 . . . . . . . . 6834 1 31 . 1 1 7 7 GLU CB C 13 30.198 0.006 . 1 . . . . . . . . 6834 1 32 . 1 1 7 7 GLU HB2 H 1 1.952 0.017 . 2 . . . . . . . . 6834 1 33 . 1 1 7 7 GLU HB3 H 1 2.059 0.014 . 2 . . . . . . . . 6834 1 34 . 1 1 7 7 GLU CG C 13 31.409 0.005 . 1 . . . . . . . . 6834 1 35 . 1 1 7 7 GLU HG2 H 1 2.262 0.000 . 1 . . . . . . . . 6834 1 36 . 1 1 7 7 GLU HG3 H 1 2.262 0.000 . 1 . . . . . . . . 6834 1 37 . 1 1 8 8 ALA H H 1 8.278 0.011 . 1 . . . . . . . . 6834 1 38 . 1 1 8 8 ALA N N 15 124.639 0.003 . 1 . . . . . . . . 6834 1 39 . 1 1 8 8 ALA CA C 13 52.408 0.000 . 1 . . . . . . . . 6834 1 40 . 1 1 8 8 ALA HA H 1 4.302 0.001 . 1 . . . . . . . . 6834 1 41 . 1 1 8 8 ALA CB C 13 19.274 0.000 . 1 . . . . . . . . 6834 1 42 . 1 1 8 8 ALA HB1 H 1 1.384 0.011 . 1 . . . . . . . . 6834 1 43 . 1 1 8 8 ALA HB2 H 1 1.384 0.011 . 1 . . . . . . . . 6834 1 44 . 1 1 8 8 ALA HB3 H 1 1.384 0.011 . 1 . . . . . . . . 6834 1 45 . 1 1 9 9 ASP H H 1 8.333 0.009 . 1 . . . . . . . . 6834 1 46 . 1 1 9 9 ASP N N 15 119.779 0.037 . 1 . . . . . . . . 6834 1 47 . 1 1 9 9 ASP CA C 13 54.185 0.036 . 1 . . . . . . . . 6834 1 48 . 1 1 9 9 ASP HA H 1 4.695 0.002 . 1 . . . . . . . . 6834 1 49 . 1 1 9 9 ASP CB C 13 41.147 0.015 . 1 . . . . . . . . 6834 1 50 . 1 1 9 9 ASP HB2 H 1 2.683 0.002 . 2 . . . . . . . . 6834 1 51 . 1 1 9 9 ASP HB3 H 1 2.775 0.000 . 2 . . . . . . . . 6834 1 52 . 1 1 10 10 THR H H 1 8.225 0.002 . 1 . . . . . . . . 6834 1 53 . 1 1 10 10 THR N N 15 114.899 0.034 . 1 . . . . . . . . 6834 1 54 . 1 1 10 10 THR CA C 13 61.950 0.055 . 1 . . . . . . . . 6834 1 55 . 1 1 10 10 THR HA H 1 4.379 0.004 . 1 . . . . . . . . 6834 1 56 . 1 1 10 10 THR CB C 13 69.265 0.029 . 1 . . . . . . . . 6834 1 57 . 1 1 10 10 THR HB H 1 4.414 0.004 . 1 . . . . . . . . 6834 1 58 . 1 1 10 10 THR CG2 C 13 21.455 0.000 . 1 . . . . . . . . 6834 1 59 . 1 1 10 10 THR HG21 H 1 1.210 0.000 . 1 . . . . . . . . 6834 1 60 . 1 1 10 10 THR HG22 H 1 1.210 0.000 . 1 . . . . . . . . 6834 1 61 . 1 1 10 10 THR HG23 H 1 1.210 0.000 . 1 . . . . . . . . 6834 1 62 . 1 1 11 11 SER H H 1 8.409 0.006 . 1 . . . . . . . . 6834 1 63 . 1 1 11 11 SER N N 15 118.276 0.003 . 1 . . . . . . . . 6834 1 64 . 1 1 11 11 SER CA C 13 59.349 0.035 . 1 . . . . . . . . 6834 1 65 . 1 1 11 11 SER HA H 1 4.424 0.000 . 1 . . . . . . . . 6834 1 66 . 1 1 11 11 SER CB C 13 63.646 0.014 . 1 . . . . . . . . 6834 1 67 . 1 1 11 11 SER HB2 H 1 3.915 0.000 . 1 . . . . . . . . 6834 1 68 . 1 1 11 11 SER HB3 H 1 3.915 0.000 . 1 . . . . . . . . 6834 1 69 . 1 1 12 12 SER H H 1 8.430 0.008 . 1 . . . . . . . . 6834 1 70 . 1 1 12 12 SER N N 15 118.917 0.000 . 1 . . . . . . . . 6834 1 71 . 1 1 12 12 SER CA C 13 58.632 0.027 . 1 . . . . . . . . 6834 1 72 . 1 1 12 12 SER HA H 1 4.424 0.009 . 1 . . . . . . . . 6834 1 73 . 1 1 12 12 SER CB C 13 63.718 0.021 . 1 . . . . . . . . 6834 1 74 . 1 1 12 12 SER HB2 H 1 4.013 0.006 . 2 . . . . . . . . 6834 1 75 . 1 1 12 12 SER HB3 H 1 4.179 0.004 . 2 . . . . . . . . 6834 1 76 . 1 1 13 13 GLU H H 1 8.585 0.008 . 1 . . . . . . . . 6834 1 77 . 1 1 13 13 GLU N N 15 122.544 0.043 . 1 . . . . . . . . 6834 1 78 . 1 1 13 13 GLU CA C 13 58.895 0.024 . 1 . . . . . . . . 6834 1 79 . 1 1 13 13 GLU HA H 1 4.141 0.002 . 1 . . . . . . . . 6834 1 80 . 1 1 13 13 GLU CB C 13 29.447 0.033 . 1 . . . . . . . . 6834 1 81 . 1 1 13 13 GLU HB2 H 1 2.106 0.007 . 1 . . . . . . . . 6834 1 82 . 1 1 13 13 GLU HB3 H 1 2.106 0.007 . 1 . . . . . . . . 6834 1 83 . 1 1 13 13 GLU CG C 13 36.179 0.046 . 1 . . . . . . . . 6834 1 84 . 1 1 13 13 GLU HG2 H 1 2.328 0.004 . 2 . . . . . . . . 6834 1 85 . 1 1 13 13 GLU HG3 H 1 2.369 0.019 . 2 . . . . . . . . 6834 1 86 . 1 1 14 14 LEU H H 1 8.228 0.013 . 1 . . . . . . . . 6834 1 87 . 1 1 14 14 LEU N N 15 120.413 0.035 . 1 . . . . . . . . 6834 1 88 . 1 1 14 14 LEU CA C 13 57.406 0.006 . 1 . . . . . . . . 6834 1 89 . 1 1 14 14 LEU HA H 1 4.195 0.011 . 1 . . . . . . . . 6834 1 90 . 1 1 14 14 LEU CB C 13 41.647 0.019 . 1 . . . . . . . . 6834 1 91 . 1 1 14 14 LEU HB2 H 1 1.630 0.005 . 2 . . . . . . . . 6834 1 92 . 1 1 14 14 LEU HB3 H 1 1.746 0.007 . 2 . . . . . . . . 6834 1 93 . 1 1 14 14 LEU CG C 13 27.405 0.000 . 1 . . . . . . . . 6834 1 94 . 1 1 14 14 LEU CD1 C 13 23.904 0.003 . 1 . . . . . . . . 6834 1 95 . 1 1 14 14 LEU HD11 H 1 0.917 0.004 . 1 . . . . . . . . 6834 1 96 . 1 1 14 14 LEU HD12 H 1 0.917 0.004 . 1 . . . . . . . . 6834 1 97 . 1 1 14 14 LEU HD13 H 1 0.917 0.004 . 1 . . . . . . . . 6834 1 98 . 1 1 14 14 LEU CD2 C 13 24.398 0.016 . 1 . . . . . . . . 6834 1 99 . 1 1 14 14 LEU HD21 H 1 0.973 0.004 . 1 . . . . . . . . 6834 1 100 . 1 1 14 14 LEU HD22 H 1 0.973 0.004 . 1 . . . . . . . . 6834 1 101 . 1 1 14 14 LEU HD23 H 1 0.973 0.004 . 1 . . . . . . . . 6834 1 102 . 1 1 14 14 LEU HG H 1 1.689 0.005 . 1 . . . . . . . . 6834 1 103 . 1 1 15 15 ALA H H 1 8.306 0.019 . 1 . . . . . . . . 6834 1 104 . 1 1 15 15 ALA N N 15 122.960 0.037 . 1 . . . . . . . . 6834 1 105 . 1 1 15 15 ALA CA C 13 54.921 0.031 . 1 . . . . . . . . 6834 1 106 . 1 1 15 15 ALA HA H 1 3.960 0.005 . 1 . . . . . . . . 6834 1 107 . 1 1 15 15 ALA CB C 13 18.377 0.050 . 1 . . . . . . . . 6834 1 108 . 1 1 15 15 ALA HB1 H 1 1.495 0.000 . 1 . . . . . . . . 6834 1 109 . 1 1 15 15 ALA HB2 H 1 1.495 0.000 . 1 . . . . . . . . 6834 1 110 . 1 1 15 15 ALA HB3 H 1 1.495 0.000 . 1 . . . . . . . . 6834 1 111 . 1 1 16 16 LYS H H 1 7.996 0.018 . 1 . . . . . . . . 6834 1 112 . 1 1 16 16 LYS N N 15 118.493 0.009 . 1 . . . . . . . . 6834 1 113 . 1 1 16 16 LYS CA C 13 59.436 0.000 . 1 . . . . . . . . 6834 1 114 . 1 1 16 16 LYS HA H 1 3.999 0.000 . 1 . . . . . . . . 6834 1 115 . 1 1 17 17 LYS H H 1 8.124 0.012 . 1 . . . . . . . . 6834 1 116 . 1 1 17 17 LYS N N 15 120.389 0.022 . 1 . . . . . . . . 6834 1 117 . 1 1 17 17 LYS CA C 13 58.848 0.000 . 1 . . . . . . . . 6834 1 118 . 1 1 17 17 LYS HA H 1 4.195 0.002 . 1 . . . . . . . . 6834 1 119 . 1 1 17 17 LYS CB C 13 32.144 0.000 . 1 . . . . . . . . 6834 1 120 . 1 1 17 17 LYS HB2 H 1 2.002 0.002 . 1 . . . . . . . . 6834 1 121 . 1 1 17 17 LYS HB3 H 1 2.002 0.002 . 1 . . . . . . . . 6834 1 122 . 1 1 17 17 LYS CG C 13 24.884 0.026 . 1 . . . . . . . . 6834 1 123 . 1 1 17 17 LYS HG2 H 1 1.519 0.007 . 2 . . . . . . . . 6834 1 124 . 1 1 17 17 LYS HG3 H 1 1.612 0.002 . 2 . . . . . . . . 6834 1 125 . 1 1 17 17 LYS CD C 13 28.961 0.039 . 1 . . . . . . . . 6834 1 126 . 1 1 17 17 LYS HD2 H 1 1.731 0.002 . 1 . . . . . . . . 6834 1 127 . 1 1 17 17 LYS HD3 H 1 1.731 0.002 . 1 . . . . . . . . 6834 1 128 . 1 1 17 17 LYS CE C 13 41.872 0.025 . 1 . . . . . . . . 6834 1 129 . 1 1 17 17 LYS HE2 H 1 2.980 0.006 . 1 . . . . . . . . 6834 1 130 . 1 1 17 17 LYS HE3 H 1 2.980 0.006 . 1 . . . . . . . . 6834 1 131 . 1 1 18 18 SER H H 1 8.454 0.010 . 1 . . . . . . . . 6834 1 132 . 1 1 18 18 SER N N 15 115.111 0.035 . 1 . . . . . . . . 6834 1 133 . 1 1 18 18 SER CA C 13 61.273 0.002 . 1 . . . . . . . . 6834 1 134 . 1 1 18 18 SER HA H 1 4.331 0.003 . 1 . . . . . . . . 6834 1 135 . 1 1 18 18 SER CB C 13 62.921 0.010 . 1 . . . . . . . . 6834 1 136 . 1 1 18 18 SER HB2 H 1 4.049 0.006 . 1 . . . . . . . . 6834 1 137 . 1 1 18 18 SER HB3 H 1 4.049 0.006 . 1 . . . . . . . . 6834 1 138 . 1 1 19 19 LYS H H 1 8.215 0.005 . 1 . . . . . . . . 6834 1 139 . 1 1 19 19 LYS N N 15 122.085 0.022 . 1 . . . . . . . . 6834 1 140 . 1 1 19 19 LYS CA C 13 60.303 0.001 . 1 . . . . . . . . 6834 1 141 . 1 1 19 19 LYS HA H 1 4.003 0.004 . 1 . . . . . . . . 6834 1 142 . 1 1 19 19 LYS CB C 13 32.387 0.000 . 1 . . . . . . . . 6834 1 143 . 1 1 19 19 LYS HB2 H 1 1.929 0.006 . 1 . . . . . . . . 6834 1 144 . 1 1 19 19 LYS HB3 H 1 1.929 0.006 . 1 . . . . . . . . 6834 1 145 . 1 1 19 19 LYS CG C 13 26.049 0.051 . 1 . . . . . . . . 6834 1 146 . 1 1 19 19 LYS HG2 H 1 1.336 0.003 . 1 . . . . . . . . 6834 1 147 . 1 1 19 19 LYS HG3 H 1 1.621 0.055 . 1 . . . . . . . . 6834 1 148 . 1 1 19 19 LYS CD C 13 29.706 0.022 . 1 . . . . . . . . 6834 1 149 . 1 1 19 19 LYS HD2 H 1 1.698 0.010 . 1 . . . . . . . . 6834 1 150 . 1 1 19 19 LYS HD3 H 1 1.698 0.010 . 1 . . . . . . . . 6834 1 151 . 1 1 19 19 LYS CE C 13 41.619 0.017 . 1 . . . . . . . . 6834 1 152 . 1 1 19 19 LYS HE2 H 1 2.873 0.007 . 1 . . . . . . . . 6834 1 153 . 1 1 19 19 LYS HE3 H 1 2.873 0.007 . 1 . . . . . . . . 6834 1 154 . 1 1 20 20 GLU H H 1 7.978 0.015 . 1 . . . . . . . . 6834 1 155 . 1 1 20 20 GLU N N 15 119.995 0.040 . 1 . . . . . . . . 6834 1 156 . 1 1 20 20 GLU CA C 13 59.145 0.028 . 1 . . . . . . . . 6834 1 157 . 1 1 20 20 GLU HA H 1 4.231 0.002 . 1 . . . . . . . . 6834 1 158 . 1 1 20 20 GLU CB C 13 29.181 0.043 . 1 . . . . . . . . 6834 1 159 . 1 1 20 20 GLU HB2 H 1 2.175 0.004 . 2 . . . . . . . . 6834 1 160 . 1 1 20 20 GLU HB3 H 1 2.247 0.003 . 2 . . . . . . . . 6834 1 161 . 1 1 20 20 GLU CG C 13 36.026 0.000 . 1 . . . . . . . . 6834 1 162 . 1 1 20 20 GLU HG2 H 1 2.396 0.003 . 1 . . . . . . . . 6834 1 163 . 1 1 20 20 GLU HG3 H 1 2.396 0.003 . 1 . . . . . . . . 6834 1 164 . 1 1 21 21 VAL H H 1 8.368 0.007 . 1 . . . . . . . . 6834 1 165 . 1 1 21 21 VAL N N 15 120.607 0.009 . 1 . . . . . . . . 6834 1 166 . 1 1 21 21 VAL CA C 13 66.634 0.022 . 1 . . . . . . . . 6834 1 167 . 1 1 21 21 VAL HA H 1 3.729 0.011 . 1 . . . . . . . . 6834 1 168 . 1 1 21 21 VAL CB C 13 31.906 0.000 . 1 . . . . . . . . 6834 1 169 . 1 1 21 21 VAL HB H 1 2.161 0.003 . 1 . . . . . . . . 6834 1 170 . 1 1 21 21 VAL CG1 C 13 21.248 0.048 . 1 . . . . . . . . 6834 1 171 . 1 1 21 21 VAL HG11 H 1 1.063 0.001 . 1 . . . . . . . . 6834 1 172 . 1 1 21 21 VAL HG12 H 1 1.063 0.001 . 1 . . . . . . . . 6834 1 173 . 1 1 21 21 VAL HG13 H 1 1.063 0.001 . 1 . . . . . . . . 6834 1 174 . 1 1 21 21 VAL CG2 C 13 22.890 0.025 . 1 . . . . . . . . 6834 1 175 . 1 1 21 21 VAL HG21 H 1 1.162 0.006 . 1 . . . . . . . . 6834 1 176 . 1 1 21 21 VAL HG22 H 1 1.162 0.006 . 1 . . . . . . . . 6834 1 177 . 1 1 21 21 VAL HG23 H 1 1.162 0.006 . 1 . . . . . . . . 6834 1 178 . 1 1 22 22 PHE H H 1 8.106 0.005 . 1 . . . . . . . . 6834 1 179 . 1 1 22 22 PHE N N 15 119.983 0.022 . 1 . . . . . . . . 6834 1 180 . 1 1 22 22 PHE CA C 13 61.730 0.048 . 1 . . . . . . . . 6834 1 181 . 1 1 22 22 PHE HA H 1 4.104 0.001 . 1 . . . . . . . . 6834 1 182 . 1 1 22 22 PHE CB C 13 39.656 0.030 . 1 . . . . . . . . 6834 1 183 . 1 1 22 22 PHE HB2 H 1 3.138 0.003 . 2 . . . . . . . . 6834 1 184 . 1 1 22 22 PHE HB3 H 1 3.219 0.002 . 2 . . . . . . . . 6834 1 185 . 1 1 22 22 PHE CD1 C 13 132.398 0.000 . 1 . . . . . . . . 6834 1 186 . 1 1 22 22 PHE HD1 H 1 7.035 0.002 . 1 . . . . . . . . 6834 1 187 . 1 1 22 22 PHE CD2 C 13 132.398 0.000 . 1 . . . . . . . . 6834 1 188 . 1 1 22 22 PHE HD2 H 1 7.035 0.002 . 1 . . . . . . . . 6834 1 189 . 1 1 22 22 PHE CE1 C 13 129.679 0.000 . 1 . . . . . . . . 6834 1 190 . 1 1 22 22 PHE HE1 H 1 7.064 0.000 . 1 . . . . . . . . 6834 1 191 . 1 1 22 22 PHE CE2 C 13 129.679 0.000 . 1 . . . . . . . . 6834 1 192 . 1 1 22 22 PHE HE2 H 1 7.064 0.000 . 1 . . . . . . . . 6834 1 193 . 1 1 22 22 PHE CZ C 13 128.708 0.000 . 1 . . . . . . . . 6834 1 194 . 1 1 22 22 PHE HZ H 1 6.973 0.018 . 1 . . . . . . . . 6834 1 195 . 1 1 23 23 ARG H H 1 8.748 0.007 . 1 . . . . . . . . 6834 1 196 . 1 1 23 23 ARG N N 15 118.484 0.017 . 1 . . . . . . . . 6834 1 197 . 1 1 23 23 ARG CA C 13 60.298 0.017 . 1 . . . . . . . . 6834 1 198 . 1 1 23 23 ARG HA H 1 3.767 0.007 . 1 . . . . . . . . 6834 1 199 . 1 1 23 23 ARG CB C 13 30.189 0.021 . 1 . . . . . . . . 6834 1 200 . 1 1 23 23 ARG HB2 H 1 2.027 0.006 . 1 . . . . . . . . 6834 1 201 . 1 1 23 23 ARG HB3 H 1 2.027 0.006 . 1 . . . . . . . . 6834 1 202 . 1 1 23 23 ARG CG C 13 27.535 0.001 . 1 . . . . . . . . 6834 1 203 . 1 1 23 23 ARG HG2 H 1 1.607 0.002 . 2 . . . . . . . . 6834 1 204 . 1 1 23 23 ARG HG3 H 1 1.694 0.009 . 2 . . . . . . . . 6834 1 205 . 1 1 23 23 ARG CD C 13 43.108 0.042 . 1 . . . . . . . . 6834 1 206 . 1 1 23 23 ARG HD2 H 1 3.219 0.006 . 2 . . . . . . . . 6834 1 207 . 1 1 23 23 ARG HD3 H 1 3.300 0.009 . 2 . . . . . . . . 6834 1 208 . 1 1 24 24 LYS H H 1 8.112 0.008 . 1 . . . . . . . . 6834 1 209 . 1 1 24 24 LYS N N 15 120.601 0.022 . 1 . . . . . . . . 6834 1 210 . 1 1 24 24 LYS CA C 13 60.027 0.093 . 1 . . . . . . . . 6834 1 211 . 1 1 24 24 LYS HA H 1 4.010 0.003 . 1 . . . . . . . . 6834 1 212 . 1 1 24 24 LYS CB C 13 32.393 0.009 . 1 . . . . . . . . 6834 1 213 . 1 1 24 24 LYS HB2 H 1 2.029 0.006 . 1 . . . . . . . . 6834 1 214 . 1 1 24 24 LYS HB3 H 1 2.029 0.006 . 1 . . . . . . . . 6834 1 215 . 1 1 24 24 LYS CG C 13 25.107 0.002 . 1 . . . . . . . . 6834 1 216 . 1 1 24 24 LYS HG2 H 1 1.633 0.006 . 1 . . . . . . . . 6834 1 217 . 1 1 24 24 LYS HG3 H 1 1.633 0.006 . 1 . . . . . . . . 6834 1 218 . 1 1 24 24 LYS CD C 13 29.198 0.041 . 1 . . . . . . . . 6834 1 219 . 1 1 24 24 LYS HD2 H 1 1.743 0.008 . 1 . . . . . . . . 6834 1 220 . 1 1 24 24 LYS HD3 H 1 1.743 0.008 . 1 . . . . . . . . 6834 1 221 . 1 1 24 24 LYS CE C 13 41.875 0.026 . 1 . . . . . . . . 6834 1 222 . 1 1 24 24 LYS HE2 H 1 3.011 0.004 . 1 . . . . . . . . 6834 1 223 . 1 1 24 24 LYS HE3 H 1 3.011 0.004 . 1 . . . . . . . . 6834 1 224 . 1 1 25 25 GLU H H 1 8.335 0.004 . 1 . . . . . . . . 6834 1 225 . 1 1 25 25 GLU N N 15 119.354 0.037 . 1 . . . . . . . . 6834 1 226 . 1 1 25 25 GLU CA C 13 59.329 0.006 . 1 . . . . . . . . 6834 1 227 . 1 1 25 25 GLU HA H 1 4.057 0.006 . 1 . . . . . . . . 6834 1 228 . 1 1 25 25 GLU CB C 13 29.959 0.000 . 1 . . . . . . . . 6834 1 229 . 1 1 25 25 GLU HB2 H 1 2.007 0.005 . 1 . . . . . . . . 6834 1 230 . 1 1 25 25 GLU HB3 H 1 2.007 0.005 . 1 . . . . . . . . 6834 1 231 . 1 1 25 25 GLU CG C 13 36.514 0.000 . 1 . . . . . . . . 6834 1 232 . 1 1 25 25 GLU HG2 H 1 2.288 0.007 . 2 . . . . . . . . 6834 1 233 . 1 1 25 25 GLU HG3 H 1 2.466 0.003 . 2 . . . . . . . . 6834 1 234 . 1 1 26 26 MET H H 1 9.299 0.008 . 1 . . . . . . . . 6834 1 235 . 1 1 26 26 MET N N 15 119.752 0.022 . 1 . . . . . . . . 6834 1 236 . 1 1 26 26 MET CA C 13 56.434 0.040 . 1 . . . . . . . . 6834 1 237 . 1 1 26 26 MET HA H 1 4.524 0.002 . 1 . . . . . . . . 6834 1 238 . 1 1 26 26 MET CB C 13 30.934 0.003 . 1 . . . . . . . . 6834 1 239 . 1 1 26 26 MET HB2 H 1 1.412 0.002 . 2 . . . . . . . . 6834 1 240 . 1 1 26 26 MET HB3 H 1 1.802 0.002 . 2 . . . . . . . . 6834 1 241 . 1 1 26 26 MET CG C 13 32.132 0.030 . 1 . . . . . . . . 6834 1 242 . 1 1 26 26 MET HG2 H 1 2.272 0.002 . 2 . . . . . . . . 6834 1 243 . 1 1 26 26 MET HG3 H 1 2.310 0.003 . 2 . . . . . . . . 6834 1 244 . 1 1 27 27 SER H H 1 8.534 0.007 . 1 . . . . . . . . 6834 1 245 . 1 1 27 27 SER N N 15 115.304 0.014 . 1 . . . . . . . . 6834 1 246 . 1 1 27 27 SER CA C 13 61.971 0.043 . 1 . . . . . . . . 6834 1 247 . 1 1 27 27 SER HA H 1 4.193 0.000 . 1 . . . . . . . . 6834 1 248 . 1 1 27 27 SER CB C 13 62.684 0.034 . 1 . . . . . . . . 6834 1 249 . 1 1 27 27 SER HB2 H 1 4.037 0.006 . 1 . . . . . . . . 6834 1 250 . 1 1 27 27 SER HB3 H 1 4.037 0.006 . 1 . . . . . . . . 6834 1 251 . 1 1 28 28 GLN H H 1 7.339 0.006 . 1 . . . . . . . . 6834 1 252 . 1 1 28 28 GLN N N 15 118.913 0.002 . 1 . . . . . . . . 6834 1 253 . 1 1 28 28 GLN CA C 13 58.637 0.027 . 1 . . . . . . . . 6834 1 254 . 1 1 28 28 GLN HA H 1 4.099 0.004 . 1 . . . . . . . . 6834 1 255 . 1 1 28 28 GLN CB C 13 28.455 0.049 . 1 . . . . . . . . 6834 1 256 . 1 1 28 28 GLN HB2 H 1 2.259 0.001 . 1 . . . . . . . . 6834 1 257 . 1 1 28 28 GLN HB3 H 1 2.259 0.001 . 1 . . . . . . . . 6834 1 258 . 1 1 28 28 GLN CG C 13 34.106 0.042 . 1 . . . . . . . . 6834 1 259 . 1 1 28 28 GLN HG2 H 1 2.478 0.004 . 2 . . . . . . . . 6834 1 260 . 1 1 28 28 GLN HG3 H 1 2.629 0.001 . 2 . . . . . . . . 6834 1 261 . 1 1 29 29 PHE H H 1 8.002 0.006 . 1 . . . . . . . . 6834 1 262 . 1 1 29 29 PHE N N 15 121.670 0.002 . 1 . . . . . . . . 6834 1 263 . 1 1 29 29 PHE CA C 13 61.731 0.040 . 1 . . . . . . . . 6834 1 264 . 1 1 29 29 PHE HA H 1 4.338 0.002 . 1 . . . . . . . . 6834 1 265 . 1 1 29 29 PHE CB C 13 38.924 0.017 . 1 . . . . . . . . 6834 1 266 . 1 1 29 29 PHE HB2 H 1 3.254 0.001 . 1 . . . . . . . . 6834 1 267 . 1 1 29 29 PHE HB3 H 1 3.254 0.001 . 1 . . . . . . . . 6834 1 268 . 1 1 29 29 PHE CD1 C 13 130.942 0.000 . 1 . . . . . . . . 6834 1 269 . 1 1 29 29 PHE HD1 H 1 7.243 0.011 . 1 . . . . . . . . 6834 1 270 . 1 1 29 29 PHE CD2 C 13 130.942 0.000 . 1 . . . . . . . . 6834 1 271 . 1 1 29 29 PHE HD2 H 1 7.243 0.011 . 1 . . . . . . . . 6834 1 272 . 1 1 29 29 PHE CE1 C 13 132.010 0.000 . 1 . . . . . . . . 6834 1 273 . 1 1 29 29 PHE HE1 H 1 7.345 0.000 . 1 . . . . . . . . 6834 1 274 . 1 1 29 29 PHE CE2 C 13 132.010 0.000 . 1 . . . . . . . . 6834 1 275 . 1 1 29 29 PHE HE2 H 1 7.345 0.000 . 1 . . . . . . . . 6834 1 276 . 1 1 29 29 PHE CZ C 13 130.359 0.000 . 1 . . . . . . . . 6834 1 277 . 1 1 29 29 PHE HZ H 1 7.191 0.007 . 1 . . . . . . . . 6834 1 278 . 1 1 30 30 ILE H H 1 9.022 0.009 . 1 . . . . . . . . 6834 1 279 . 1 1 30 30 ILE N N 15 121.683 0.033 . 1 . . . . . . . . 6834 1 280 . 1 1 30 30 ILE CA C 13 66.152 0.038 . 1 . . . . . . . . 6834 1 281 . 1 1 30 30 ILE HA H 1 3.276 0.011 . 1 . . . . . . . . 6834 1 282 . 1 1 30 30 ILE CB C 13 36.937 0.047 . 1 . . . . . . . . 6834 1 283 . 1 1 30 30 ILE HB H 1 2.022 0.006 . 1 . . . . . . . . 6834 1 284 . 1 1 30 30 ILE CG2 C 13 17.124 0.030 . 1 . . . . . . . . 6834 1 285 . 1 1 30 30 ILE HG21 H 1 0.788 0.004 . 1 . . . . . . . . 6834 1 286 . 1 1 30 30 ILE HG22 H 1 0.788 0.004 . 1 . . . . . . . . 6834 1 287 . 1 1 30 30 ILE HG23 H 1 0.788 0.004 . 1 . . . . . . . . 6834 1 288 . 1 1 30 30 ILE CG1 C 13 30.918 0.015 . 1 . . . . . . . . 6834 1 289 . 1 1 30 30 ILE HG12 H 1 1.047 0.009 . 2 . . . . . . . . 6834 1 290 . 1 1 30 30 ILE HG13 H 1 2.005 0.005 . 2 . . . . . . . . 6834 1 291 . 1 1 30 30 ILE CD1 C 13 13.687 0.015 . 1 . . . . . . . . 6834 1 292 . 1 1 30 30 ILE HD11 H 1 0.836 0.006 . 1 . . . . . . . . 6834 1 293 . 1 1 30 30 ILE HD12 H 1 0.836 0.006 . 1 . . . . . . . . 6834 1 294 . 1 1 30 30 ILE HD13 H 1 0.836 0.006 . 1 . . . . . . . . 6834 1 295 . 1 1 31 31 VAL H H 1 7.860 0.004 . 1 . . . . . . . . 6834 1 296 . 1 1 31 31 VAL N N 15 119.351 0.032 . 1 . . . . . . . . 6834 1 297 . 1 1 31 31 VAL CA C 13 68.073 0.000 . 1 . . . . . . . . 6834 1 298 . 1 1 31 31 VAL HA H 1 3.482 0.002 . 1 . . . . . . . . 6834 1 299 . 1 1 31 31 VAL CB C 13 31.667 0.018 . 1 . . . . . . . . 6834 1 300 . 1 1 31 31 VAL HB H 1 2.298 0.005 . 1 . . . . . . . . 6834 1 301 . 1 1 31 31 VAL CG1 C 13 21.171 0.028 . 1 . . . . . . . . 6834 1 302 . 1 1 31 31 VAL HG11 H 1 1.118 0.005 . 1 . . . . . . . . 6834 1 303 . 1 1 31 31 VAL HG12 H 1 1.118 0.005 . 1 . . . . . . . . 6834 1 304 . 1 1 31 31 VAL HG13 H 1 1.118 0.005 . 1 . . . . . . . . 6834 1 305 . 1 1 31 31 VAL CG2 C 13 23.411 0.011 . 1 . . . . . . . . 6834 1 306 . 1 1 31 31 VAL HG21 H 1 1.125 0.002 . 1 . . . . . . . . 6834 1 307 . 1 1 31 31 VAL HG22 H 1 1.125 0.002 . 1 . . . . . . . . 6834 1 308 . 1 1 31 31 VAL HG23 H 1 1.125 0.002 . 1 . . . . . . . . 6834 1 309 . 1 1 32 32 GLN H H 1 7.512 0.013 . 1 . . . . . . . . 6834 1 310 . 1 1 32 32 GLN N N 15 117.422 0.020 . 1 . . . . . . . . 6834 1 311 . 1 1 32 32 GLN CA C 13 59.096 0.004 . 1 . . . . . . . . 6834 1 312 . 1 1 32 32 GLN HA H 1 4.124 0.000 . 1 . . . . . . . . 6834 1 313 . 1 1 32 32 GLN CB C 13 28.029 0.028 . 1 . . . . . . . . 6834 1 314 . 1 1 32 32 GLN HB2 H 1 2.154 0.003 . 2 . . . . . . . . 6834 1 315 . 1 1 32 32 GLN HB3 H 1 2.268 0.002 . 2 . . . . . . . . 6834 1 316 . 1 1 32 32 GLN CG C 13 33.858 0.030 . 1 . . . . . . . . 6834 1 317 . 1 1 32 32 GLN HG2 H 1 2.432 0.003 . 2 . . . . . . . . 6834 1 318 . 1 1 32 32 GLN HG3 H 1 2.546 0.002 . 2 . . . . . . . . 6834 1 319 . 1 1 33 33 CYS H H 1 7.985 0.012 . 1 . . . . . . . . 6834 1 320 . 1 1 33 33 CYS N N 15 116.370 0.000 . 1 . . . . . . . . 6834 1 321 . 1 1 33 33 CYS CA C 13 62.646 0.019 . 1 . . . . . . . . 6834 1 322 . 1 1 33 33 CYS HA H 1 4.048 0.002 . 1 . . . . . . . . 6834 1 323 . 1 1 33 33 CYS CB C 13 28.029 0.028 . 1 . . . . . . . . 6834 1 324 . 1 1 33 33 CYS HB2 H 1 2.585 0.000 . 2 . . . . . . . . 6834 1 325 . 1 1 33 33 CYS HB3 H 1 3.013 0.000 . 2 . . . . . . . . 6834 1 326 . 1 1 34 34 LEU H H 1 8.181 0.009 . 1 . . . . . . . . 6834 1 327 . 1 1 34 34 LEU N N 15 116.807 0.032 . 1 . . . . . . . . 6834 1 328 . 1 1 34 34 LEU CA C 13 55.187 0.031 . 1 . . . . . . . . 6834 1 329 . 1 1 34 34 LEU HA H 1 4.689 0.004 . 1 . . . . . . . . 6834 1 330 . 1 1 34 34 LEU CB C 13 44.271 0.029 . 1 . . . . . . . . 6834 1 331 . 1 1 34 34 LEU HB2 H 1 1.377 0.080 . 2 . . . . . . . . 6834 1 332 . 1 1 34 34 LEU HB3 H 1 1.839 0.007 . 2 . . . . . . . . 6834 1 333 . 1 1 34 34 LEU CG C 13 26.405 0.000 . 1 . . . . . . . . 6834 1 334 . 1 1 34 34 LEU CD1 C 13 25.120 0.030 . 1 . . . . . . . . 6834 1 335 . 1 1 34 34 LEU HD11 H 1 0.317 0.002 . 1 . . . . . . . . 6834 1 336 . 1 1 34 34 LEU HD12 H 1 0.317 0.002 . 1 . . . . . . . . 6834 1 337 . 1 1 34 34 LEU HD13 H 1 0.317 0.002 . 1 . . . . . . . . 6834 1 338 . 1 1 34 34 LEU CD2 C 13 22.176 0.018 . 1 . . . . . . . . 6834 1 339 . 1 1 34 34 LEU HD21 H 1 0.464 0.009 . 1 . . . . . . . . 6834 1 340 . 1 1 34 34 LEU HD22 H 1 0.464 0.009 . 1 . . . . . . . . 6834 1 341 . 1 1 34 34 LEU HD23 H 1 0.464 0.009 . 1 . . . . . . . . 6834 1 342 . 1 1 34 34 LEU HG H 1 1.715 0.008 . 1 . . . . . . . . 6834 1 343 . 1 1 35 35 ASN H H 1 8.103 0.005 . 1 . . . . . . . . 6834 1 344 . 1 1 35 35 ASN N N 15 120.612 0.001 . 1 . . . . . . . . 6834 1 345 . 1 1 35 35 ASN CA C 13 57.876 0.032 . 1 . . . . . . . . 6834 1 346 . 1 1 35 35 ASN HA H 1 4.738 0.003 . 1 . . . . . . . . 6834 1 347 . 1 1 35 35 ASN CB C 13 36.488 0.041 . 1 . . . . . . . . 6834 1 348 . 1 1 35 35 ASN HB2 H 1 2.805 0.007 . 2 . . . . . . . . 6834 1 349 . 1 1 35 35 ASN HB3 H 1 3.063 0.007 . 2 . . . . . . . . 6834 1 350 . 1 1 35 35 ASN ND2 N 15 110.642 0.004 . 1 . . . . . . . . 6834 1 351 . 1 1 35 35 ASN HD21 H 1 6.807 0.007 . 2 . . . . . . . . 6834 1 352 . 1 1 35 35 ASN HD22 H 1 7.514 0.004 . 2 . . . . . . . . 6834 1 353 . 1 1 36 36 PRO CA C 13 66.131 0.022 . 1 . . . . . . . . 6834 1 354 . 1 1 36 36 PRO HA H 1 4.262 0.003 . 1 . . . . . . . . 6834 1 355 . 1 1 36 36 PRO CB C 13 31.177 0.024 . 1 . . . . . . . . 6834 1 356 . 1 1 36 36 PRO HB2 H 1 1.409 0.003 . 2 . . . . . . . . 6834 1 357 . 1 1 36 36 PRO HB3 H 1 2.274 0.004 . 2 . . . . . . . . 6834 1 358 . 1 1 36 36 PRO CG C 13 28.164 0.019 . 1 . . . . . . . . 6834 1 359 . 1 1 36 36 PRO HG2 H 1 1.979 0.004 . 1 . . . . . . . . 6834 1 360 . 1 1 36 36 PRO HG3 H 1 1.979 0.004 . 1 . . . . . . . . 6834 1 361 . 1 1 36 36 PRO CD C 13 50.846 0.026 . 1 . . . . . . . . 6834 1 362 . 1 1 36 36 PRO HD2 H 1 3.693 0.005 . 2 . . . . . . . . 6834 1 363 . 1 1 36 36 PRO HD3 H 1 3.799 0.004 . 2 . . . . . . . . 6834 1 364 . 1 1 37 37 TYR H H 1 8.001 0.001 . 1 . . . . . . . . 6834 1 365 . 1 1 37 37 TYR N N 15 114.698 0.042 . 1 . . . . . . . . 6834 1 366 . 1 1 37 37 TYR CA C 13 59.353 0.036 . 1 . . . . . . . . 6834 1 367 . 1 1 37 37 TYR HA H 1 5.085 0.002 . 1 . . . . . . . . 6834 1 368 . 1 1 37 37 TYR CB C 13 36.024 0.014 . 1 . . . . . . . . 6834 1 369 . 1 1 37 37 TYR HB2 H 1 3.202 0.003 . 2 . . . . . . . . 6834 1 370 . 1 1 37 37 TYR HB3 H 1 3.726 0.001 . 2 . . . . . . . . 6834 1 371 . 1 1 37 37 TYR CD1 C 13 134.243 0.000 . 1 . . . . . . . . 6834 1 372 . 1 1 37 37 TYR HD1 H 1 7.568 0.009 . 1 . . . . . . . . 6834 1 373 . 1 1 37 37 TYR CD2 C 13 134.243 0.000 . 1 . . . . . . . . 6834 1 374 . 1 1 37 37 TYR HD2 H 1 7.568 0.009 . 1 . . . . . . . . 6834 1 375 . 1 1 37 37 TYR CE1 C 13 117.347 0.000 . 1 . . . . . . . . 6834 1 376 . 1 1 37 37 TYR HE1 H 1 6.807 0.006 . 1 . . . . . . . . 6834 1 377 . 1 1 37 37 TYR CE2 C 13 117.347 0.000 . 1 . . . . . . . . 6834 1 378 . 1 1 37 37 TYR HE2 H 1 6.807 0.006 . 1 . . . . . . . . 6834 1 379 . 1 1 38 38 ARG H H 1 7.926 0.012 . 1 . . . . . . . . 6834 1 380 . 1 1 38 38 ARG N N 15 115.722 0.025 . 1 . . . . . . . . 6834 1 381 . 1 1 38 38 ARG CA C 13 55.185 0.028 . 1 . . . . . . . . 6834 1 382 . 1 1 38 38 ARG HA H 1 4.859 0.003 . 1 . . . . . . . . 6834 1 383 . 1 1 38 38 ARG CB C 13 30.934 0.020 . 1 . . . . . . . . 6834 1 384 . 1 1 38 38 ARG HB2 H 1 1.875 0.006 . 2 . . . . . . . . 6834 1 385 . 1 1 38 38 ARG HB3 H 1 2.058 0.002 . 2 . . . . . . . . 6834 1 386 . 1 1 38 38 ARG CG C 13 27.317 0.049 . 1 . . . . . . . . 6834 1 387 . 1 1 38 38 ARG HG2 H 1 1.527 0.007 . 2 . . . . . . . . 6834 1 388 . 1 1 38 38 ARG HG3 H 1 1.843 0.003 . 2 . . . . . . . . 6834 1 389 . 1 1 38 38 ARG CD C 13 43.064 0.012 . 1 . . . . . . . . 6834 1 390 . 1 1 38 38 ARG HD2 H 1 2.649 0.009 . 2 . . . . . . . . 6834 1 391 . 1 1 38 38 ARG HD3 H 1 2.824 0.004 . 2 . . . . . . . . 6834 1 392 . 1 1 39 39 LYS H H 1 7.163 0.011 . 1 . . . . . . . . 6834 1 393 . 1 1 39 39 LYS N N 15 120.610 0.003 . 1 . . . . . . . . 6834 1 394 . 1 1 39 39 LYS CA C 13 55.167 0.027 . 1 . . . . . . . . 6834 1 395 . 1 1 39 39 LYS HA H 1 4.393 0.000 . 1 . . . . . . . . 6834 1 396 . 1 1 39 39 LYS CB C 13 32.144 0.000 . 1 . . . . . . . . 6834 1 397 . 1 1 39 39 LYS HB2 H 1 1.757 0.006 . 2 . . . . . . . . 6834 1 398 . 1 1 39 39 LYS HB3 H 1 2.042 0.005 . 2 . . . . . . . . 6834 1 399 . 1 1 39 39 LYS CG C 13 25.590 0.000 . 1 . . . . . . . . 6834 1 400 . 1 1 39 39 LYS HG2 H 1 1.552 0.004 . 2 . . . . . . . . 6834 1 401 . 1 1 39 39 LYS HG3 H 1 1.731 0.002 . 2 . . . . . . . . 6834 1 402 . 1 1 39 39 LYS CD C 13 28.745 0.000 . 1 . . . . . . . . 6834 1 403 . 1 1 39 39 LYS HD2 H 1 1.763 0.004 . 1 . . . . . . . . 6834 1 404 . 1 1 39 39 LYS HD3 H 1 1.763 0.004 . 1 . . . . . . . . 6834 1 405 . 1 1 39 39 LYS HE2 H 1 3.007 0.007 . 1 . . . . . . . . 6834 1 406 . 1 1 39 39 LYS HE3 H 1 3.007 0.007 . 1 . . . . . . . . 6834 1 407 . 1 1 40 40 PRO CA C 13 64.667 0.007 . 1 . . . . . . . . 6834 1 408 . 1 1 40 40 PRO HA H 1 4.281 0.000 . 1 . . . . . . . . 6834 1 409 . 1 1 40 40 PRO CB C 13 31.891 0.057 . 1 . . . . . . . . 6834 1 410 . 1 1 40 40 PRO HB2 H 1 1.992 0.005 . 2 . . . . . . . . 6834 1 411 . 1 1 40 40 PRO HB3 H 1 2.368 0.010 . 2 . . . . . . . . 6834 1 412 . 1 1 40 40 PRO CG C 13 27.528 0.009 . 1 . . . . . . . . 6834 1 413 . 1 1 40 40 PRO HG2 H 1 2.079 0.005 . 1 . . . . . . . . 6834 1 414 . 1 1 40 40 PRO HG3 H 1 2.079 0.005 . 1 . . . . . . . . 6834 1 415 . 1 1 40 40 PRO CD C 13 50.622 0.041 . 1 . . . . . . . . 6834 1 416 . 1 1 40 40 PRO HD2 H 1 3.792 0.010 . 2 . . . . . . . . 6834 1 417 . 1 1 40 40 PRO HD3 H 1 3.903 0.015 . 2 . . . . . . . . 6834 1 418 . 1 1 41 41 ASP H H 1 8.002 0.005 . 1 . . . . . . . . 6834 1 419 . 1 1 41 41 ASP N N 15 112.763 0.004 . 1 . . . . . . . . 6834 1 420 . 1 1 41 41 ASP CA C 13 52.505 0.043 . 1 . . . . . . . . 6834 1 421 . 1 1 41 41 ASP HA H 1 4.514 0.004 . 1 . . . . . . . . 6834 1 422 . 1 1 41 41 ASP CB C 13 39.646 0.036 . 1 . . . . . . . . 6834 1 423 . 1 1 41 41 ASP HB2 H 1 2.563 0.015 . 2 . . . . . . . . 6834 1 424 . 1 1 41 41 ASP HB3 H 1 2.827 0.005 . 2 . . . . . . . . 6834 1 425 . 1 1 42 42 CYS H H 1 7.544 0.009 . 1 . . . . . . . . 6834 1 426 . 1 1 42 42 CYS N N 15 121.670 0.002 . 1 . . . . . . . . 6834 1 427 . 1 1 42 42 CYS CA C 13 60.273 0.044 . 1 . . . . . . . . 6834 1 428 . 1 1 42 42 CYS HA H 1 4.160 0.006 . 1 . . . . . . . . 6834 1 429 . 1 1 42 42 CYS CB C 13 26.328 0.025 . 1 . . . . . . . . 6834 1 430 . 1 1 42 42 CYS HB2 H 1 2.668 0.005 . 2 . . . . . . . . 6834 1 431 . 1 1 42 42 CYS HB3 H 1 3.009 0.005 . 2 . . . . . . . . 6834 1 432 . 1 1 43 43 LYS H H 1 9.045 0.003 . 1 . . . . . . . . 6834 1 433 . 1 1 43 43 LYS N N 15 129.749 0.041 . 1 . . . . . . . . 6834 1 434 . 1 1 43 43 LYS CA C 13 57.168 0.022 . 1 . . . . . . . . 6834 1 435 . 1 1 43 43 LYS HA H 1 4.439 0.006 . 1 . . . . . . . . 6834 1 436 . 1 1 43 43 LYS CB C 13 34.115 0.034 . 1 . . . . . . . . 6834 1 437 . 1 1 43 43 LYS HB2 H 1 1.856 0.008 . 2 . . . . . . . . 6834 1 438 . 1 1 43 43 LYS HB3 H 1 2.081 0.003 . 2 . . . . . . . . 6834 1 439 . 1 1 43 43 LYS CG C 13 24.867 0.015 . 1 . . . . . . . . 6834 1 440 . 1 1 43 43 LYS HG2 H 1 1.555 0.010 . 2 . . . . . . . . 6834 1 441 . 1 1 43 43 LYS HG3 H 1 1.651 0.004 . 2 . . . . . . . . 6834 1 442 . 1 1 43 43 LYS CD C 13 28.722 0.037 . 1 . . . . . . . . 6834 1 443 . 1 1 43 43 LYS HD2 H 1 1.707 0.003 . 1 . . . . . . . . 6834 1 444 . 1 1 43 43 LYS HD3 H 1 1.707 0.003 . 1 . . . . . . . . 6834 1 445 . 1 1 43 43 LYS CE C 13 42.106 0.021 . 1 . . . . . . . . 6834 1 446 . 1 1 43 43 LYS HE2 H 1 3.069 0.016 . 1 . . . . . . . . 6834 1 447 . 1 1 43 43 LYS HE3 H 1 3.069 0.016 . 1 . . . . . . . . 6834 1 448 . 1 1 44 44 VAL H H 1 7.436 0.006 . 1 . . . . . . . . 6834 1 449 . 1 1 44 44 VAL N N 15 118.912 0.003 . 1 . . . . . . . . 6834 1 450 . 1 1 44 44 VAL CA C 13 61.419 0.018 . 1 . . . . . . . . 6834 1 451 . 1 1 44 44 VAL HA H 1 4.386 0.003 . 1 . . . . . . . . 6834 1 452 . 1 1 44 44 VAL CB C 13 35.138 0.041 . 1 . . . . . . . . 6834 1 453 . 1 1 44 44 VAL HB H 1 1.980 0.004 . 1 . . . . . . . . 6834 1 454 . 1 1 44 44 VAL CG1 C 13 21.157 0.043 . 1 . . . . . . . . 6834 1 455 . 1 1 44 44 VAL HG11 H 1 0.941 0.002 . 1 . . . . . . . . 6834 1 456 . 1 1 44 44 VAL HG12 H 1 0.941 0.002 . 1 . . . . . . . . 6834 1 457 . 1 1 44 44 VAL HG13 H 1 0.941 0.002 . 1 . . . . . . . . 6834 1 458 . 1 1 44 44 VAL CG2 C 13 21.178 0.046 . 1 . . . . . . . . 6834 1 459 . 1 1 44 44 VAL HG21 H 1 0.993 0.000 . 1 . . . . . . . . 6834 1 460 . 1 1 44 44 VAL HG22 H 1 0.993 0.000 . 1 . . . . . . . . 6834 1 461 . 1 1 44 44 VAL HG23 H 1 0.993 0.000 . 1 . . . . . . . . 6834 1 462 . 1 1 45 45 GLY H H 1 9.221 0.005 . 1 . . . . . . . . 6834 1 463 . 1 1 45 45 GLY N N 15 113.399 0.004 . 1 . . . . . . . . 6834 1 464 . 1 1 45 45 GLY CA C 13 46.471 0.012 . 1 . . . . . . . . 6834 1 465 . 1 1 45 45 GLY HA2 H 1 3.916 0.003 . 2 . . . . . . . . 6834 1 466 . 1 1 45 45 GLY HA3 H 1 3.154 0.002 . 2 . . . . . . . . 6834 1 467 . 1 1 46 46 ARG H H 1 7.405 0.011 . 1 . . . . . . . . 6834 1 468 . 1 1 46 46 ARG N N 15 114.905 0.039 . 1 . . . . . . . . 6834 1 469 . 1 1 46 46 ARG CA C 13 57.396 0.019 . 1 . . . . . . . . 6834 1 470 . 1 1 46 46 ARG HA H 1 4.818 0.009 . 1 . . . . . . . . 6834 1 471 . 1 1 46 46 ARG CB C 13 31.169 0.007 . 1 . . . . . . . . 6834 1 472 . 1 1 46 46 ARG HB2 H 1 1.606 0.006 . 2 . . . . . . . . 6834 1 473 . 1 1 46 46 ARG HB3 H 1 2.036 0.006 . 2 . . . . . . . . 6834 1 474 . 1 1 46 46 ARG CG C 13 28.013 0.003 . 1 . . . . . . . . 6834 1 475 . 1 1 46 46 ARG HG2 H 1 1.327 0.010 . 2 . . . . . . . . 6834 1 476 . 1 1 46 46 ARG HG3 H 1 1.814 0.011 . 2 . . . . . . . . 6834 1 477 . 1 1 46 46 ARG CD C 13 43.808 0.034 . 1 . . . . . . . . 6834 1 478 . 1 1 46 46 ARG HD2 H 1 3.325 0.031 . 2 . . . . . . . . 6834 1 479 . 1 1 46 46 ARG HD3 H 1 3.457 0.005 . 2 . . . . . . . . 6834 1 480 . 1 1 46 46 ARG NE N 15 111.695 0.000 . 1 . . . . . . . . 6834 1 481 . 1 1 46 46 ARG HE H 1 7.109 0.007 . 1 . . . . . . . . 6834 1 482 . 1 1 47 47 ILE H H 1 8.728 0.010 . 1 . . . . . . . . 6834 1 483 . 1 1 47 47 ILE N N 15 128.066 0.048 . 1 . . . . . . . . 6834 1 484 . 1 1 47 47 ILE CA C 13 60.843 0.057 . 1 . . . . . . . . 6834 1 485 . 1 1 47 47 ILE HA H 1 4.620 0.005 . 1 . . . . . . . . 6834 1 486 . 1 1 47 47 ILE CB C 13 39.916 0.019 . 1 . . . . . . . . 6834 1 487 . 1 1 47 47 ILE HB H 1 1.576 0.007 . 1 . . . . . . . . 6834 1 488 . 1 1 47 47 ILE CG2 C 13 19.041 0.022 . 1 . . . . . . . . 6834 1 489 . 1 1 47 47 ILE HG21 H 1 1.205 0.000 . 1 . . . . . . . . 6834 1 490 . 1 1 47 47 ILE HG22 H 1 1.205 0.000 . 1 . . . . . . . . 6834 1 491 . 1 1 47 47 ILE HG23 H 1 1.205 0.000 . 1 . . . . . . . . 6834 1 492 . 1 1 47 47 ILE CG1 C 13 26.839 0.048 . 1 . . . . . . . . 6834 1 493 . 1 1 47 47 ILE HG12 H 1 0.560 0.009 . 2 . . . . . . . . 6834 1 494 . 1 1 47 47 ILE HG13 H 1 2.196 0.007 . 2 . . . . . . . . 6834 1 495 . 1 1 47 47 ILE CD1 C 13 17.102 0.020 . 1 . . . . . . . . 6834 1 496 . 1 1 47 47 ILE HD11 H 1 0.900 0.007 . 1 . . . . . . . . 6834 1 497 . 1 1 47 47 ILE HD12 H 1 0.900 0.007 . 1 . . . . . . . . 6834 1 498 . 1 1 47 47 ILE HD13 H 1 0.900 0.007 . 1 . . . . . . . . 6834 1 499 . 1 1 48 48 THR H H 1 10.084 0.006 . 1 . . . . . . . . 6834 1 500 . 1 1 48 48 THR N N 15 118.913 0.003 . 1 . . . . . . . . 6834 1 501 . 1 1 48 48 THR CA C 13 64.178 0.025 . 1 . . . . . . . . 6834 1 502 . 1 1 48 48 THR HA H 1 4.271 0.003 . 1 . . . . . . . . 6834 1 503 . 1 1 48 48 THR CB C 13 70.198 0.052 . 1 . . . . . . . . 6834 1 504 . 1 1 48 48 THR HB H 1 4.431 0.005 . 1 . . . . . . . . 6834 1 505 . 1 1 48 48 THR CG2 C 13 22.194 0.002 . 1 . . . . . . . . 6834 1 506 . 1 1 48 48 THR HG21 H 1 1.336 0.004 . 1 . . . . . . . . 6834 1 507 . 1 1 48 48 THR HG22 H 1 1.336 0.004 . 1 . . . . . . . . 6834 1 508 . 1 1 48 48 THR HG23 H 1 1.336 0.004 . 1 . . . . . . . . 6834 1 509 . 1 1 49 49 THR H H 1 7.164 0.007 . 1 . . . . . . . . 6834 1 510 . 1 1 49 49 THR N N 15 108.326 0.033 . 1 . . . . . . . . 6834 1 511 . 1 1 49 49 THR CA C 13 59.135 0.034 . 1 . . . . . . . . 6834 1 512 . 1 1 49 49 THR HA H 1 5.034 0.006 . 1 . . . . . . . . 6834 1 513 . 1 1 49 49 THR CB C 13 73.412 0.001 . 1 . . . . . . . . 6834 1 514 . 1 1 49 49 THR HB H 1 4.722 0.004 . 1 . . . . . . . . 6834 1 515 . 1 1 49 49 THR CG2 C 13 21.705 0.000 . 1 . . . . . . . . 6834 1 516 . 1 1 49 49 THR HG21 H 1 1.314 0.000 . 1 . . . . . . . . 6834 1 517 . 1 1 49 49 THR HG22 H 1 1.314 0.000 . 1 . . . . . . . . 6834 1 518 . 1 1 49 49 THR HG23 H 1 1.314 0.000 . 1 . . . . . . . . 6834 1 519 . 1 1 50 50 THR CA C 13 65.668 0.031 . 1 . . . . . . . . 6834 1 520 . 1 1 50 50 THR HA H 1 4.037 0.000 . 1 . . . . . . . . 6834 1 521 . 1 1 50 50 THR CB C 13 68.371 0.056 . 1 . . . . . . . . 6834 1 522 . 1 1 50 50 THR HB H 1 4.218 0.003 . 1 . . . . . . . . 6834 1 523 . 1 1 50 50 THR CG2 C 13 22.655 0.000 . 1 . . . . . . . . 6834 1 524 . 1 1 50 50 THR HG21 H 1 1.331 0.011 . 1 . . . . . . . . 6834 1 525 . 1 1 50 50 THR HG22 H 1 1.331 0.011 . 1 . . . . . . . . 6834 1 526 . 1 1 50 50 THR HG23 H 1 1.331 0.011 . 1 . . . . . . . . 6834 1 527 . 1 1 51 51 GLU H H 1 8.934 0.012 . 1 . . . . . . . . 6834 1 528 . 1 1 51 51 GLU N N 15 122.516 0.003 . 1 . . . . . . . . 6834 1 529 . 1 1 51 51 GLU CA C 13 60.611 0.055 . 1 . . . . . . . . 6834 1 530 . 1 1 51 51 GLU HA H 1 4.051 0.005 . 1 . . . . . . . . 6834 1 531 . 1 1 51 51 GLU CB C 13 28.713 0.040 . 1 . . . . . . . . 6834 1 532 . 1 1 51 51 GLU HB2 H 1 2.055 0.002 . 2 . . . . . . . . 6834 1 533 . 1 1 51 51 GLU HB3 H 1 2.117 0.001 . 2 . . . . . . . . 6834 1 534 . 1 1 51 51 GLU CG C 13 36.962 0.045 . 1 . . . . . . . . 6834 1 535 . 1 1 51 51 GLU HG2 H 1 2.344 0.002 . 2 . . . . . . . . 6834 1 536 . 1 1 51 51 GLU HG3 H 1 2.491 0.003 . 2 . . . . . . . . 6834 1 537 . 1 1 52 52 ASP H H 1 8.183 0.008 . 1 . . . . . . . . 6834 1 538 . 1 1 52 52 ASP N N 15 121.473 0.035 . 1 . . . . . . . . 6834 1 539 . 1 1 52 52 ASP CA C 13 57.395 0.003 . 1 . . . . . . . . 6834 1 540 . 1 1 52 52 ASP HA H 1 4.445 0.009 . 1 . . . . . . . . 6834 1 541 . 1 1 52 52 ASP CB C 13 40.180 0.025 . 1 . . . . . . . . 6834 1 542 . 1 1 52 52 ASP HB2 H 1 2.699 0.016 . 2 . . . . . . . . 6834 1 543 . 1 1 52 52 ASP HB3 H 1 2.888 0.019 . 2 . . . . . . . . 6834 1 544 . 1 1 53 53 PHE H H 1 7.763 0.003 . 1 . . . . . . . . 6834 1 545 . 1 1 53 53 PHE N N 15 120.409 0.030 . 1 . . . . . . . . 6834 1 546 . 1 1 53 53 PHE CA C 13 62.221 0.039 . 1 . . . . . . . . 6834 1 547 . 1 1 53 53 PHE HA H 1 3.893 0.000 . 1 . . . . . . . . 6834 1 548 . 1 1 53 53 PHE CB C 13 39.421 0.010 . 1 . . . . . . . . 6834 1 549 . 1 1 53 53 PHE HB2 H 1 3.094 0.008 . 2 . . . . . . . . 6834 1 550 . 1 1 53 53 PHE HB3 H 1 3.584 0.006 . 2 . . . . . . . . 6834 1 551 . 1 1 53 53 PHE CD1 C 13 131.233 0.000 . 1 . . . . . . . . 6834 1 552 . 1 1 53 53 PHE HD1 H 1 7.066 0.000 . 1 . . . . . . . . 6834 1 553 . 1 1 53 53 PHE CD2 C 13 131.233 0.000 . 1 . . . . . . . . 6834 1 554 . 1 1 53 53 PHE HD2 H 1 7.066 0.000 . 1 . . . . . . . . 6834 1 555 . 1 1 53 53 PHE CE1 C 13 131.136 0.000 . 1 . . . . . . . . 6834 1 556 . 1 1 53 53 PHE HE1 H 1 7.243 0.011 . 1 . . . . . . . . 6834 1 557 . 1 1 53 53 PHE CE2 C 13 131.136 0.000 . 1 . . . . . . . . 6834 1 558 . 1 1 53 53 PHE HE2 H 1 7.243 0.011 . 1 . . . . . . . . 6834 1 559 . 1 1 53 53 PHE CZ C 13 130.747 0.000 . 1 . . . . . . . . 6834 1 560 . 1 1 53 53 PHE HZ H 1 7.508 0.006 . 1 . . . . . . . . 6834 1 561 . 1 1 54 54 LYS H H 1 8.554 0.007 . 1 . . . . . . . . 6834 1 562 . 1 1 54 54 LYS N N 15 117.652 0.024 . 1 . . . . . . . . 6834 1 563 . 1 1 54 54 LYS CA C 13 59.650 0.028 . 1 . . . . . . . . 6834 1 564 . 1 1 54 54 LYS HA H 1 3.820 0.005 . 1 . . . . . . . . 6834 1 565 . 1 1 54 54 LYS CB C 13 32.392 0.009 . 1 . . . . . . . . 6834 1 566 . 1 1 54 54 LYS HB2 H 1 1.913 0.002 . 2 . . . . . . . . 6834 1 567 . 1 1 54 54 LYS HB3 H 1 1.968 0.002 . 2 . . . . . . . . 6834 1 568 . 1 1 54 54 LYS CG C 13 25.851 0.031 . 1 . . . . . . . . 6834 1 569 . 1 1 54 54 LYS HG2 H 1 1.535 0.003 . 2 . . . . . . . . 6834 1 570 . 1 1 54 54 LYS HG3 H 1 1.840 0.003 . 2 . . . . . . . . 6834 1 571 . 1 1 54 54 LYS CD C 13 29.433 0.027 . 1 . . . . . . . . 6834 1 572 . 1 1 54 54 LYS HD2 H 1 1.745 0.001 . 1 . . . . . . . . 6834 1 573 . 1 1 54 54 LYS HD3 H 1 1.745 0.001 . 1 . . . . . . . . 6834 1 574 . 1 1 54 54 LYS CE C 13 41.862 0.019 . 1 . . . . . . . . 6834 1 575 . 1 1 54 54 LYS HE2 H 1 2.980 0.003 . 1 . . . . . . . . 6834 1 576 . 1 1 54 54 LYS HE3 H 1 2.980 0.003 . 1 . . . . . . . . 6834 1 577 . 1 1 55 55 HIS H H 1 8.083 0.006 . 1 . . . . . . . . 6834 1 578 . 1 1 55 55 HIS N N 15 118.925 0.031 . 1 . . . . . . . . 6834 1 579 . 1 1 55 55 HIS CA C 13 59.645 0.041 . 1 . . . . . . . . 6834 1 580 . 1 1 55 55 HIS HA H 1 4.245 0.003 . 1 . . . . . . . . 6834 1 581 . 1 1 55 55 HIS CB C 13 30.667 0.015 . 1 . . . . . . . . 6834 1 582 . 1 1 55 55 HIS HB2 H 1 3.327 0.003 . 2 . . . . . . . . 6834 1 583 . 1 1 55 55 HIS HB3 H 1 3.430 0.002 . 2 . . . . . . . . 6834 1 584 . 1 1 56 56 LEU H H 1 8.317 0.005 . 1 . . . . . . . . 6834 1 585 . 1 1 56 56 LEU N N 15 121.664 0.020 . 1 . . . . . . . . 6834 1 586 . 1 1 56 56 LEU CA C 13 57.644 0.033 . 1 . . . . . . . . 6834 1 587 . 1 1 56 56 LEU HA H 1 3.881 0.017 . 1 . . . . . . . . 6834 1 588 . 1 1 56 56 LEU CB C 13 40.907 0.013 . 1 . . . . . . . . 6834 1 589 . 1 1 56 56 LEU HB2 H 1 1.429 0.004 . 2 . . . . . . . . 6834 1 590 . 1 1 56 56 LEU HB3 H 1 1.525 0.000 . 2 . . . . . . . . 6834 1 591 . 1 1 56 56 LEU CG C 13 26.608 0.047 . 1 . . . . . . . . 6834 1 592 . 1 1 56 56 LEU CD1 C 13 25.126 0.027 . 1 . . . . . . . . 6834 1 593 . 1 1 56 56 LEU HD11 H 1 0.137 0.002 . 1 . . . . . . . . 6834 1 594 . 1 1 56 56 LEU HD12 H 1 0.137 0.002 . 1 . . . . . . . . 6834 1 595 . 1 1 56 56 LEU HD13 H 1 0.137 0.002 . 1 . . . . . . . . 6834 1 596 . 1 1 56 56 LEU CD2 C 13 21.928 0.021 . 1 . . . . . . . . 6834 1 597 . 1 1 56 56 LEU HD21 H 1 0.690 0.006 . 1 . . . . . . . . 6834 1 598 . 1 1 56 56 LEU HD22 H 1 0.690 0.006 . 1 . . . . . . . . 6834 1 599 . 1 1 56 56 LEU HD23 H 1 0.690 0.006 . 1 . . . . . . . . 6834 1 600 . 1 1 56 56 LEU HG H 1 1.143 0.004 . 1 . . . . . . . . 6834 1 601 . 1 1 57 57 ALA H H 1 8.500 0.004 . 1 . . . . . . . . 6834 1 602 . 1 1 57 57 ALA N N 15 119.989 0.035 . 1 . . . . . . . . 6834 1 603 . 1 1 57 57 ALA CA C 13 55.447 0.017 . 1 . . . . . . . . 6834 1 604 . 1 1 57 57 ALA HA H 1 3.577 0.004 . 1 . . . . . . . . 6834 1 605 . 1 1 57 57 ALA CB C 13 16.852 0.002 . 1 . . . . . . . . 6834 1 606 . 1 1 57 57 ALA HB1 H 1 1.064 0.007 . 1 . . . . . . . . 6834 1 607 . 1 1 57 57 ALA HB2 H 1 1.064 0.007 . 1 . . . . . . . . 6834 1 608 . 1 1 57 57 ALA HB3 H 1 1.064 0.007 . 1 . . . . . . . . 6834 1 609 . 1 1 58 58 ARG H H 1 7.703 0.007 . 1 . . . . . . . . 6834 1 610 . 1 1 58 58 ARG N N 15 119.337 0.003 . 1 . . . . . . . . 6834 1 611 . 1 1 58 58 ARG CA C 13 59.645 0.031 . 1 . . . . . . . . 6834 1 612 . 1 1 58 58 ARG HA H 1 4.010 0.007 . 1 . . . . . . . . 6834 1 613 . 1 1 58 58 ARG CB C 13 29.959 0.000 . 1 . . . . . . . . 6834 1 614 . 1 1 58 58 ARG HB2 H 1 1.903 0.007 . 1 . . . . . . . . 6834 1 615 . 1 1 58 58 ARG HB3 H 1 1.903 0.007 . 1 . . . . . . . . 6834 1 616 . 1 1 58 58 ARG CG C 13 27.532 0.000 . 1 . . . . . . . . 6834 1 617 . 1 1 58 58 ARG HG2 H 1 1.542 0.006 . 2 . . . . . . . . 6834 1 618 . 1 1 58 58 ARG HG3 H 1 1.731 0.005 . 2 . . . . . . . . 6834 1 619 . 1 1 58 58 ARG CD C 13 43.337 0.037 . 1 . . . . . . . . 6834 1 620 . 1 1 58 58 ARG HD2 H 1 3.214 0.003 . 1 . . . . . . . . 6834 1 621 . 1 1 58 58 ARG HD3 H 1 3.214 0.003 . 1 . . . . . . . . 6834 1 622 . 1 1 59 59 LYS H H 1 8.062 0.005 . 1 . . . . . . . . 6834 1 623 . 1 1 59 59 LYS N N 15 121.246 0.003 . 1 . . . . . . . . 6834 1 624 . 1 1 59 59 LYS CA C 13 59.392 0.059 . 1 . . . . . . . . 6834 1 625 . 1 1 59 59 LYS HA H 1 4.021 0.007 . 1 . . . . . . . . 6834 1 626 . 1 1 59 59 LYS CG C 13 27.480 0.000 . 1 . . . . . . . . 6834 1 627 . 1 1 60 60 LEU H H 1 8.955 0.005 . 1 . . . . . . . . 6834 1 628 . 1 1 60 60 LEU N N 15 119.336 0.003 . 1 . . . . . . . . 6834 1 629 . 1 1 60 60 LEU CA C 13 57.659 0.000 . 1 . . . . . . . . 6834 1 630 . 1 1 60 60 LEU HA H 1 4.065 0.013 . 1 . . . . . . . . 6834 1 631 . 1 1 60 60 LEU CB C 13 42.646 0.026 . 1 . . . . . . . . 6834 1 632 . 1 1 60 60 LEU HB2 H 1 1.113 0.005 . 2 . . . . . . . . 6834 1 633 . 1 1 60 60 LEU HB3 H 1 1.856 0.004 . 2 . . . . . . . . 6834 1 634 . 1 1 60 60 LEU CG C 13 26.898 0.016 . 1 . . . . . . . . 6834 1 635 . 1 1 60 60 LEU CD1 C 13 21.680 0.024 . 1 . . . . . . . . 6834 1 636 . 1 1 60 60 LEU HD11 H 1 0.284 0.003 . 1 . . . . . . . . 6834 1 637 . 1 1 60 60 LEU HD12 H 1 0.284 0.003 . 1 . . . . . . . . 6834 1 638 . 1 1 60 60 LEU HD13 H 1 0.284 0.003 . 1 . . . . . . . . 6834 1 639 . 1 1 60 60 LEU CD2 C 13 26.804 0.001 . 1 . . . . . . . . 6834 1 640 . 1 1 60 60 LEU HD21 H 1 0.549 0.004 . 1 . . . . . . . . 6834 1 641 . 1 1 60 60 LEU HD22 H 1 0.549 0.004 . 1 . . . . . . . . 6834 1 642 . 1 1 60 60 LEU HD23 H 1 0.549 0.004 . 1 . . . . . . . . 6834 1 643 . 1 1 60 60 LEU HG H 1 1.552 0.003 . 1 . . . . . . . . 6834 1 644 . 1 1 61 61 THR H H 1 7.976 0.003 . 1 . . . . . . . . 6834 1 645 . 1 1 61 61 THR N N 15 116.581 0.003 . 1 . . . . . . . . 6834 1 646 . 1 1 61 61 THR CA C 13 68.312 0.002 . 1 . . . . . . . . 6834 1 647 . 1 1 61 61 THR HA H 1 3.629 0.002 . 1 . . . . . . . . 6834 1 648 . 1 1 61 61 THR CB C 13 68.105 0.045 . 1 . . . . . . . . 6834 1 649 . 1 1 61 61 THR HB H 1 4.267 0.014 . 1 . . . . . . . . 6834 1 650 . 1 1 61 61 THR CG2 C 13 20.977 0.000 . 1 . . . . . . . . 6834 1 651 . 1 1 61 61 THR HG21 H 1 1.117 0.002 . 1 . . . . . . . . 6834 1 652 . 1 1 61 61 THR HG22 H 1 1.117 0.002 . 1 . . . . . . . . 6834 1 653 . 1 1 61 61 THR HG23 H 1 1.117 0.002 . 1 . . . . . . . . 6834 1 654 . 1 1 62 62 HIS H H 1 7.923 0.013 . 1 . . . . . . . . 6834 1 655 . 1 1 62 62 HIS N N 15 119.339 0.002 . 1 . . . . . . . . 6834 1 656 . 1 1 62 62 HIS CA C 13 59.854 0.042 . 1 . . . . . . . . 6834 1 657 . 1 1 62 62 HIS HA H 1 4.224 0.004 . 1 . . . . . . . . 6834 1 658 . 1 1 62 62 HIS CB C 13 30.253 0.051 . 1 . . . . . . . . 6834 1 659 . 1 1 62 62 HIS HB2 H 1 3.154 0.000 . 1 . . . . . . . . 6834 1 660 . 1 1 62 62 HIS HB3 H 1 3.154 0.000 . 1 . . . . . . . . 6834 1 661 . 1 1 63 63 GLY H H 1 8.428 0.005 . 1 . . . . . . . . 6834 1 662 . 1 1 63 63 GLY N N 15 106.614 0.004 . 1 . . . . . . . . 6834 1 663 . 1 1 63 63 GLY CA C 13 47.220 0.043 . 1 . . . . . . . . 6834 1 664 . 1 1 63 63 GLY HA2 H 1 3.994 0.003 . 2 . . . . . . . . 6834 1 665 . 1 1 63 63 GLY HA3 H 1 3.862 0.000 . 2 . . . . . . . . 6834 1 666 . 1 1 64 64 VAL H H 1 8.762 0.002 . 1 . . . . . . . . 6834 1 667 . 1 1 64 64 VAL N N 15 122.295 0.024 . 1 . . . . . . . . 6834 1 668 . 1 1 64 64 VAL CA C 13 66.616 0.000 . 1 . . . . . . . . 6834 1 669 . 1 1 64 64 VAL HA H 1 3.628 0.006 . 1 . . . . . . . . 6834 1 670 . 1 1 64 64 VAL CB C 13 31.656 0.000 . 1 . . . . . . . . 6834 1 671 . 1 1 64 64 VAL HB H 1 2.202 0.004 . 1 . . . . . . . . 6834 1 672 . 1 1 64 64 VAL CG1 C 13 22.919 0.021 . 1 . . . . . . . . 6834 1 673 . 1 1 64 64 VAL HG11 H 1 1.076 0.003 . 1 . . . . . . . . 6834 1 674 . 1 1 64 64 VAL HG12 H 1 1.076 0.003 . 1 . . . . . . . . 6834 1 675 . 1 1 64 64 VAL HG13 H 1 1.076 0.003 . 1 . . . . . . . . 6834 1 676 . 1 1 64 64 VAL CG2 C 13 21.405 0.000 . 1 . . . . . . . . 6834 1 677 . 1 1 64 64 VAL HG21 H 1 1.138 0.005 . 1 . . . . . . . . 6834 1 678 . 1 1 64 64 VAL HG22 H 1 1.138 0.005 . 1 . . . . . . . . 6834 1 679 . 1 1 64 64 VAL HG23 H 1 1.138 0.005 . 1 . . . . . . . . 6834 1 680 . 1 1 65 65 MET H H 1 8.221 0.021 . 1 . . . . . . . . 6834 1 681 . 1 1 65 65 MET N N 15 119.029 0.097 . 1 . . . . . . . . 6834 1 682 . 1 1 65 65 MET CA C 13 59.577 0.003 . 1 . . . . . . . . 6834 1 683 . 1 1 65 65 MET HA H 1 3.864 0.002 . 1 . . . . . . . . 6834 1 684 . 1 1 65 65 MET CB C 13 32.406 0.000 . 1 . . . . . . . . 6834 1 685 . 1 1 65 65 MET HB2 H 1 2.128 0.005 . 2 . . . . . . . . 6834 1 686 . 1 1 65 65 MET HB3 H 1 2.273 0.002 . 2 . . . . . . . . 6834 1 687 . 1 1 65 65 MET CG C 13 31.658 0.001 . 1 . . . . . . . . 6834 1 688 . 1 1 65 65 MET HG2 H 1 2.328 0.004 . 2 . . . . . . . . 6834 1 689 . 1 1 65 65 MET HG3 H 1 2.417 0.006 . 2 . . . . . . . . 6834 1 690 . 1 1 65 65 MET CE C 13 16.834 0.027 . 1 . . . . . . . . 6834 1 691 . 1 1 65 65 MET HE1 H 1 2.073 0.002 . 1 . . . . . . . . 6834 1 692 . 1 1 65 65 MET HE2 H 1 2.073 0.002 . 1 . . . . . . . . 6834 1 693 . 1 1 65 65 MET HE3 H 1 2.073 0.002 . 1 . . . . . . . . 6834 1 694 . 1 1 66 66 ASN H H 1 8.135 0.004 . 1 . . . . . . . . 6834 1 695 . 1 1 66 66 ASN N N 15 115.734 0.001 . 1 . . . . . . . . 6834 1 696 . 1 1 66 66 ASN CA C 13 55.942 0.041 . 1 . . . . . . . . 6834 1 697 . 1 1 66 66 ASN HA H 1 4.348 0.016 . 1 . . . . . . . . 6834 1 698 . 1 1 66 66 ASN CB C 13 37.950 0.027 . 1 . . . . . . . . 6834 1 699 . 1 1 66 66 ASN HB2 H 1 2.680 0.005 . 2 . . . . . . . . 6834 1 700 . 1 1 66 66 ASN HB3 H 1 2.774 0.002 . 2 . . . . . . . . 6834 1 701 . 1 1 66 66 ASN ND2 N 15 111.781 0.020 . 1 . . . . . . . . 6834 1 702 . 1 1 66 66 ASN HD21 H 1 6.607 0.003 . 2 . . . . . . . . 6834 1 703 . 1 1 66 66 ASN HD22 H 1 7.505 0.001 . 2 . . . . . . . . 6834 1 704 . 1 1 67 67 LYS H H 1 7.765 0.007 . 1 . . . . . . . . 6834 1 705 . 1 1 67 67 LYS N N 15 119.986 0.028 . 1 . . . . . . . . 6834 1 706 . 1 1 67 67 LYS CA C 13 59.375 0.000 . 1 . . . . . . . . 6834 1 707 . 1 1 67 67 LYS HA H 1 4.000 0.000 . 1 . . . . . . . . 6834 1 708 . 1 1 67 67 LYS HB2 H 1 1.924 0.000 . 1 . . . . . . . . 6834 1 709 . 1 1 67 67 LYS HB3 H 1 1.924 0.000 . 1 . . . . . . . . 6834 1 710 . 1 1 68 68 GLU H H 1 8.287 0.005 . 1 . . . . . . . . 6834 1 711 . 1 1 68 68 GLU N N 15 117.653 0.023 . 1 . . . . . . . . 6834 1 712 . 1 1 68 68 GLU CA C 13 58.147 0.018 . 1 . . . . . . . . 6834 1 713 . 1 1 68 68 GLU HA H 1 4.184 0.003 . 1 . . . . . . . . 6834 1 714 . 1 1 68 68 GLU CB C 13 28.955 0.040 . 1 . . . . . . . . 6834 1 715 . 1 1 68 68 GLU HB2 H 1 1.806 0.002 . 2 . . . . . . . . 6834 1 716 . 1 1 68 68 GLU HB3 H 1 1.966 0.008 . 2 . . . . . . . . 6834 1 717 . 1 1 68 68 GLU CG C 13 36.471 0.052 . 1 . . . . . . . . 6834 1 718 . 1 1 68 68 GLU HG2 H 1 2.181 0.005 . 2 . . . . . . . . 6834 1 719 . 1 1 68 68 GLU HG3 H 1 2.467 0.001 . 2 . . . . . . . . 6834 1 720 . 1 1 69 69 LEU H H 1 8.220 0.008 . 1 . . . . . . . . 6834 1 721 . 1 1 69 69 LEU N N 15 118.939 0.043 . 1 . . . . . . . . 6834 1 722 . 1 1 69 69 LEU CA C 13 57.148 0.000 . 1 . . . . . . . . 6834 1 723 . 1 1 69 69 LEU HA H 1 4.056 0.010 . 1 . . . . . . . . 6834 1 724 . 1 1 69 69 LEU CB C 13 41.871 0.025 . 1 . . . . . . . . 6834 1 725 . 1 1 69 69 LEU HB2 H 1 1.477 0.010 . 2 . . . . . . . . 6834 1 726 . 1 1 69 69 LEU HB3 H 1 1.812 0.006 . 2 . . . . . . . . 6834 1 727 . 1 1 69 69 LEU CG C 13 27.532 0.000 . 1 . . . . . . . . 6834 1 728 . 1 1 69 69 LEU CD1 C 13 24.132 0.039 . 1 . . . . . . . . 6834 1 729 . 1 1 69 69 LEU HD11 H 1 0.842 0.006 . 1 . . . . . . . . 6834 1 730 . 1 1 69 69 LEU HD12 H 1 0.842 0.006 . 1 . . . . . . . . 6834 1 731 . 1 1 69 69 LEU HD13 H 1 0.842 0.006 . 1 . . . . . . . . 6834 1 732 . 1 1 69 69 LEU CD2 C 13 25.364 0.027 . 1 . . . . . . . . 6834 1 733 . 1 1 69 69 LEU HD21 H 1 0.850 0.008 . 1 . . . . . . . . 6834 1 734 . 1 1 69 69 LEU HD22 H 1 0.850 0.008 . 1 . . . . . . . . 6834 1 735 . 1 1 69 69 LEU HD23 H 1 0.850 0.008 . 1 . . . . . . . . 6834 1 736 . 1 1 69 69 LEU HG H 1 1.653 0.002 . 1 . . . . . . . . 6834 1 737 . 1 1 70 70 LYS H H 1 7.330 0.005 . 1 . . . . . . . . 6834 1 738 . 1 1 70 70 LYS N N 15 118.064 0.003 . 1 . . . . . . . . 6834 1 739 . 1 1 70 70 LYS CA C 13 58.362 0.000 . 1 . . . . . . . . 6834 1 740 . 1 1 70 70 LYS HA H 1 3.950 0.003 . 1 . . . . . . . . 6834 1 741 . 1 1 70 70 LYS CB C 13 31.902 0.002 . 1 . . . . . . . . 6834 1 742 . 1 1 70 70 LYS HB2 H 1 1.603 0.007 . 1 . . . . . . . . 6834 1 743 . 1 1 70 70 LYS HB3 H 1 1.725 0.004 . 1 . . . . . . . . 6834 1 744 . 1 1 70 70 LYS CG C 13 24.880 0.022 . 1 . . . . . . . . 6834 1 745 . 1 1 70 70 LYS HG2 H 1 1.084 0.003 . 2 . . . . . . . . 6834 1 746 . 1 1 70 70 LYS HG3 H 1 1.319 0.006 . 2 . . . . . . . . 6834 1 747 . 1 1 70 70 LYS CD C 13 28.923 0.041 . 1 . . . . . . . . 6834 1 748 . 1 1 70 70 LYS HD2 H 1 1.563 0.004 . 1 . . . . . . . . 6834 1 749 . 1 1 70 70 LYS HD3 H 1 1.563 0.004 . 1 . . . . . . . . 6834 1 750 . 1 1 70 70 LYS CE C 13 41.852 0.000 . 1 . . . . . . . . 6834 1 751 . 1 1 70 70 LYS HE2 H 1 2.885 0.008 . 1 . . . . . . . . 6834 1 752 . 1 1 71 71 TYR H H 1 7.330 0.004 . 1 . . . . . . . . 6834 1 753 . 1 1 71 71 TYR N N 15 115.521 0.003 . 1 . . . . . . . . 6834 1 754 . 1 1 71 71 TYR CA C 13 57.875 0.038 . 1 . . . . . . . . 6834 1 755 . 1 1 71 71 TYR HA H 1 4.550 0.003 . 1 . . . . . . . . 6834 1 756 . 1 1 71 71 TYR CB C 13 38.666 0.035 . 1 . . . . . . . . 6834 1 757 . 1 1 71 71 TYR HB2 H 1 2.872 0.004 . 2 . . . . . . . . 6834 1 758 . 1 1 71 71 TYR HB3 H 1 3.308 0.003 . 2 . . . . . . . . 6834 1 759 . 1 1 71 71 TYR CD1 C 13 133.078 0.000 . 1 . . . . . . . . 6834 1 760 . 1 1 71 71 TYR HD1 H 1 7.233 0.003 . 1 . . . . . . . . 6834 1 761 . 1 1 71 71 TYR CD2 C 13 133.078 0.000 . 1 . . . . . . . . 6834 1 762 . 1 1 71 71 TYR HD2 H 1 7.233 0.003 . 1 . . . . . . . . 6834 1 763 . 1 1 71 71 TYR CE1 C 13 117.833 0.000 . 1 . . . . . . . . 6834 1 764 . 1 1 71 71 TYR HE1 H 1 6.807 0.002 . 1 . . . . . . . . 6834 1 765 . 1 1 71 71 TYR CE2 C 13 117.833 0.000 . 1 . . . . . . . . 6834 1 766 . 1 1 71 71 TYR HE2 H 1 6.807 0.002 . 1 . . . . . . . . 6834 1 767 . 1 1 72 72 CYS H H 1 7.480 0.008 . 1 . . . . . . . . 6834 1 768 . 1 1 72 72 CYS N N 15 118.701 0.002 . 1 . . . . . . . . 6834 1 769 . 1 1 72 72 CYS CA C 13 58.889 0.029 . 1 . . . . . . . . 6834 1 770 . 1 1 72 72 CYS HA H 1 4.441 0.006 . 1 . . . . . . . . 6834 1 771 . 1 1 72 72 CYS CB C 13 27.736 0.049 . 1 . . . . . . . . 6834 1 772 . 1 1 72 72 CYS HB2 H 1 2.830 0.011 . 2 . . . . . . . . 6834 1 773 . 1 1 72 72 CYS HB3 H 1 2.895 0.002 . 2 . . . . . . . . 6834 1 774 . 1 1 73 73 LYS H H 1 8.819 0.000 . 1 . . . . . . . . 6834 1 775 . 1 1 73 73 LYS N N 15 125.486 0.002 . 1 . . . . . . . . 6834 1 776 . 1 1 73 73 LYS CA C 13 58.588 0.039 . 1 . . . . . . . . 6834 1 777 . 1 1 73 73 LYS HA H 1 4.091 0.002 . 1 . . . . . . . . 6834 1 778 . 1 1 73 73 LYS CB C 13 32.396 0.009 . 1 . . . . . . . . 6834 1 779 . 1 1 73 73 LYS HB2 H 1 1.874 0.003 . 1 . . . . . . . . 6834 1 780 . 1 1 73 73 LYS HB3 H 1 1.874 0.003 . 1 . . . . . . . . 6834 1 781 . 1 1 73 73 LYS CG C 13 24.879 0.027 . 1 . . . . . . . . 6834 1 782 . 1 1 73 73 LYS HG2 H 1 1.443 0.001 . 2 . . . . . . . . 6834 1 783 . 1 1 73 73 LYS HG3 H 1 1.507 0.004 . 2 . . . . . . . . 6834 1 784 . 1 1 73 73 LYS CD C 13 28.906 0.000 . 1 . . . . . . . . 6834 1 785 . 1 1 73 73 LYS HD2 H 1 1.703 0.002 . 1 . . . . . . . . 6834 1 786 . 1 1 73 73 LYS HD3 H 1 1.703 0.002 . 1 . . . . . . . . 6834 1 787 . 1 1 73 73 LYS CE C 13 41.907 0.000 . 1 . . . . . . . . 6834 1 788 . 1 1 73 73 LYS HE2 H 1 2.996 0.018 . 1 . . . . . . . . 6834 1 789 . 1 1 74 74 ASN H H 1 7.919 0.006 . 1 . . . . . . . . 6834 1 790 . 1 1 74 74 ASN N N 15 115.753 0.039 . 1 . . . . . . . . 6834 1 791 . 1 1 74 74 ASN CA C 13 50.129 0.024 . 1 . . . . . . . . 6834 1 792 . 1 1 74 74 ASN HA H 1 5.099 0.000 . 1 . . . . . . . . 6834 1 793 . 1 1 74 74 ASN CB C 13 39.662 0.012 . 1 . . . . . . . . 6834 1 794 . 1 1 74 74 ASN HB2 H 1 2.636 0.000 . 2 . . . . . . . . 6834 1 795 . 1 1 74 74 ASN HB3 H 1 2.946 0.000 . 2 . . . . . . . . 6834 1 796 . 1 1 74 74 ASN ND2 N 15 114.240 0.000 . 1 . . . . . . . . 6834 1 797 . 1 1 74 74 ASN HD21 H 1 6.954 0.002 . 2 . . . . . . . . 6834 1 798 . 1 1 74 74 ASN HD22 H 1 7.827 0.001 . 2 . . . . . . . . 6834 1 799 . 1 1 75 75 PRO CA C 13 64.925 0.033 . 1 . . . . . . . . 6834 1 800 . 1 1 75 75 PRO HA H 1 4.150 0.000 . 1 . . . . . . . . 6834 1 801 . 1 1 75 75 PRO CB C 13 31.902 0.002 . 1 . . . . . . . . 6834 1 802 . 1 1 75 75 PRO HB2 H 1 1.904 0.006 . 2 . . . . . . . . 6834 1 803 . 1 1 75 75 PRO HB3 H 1 2.271 0.005 . 2 . . . . . . . . 6834 1 804 . 1 1 75 75 PRO CG C 13 27.355 0.057 . 1 . . . . . . . . 6834 1 805 . 1 1 75 75 PRO HG2 H 1 2.063 0.007 . 1 . . . . . . . . 6834 1 806 . 1 1 75 75 PRO HG3 H 1 2.063 0.007 . 1 . . . . . . . . 6834 1 807 . 1 1 75 75 PRO CD C 13 50.837 0.000 . 1 . . . . . . . . 6834 1 808 . 1 1 75 75 PRO HD2 H 1 3.799 0.002 . 2 . . . . . . . . 6834 1 809 . 1 1 75 75 PRO HD3 H 1 3.935 0.006 . 2 . . . . . . . . 6834 1 810 . 1 1 76 76 GLU H H 1 9.027 0.008 . 1 . . . . . . . . 6834 1 811 . 1 1 76 76 GLU N N 15 116.156 0.004 . 1 . . . . . . . . 6834 1 812 . 1 1 76 76 GLU CA C 13 58.848 0.000 . 1 . . . . . . . . 6834 1 813 . 1 1 76 76 GLU HA H 1 3.958 0.000 . 1 . . . . . . . . 6834 1 814 . 1 1 76 76 GLU CB C 13 28.745 0.000 . 1 . . . . . . . . 6834 1 815 . 1 1 76 76 GLU HB2 H 1 1.803 0.082 . 1 . . . . . . . . 6834 1 816 . 1 1 76 76 GLU HB3 H 1 1.803 0.082 . 1 . . . . . . . . 6834 1 817 . 1 1 77 77 ASP H H 1 7.930 0.006 . 1 . . . . . . . . 6834 1 818 . 1 1 77 77 ASP N N 15 118.292 0.035 . 1 . . . . . . . . 6834 1 819 . 1 1 77 77 ASP CA C 13 54.260 0.035 . 1 . . . . . . . . 6834 1 820 . 1 1 77 77 ASP HA H 1 4.585 0.010 . 1 . . . . . . . . 6834 1 821 . 1 1 77 77 ASP CB C 13 41.147 0.015 . 1 . . . . . . . . 6834 1 822 . 1 1 77 77 ASP HB2 H 1 2.674 0.006 . 2 . . . . . . . . 6834 1 823 . 1 1 77 77 ASP HB3 H 1 2.918 0.000 . 2 . . . . . . . . 6834 1 824 . 1 1 78 78 LEU H H 1 7.117 0.012 . 1 . . . . . . . . 6834 1 825 . 1 1 78 78 LEU N N 15 121.896 0.033 . 1 . . . . . . . . 6834 1 826 . 1 1 78 78 LEU CA C 13 56.196 0.042 . 1 . . . . . . . . 6834 1 827 . 1 1 78 78 LEU HA H 1 3.958 0.002 . 1 . . . . . . . . 6834 1 828 . 1 1 78 78 LEU CB C 13 42.136 0.033 . 1 . . . . . . . . 6834 1 829 . 1 1 78 78 LEU HB2 H 1 1.286 0.007 . 2 . . . . . . . . 6834 1 830 . 1 1 78 78 LEU HB3 H 1 1.442 0.007 . 2 . . . . . . . . 6834 1 831 . 1 1 78 78 LEU CG C 13 26.890 0.036 . 1 . . . . . . . . 6834 1 832 . 1 1 78 78 LEU CD1 C 13 23.897 0.007 . 1 . . . . . . . . 6834 1 833 . 1 1 78 78 LEU HD11 H 1 0.352 0.007 . 1 . . . . . . . . 6834 1 834 . 1 1 78 78 LEU HD12 H 1 0.352 0.007 . 1 . . . . . . . . 6834 1 835 . 1 1 78 78 LEU HD13 H 1 0.352 0.007 . 1 . . . . . . . . 6834 1 836 . 1 1 78 78 LEU CD2 C 13 25.104 0.000 . 1 . . . . . . . . 6834 1 837 . 1 1 78 78 LEU HD21 H 1 0.350 0.017 . 1 . . . . . . . . 6834 1 838 . 1 1 78 78 LEU HD22 H 1 0.350 0.017 . 1 . . . . . . . . 6834 1 839 . 1 1 78 78 LEU HD23 H 1 0.350 0.017 . 1 . . . . . . . . 6834 1 840 . 1 1 78 78 LEU HG H 1 1.143 0.004 . 1 . . . . . . . . 6834 1 841 . 1 1 79 79 GLU H H 1 8.274 0.006 . 1 . . . . . . . . 6834 1 842 . 1 1 79 79 GLU N N 15 124.002 0.002 . 1 . . . . . . . . 6834 1 843 . 1 1 79 79 GLU CA C 13 55.426 0.026 . 1 . . . . . . . . 6834 1 844 . 1 1 79 79 GLU HA H 1 4.658 0.000 . 1 . . . . . . . . 6834 1 845 . 1 1 79 79 GLU CB C 13 33.358 0.000 . 1 . . . . . . . . 6834 1 846 . 1 1 79 79 GLU HB2 H 1 1.983 0.008 . 2 . . . . . . . . 6834 1 847 . 1 1 79 79 GLU HB3 H 1 2.058 0.006 . 2 . . . . . . . . 6834 1 848 . 1 1 79 79 GLU CG C 13 36.271 0.000 . 1 . . . . . . . . 6834 1 849 . 1 1 79 79 GLU HG2 H 1 2.133 0.004 . 2 . . . . . . . . 6834 1 850 . 1 1 79 79 GLU HG3 H 1 2.283 0.005 . 2 . . . . . . . . 6834 1 851 . 1 1 80 80 CYS H H 1 9.788 0.009 . 1 . . . . . . . . 6834 1 852 . 1 1 80 80 CYS N N 15 129.092 0.002 . 1 . . . . . . . . 6834 1 853 . 1 1 80 80 CYS CA C 13 58.592 0.036 . 1 . . . . . . . . 6834 1 854 . 1 1 80 80 CYS HA H 1 4.304 0.005 . 1 . . . . . . . . 6834 1 855 . 1 1 80 80 CYS CB C 13 24.379 0.014 . 1 . . . . . . . . 6834 1 856 . 1 1 80 80 CYS HB2 H 1 2.098 0.000 . 2 . . . . . . . . 6834 1 857 . 1 1 80 80 CYS HB3 H 1 2.966 0.000 . 2 . . . . . . . . 6834 1 858 . 1 1 81 81 ASN H H 1 7.056 0.004 . 1 . . . . . . . . 6834 1 859 . 1 1 81 81 ASN N N 15 121.021 0.035 . 1 . . . . . . . . 6834 1 860 . 1 1 81 81 ASN CA C 13 51.308 0.020 . 1 . . . . . . . . 6834 1 861 . 1 1 81 81 ASN HA H 1 4.852 0.009 . 1 . . . . . . . . 6834 1 862 . 1 1 81 81 ASN CB C 13 39.435 0.027 . 1 . . . . . . . . 6834 1 863 . 1 1 81 81 ASN HB2 H 1 2.825 0.002 . 2 . . . . . . . . 6834 1 864 . 1 1 81 81 ASN HB3 H 1 3.376 0.005 . 2 . . . . . . . . 6834 1 865 . 1 1 81 81 ASN ND2 N 15 113.708 0.001 . 1 . . . . . . . . 6834 1 866 . 1 1 81 81 ASN HD21 H 1 7.196 0.002 . 2 . . . . . . . . 6834 1 867 . 1 1 81 81 ASN HD22 H 1 7.984 0.007 . 2 . . . . . . . . 6834 1 868 . 1 1 82 82 GLU H H 1 8.603 0.003 . 1 . . . . . . . . 6834 1 869 . 1 1 82 82 GLU N N 15 117.021 0.035 . 1 . . . . . . . . 6834 1 870 . 1 1 82 82 GLU CA C 13 59.900 0.013 . 1 . . . . . . . . 6834 1 871 . 1 1 82 82 GLU HA H 1 3.855 0.003 . 1 . . . . . . . . 6834 1 872 . 1 1 82 82 GLU CB C 13 29.175 0.040 . 1 . . . . . . . . 6834 1 873 . 1 1 82 82 GLU HB2 H 1 2.022 0.007 . 1 . . . . . . . . 6834 1 874 . 1 1 82 82 GLU HB3 H 1 2.022 0.007 . 1 . . . . . . . . 6834 1 875 . 1 1 82 82 GLU CG C 13 36.028 0.000 . 1 . . . . . . . . 6834 1 876 . 1 1 82 82 GLU HG2 H 1 2.327 0.007 . 1 . . . . . . . . 6834 1 877 . 1 1 82 82 GLU HG3 H 1 2.327 0.007 . 1 . . . . . . . . 6834 1 878 . 1 1 83 83 ASN H H 1 8.176 0.003 . 1 . . . . . . . . 6834 1 879 . 1 1 83 83 ASN N N 15 118.904 0.022 . 1 . . . . . . . . 6834 1 880 . 1 1 83 83 ASN CA C 13 56.661 0.002 . 1 . . . . . . . . 6834 1 881 . 1 1 83 83 ASN HA H 1 4.529 0.000 . 1 . . . . . . . . 6834 1 882 . 1 1 83 83 ASN CB C 13 38.411 0.036 . 1 . . . . . . . . 6834 1 883 . 1 1 83 83 ASN HB2 H 1 2.865 0.001 . 2 . . . . . . . . 6834 1 884 . 1 1 83 83 ASN HB3 H 1 2.905 0.000 . 2 . . . . . . . . 6834 1 885 . 1 1 83 83 ASN ND2 N 15 113.286 0.000 . 1 . . . . . . . . 6834 1 886 . 1 1 83 83 ASN HD21 H 1 7.012 0.001 . 2 . . . . . . . . 6834 1 887 . 1 1 83 83 ASN HD22 H 1 7.704 0.004 . 2 . . . . . . . . 6834 1 888 . 1 1 84 84 VAL H H 1 8.262 0.006 . 1 . . . . . . . . 6834 1 889 . 1 1 84 84 VAL N N 15 121.033 0.003 . 1 . . . . . . . . 6834 1 890 . 1 1 84 84 VAL CA C 13 66.130 0.000 . 1 . . . . . . . . 6834 1 891 . 1 1 84 84 VAL HA H 1 3.688 0.004 . 1 . . . . . . . . 6834 1 892 . 1 1 84 84 VAL CB C 13 32.159 0.006 . 1 . . . . . . . . 6834 1 893 . 1 1 84 84 VAL HB H 1 2.182 0.003 . 1 . . . . . . . . 6834 1 894 . 1 1 84 84 VAL CG1 C 13 21.965 0.033 . 1 . . . . . . . . 6834 1 895 . 1 1 84 84 VAL HG11 H 1 1.022 0.003 . 1 . . . . . . . . 6834 1 896 . 1 1 84 84 VAL HG12 H 1 1.022 0.003 . 1 . . . . . . . . 6834 1 897 . 1 1 84 84 VAL HG13 H 1 1.022 0.003 . 1 . . . . . . . . 6834 1 898 . 1 1 84 84 VAL CG2 C 13 22.919 0.022 . 1 . . . . . . . . 6834 1 899 . 1 1 84 84 VAL HG21 H 1 1.301 0.003 . 1 . . . . . . . . 6834 1 900 . 1 1 84 84 VAL HG22 H 1 1.301 0.003 . 1 . . . . . . . . 6834 1 901 . 1 1 84 84 VAL HG23 H 1 1.301 0.003 . 1 . . . . . . . . 6834 1 902 . 1 1 85 85 LYS H H 1 8.413 0.009 . 1 . . . . . . . . 6834 1 903 . 1 1 85 85 LYS N N 15 123.604 0.044 . 1 . . . . . . . . 6834 1 904 . 1 1 85 85 LYS CA C 13 61.037 0.003 . 1 . . . . . . . . 6834 1 905 . 1 1 85 85 LYS HA H 1 3.274 0.020 . 1 . . . . . . . . 6834 1 906 . 1 1 85 85 LYS CB C 13 31.903 0.003 . 1 . . . . . . . . 6834 1 907 . 1 1 85 85 LYS HB2 H 1 1.112 0.009 . 2 . . . . . . . . 6834 1 908 . 1 1 85 85 LYS HB3 H 1 1.490 0.005 . 2 . . . . . . . . 6834 1 909 . 1 1 85 85 LYS CG C 13 26.577 0.033 . 1 . . . . . . . . 6834 1 910 . 1 1 85 85 LYS HG2 H 1 5.385 0.004 . 2 . . . . . . . . 6834 1 911 . 1 1 85 85 LYS HG3 H 1 1.095 0.015 . 2 . . . . . . . . 6834 1 912 . 1 1 85 85 LYS CD C 13 29.446 0.041 . 1 . . . . . . . . 6834 1 913 . 1 1 85 85 LYS HD2 H 1 1.104 0.009 . 1 . . . . . . . . 6834 1 914 . 1 1 85 85 LYS HD3 H 1 1.104 0.009 . 1 . . . . . . . . 6834 1 915 . 1 1 85 85 LYS CE C 13 41.621 0.018 . 1 . . . . . . . . 6834 1 916 . 1 1 85 85 LYS HE2 H 1 2.378 0.004 . 2 . . . . . . . . 6834 1 917 . 1 1 85 85 LYS HE3 H 1 2.500 0.003 . 2 . . . . . . . . 6834 1 918 . 1 1 86 86 HIS H H 1 8.377 0.003 . 1 . . . . . . . . 6834 1 919 . 1 1 86 86 HIS N N 15 119.352 0.025 . 1 . . . . . . . . 6834 1 920 . 1 1 86 86 HIS CA C 13 60.360 0.043 . 1 . . . . . . . . 6834 1 921 . 1 1 86 86 HIS HA H 1 4.349 0.019 . 1 . . . . . . . . 6834 1 922 . 1 1 86 86 HIS CB C 13 30.015 0.056 . 1 . . . . . . . . 6834 1 923 . 1 1 86 86 HIS HB2 H 1 3.344 0.002 . 1 . . . . . . . . 6834 1 924 . 1 1 86 86 HIS HB3 H 1 3.344 0.002 . 1 . . . . . . . . 6834 1 925 . 1 1 87 87 LYS H H 1 8.125 0.006 . 1 . . . . . . . . 6834 1 926 . 1 1 87 87 LYS N N 15 117.445 0.034 . 1 . . . . . . . . 6834 1 927 . 1 1 87 87 LYS CA C 13 59.090 0.000 . 1 . . . . . . . . 6834 1 928 . 1 1 87 87 LYS HA H 1 4.058 0.009 . 1 . . . . . . . . 6834 1 929 . 1 1 87 87 LYS CB C 13 32.149 0.006 . 1 . . . . . . . . 6834 1 930 . 1 1 87 87 LYS HB2 H 1 2.001 0.003 . 1 . . . . . . . . 6834 1 931 . 1 1 87 87 LYS HB3 H 1 2.001 0.003 . 1 . . . . . . . . 6834 1 932 . 1 1 87 87 LYS CG C 13 24.879 0.022 . 1 . . . . . . . . 6834 1 933 . 1 1 87 87 LYS HG2 H 1 1.658 0.002 . 1 . . . . . . . . 6834 1 934 . 1 1 87 87 LYS HG3 H 1 1.658 0.002 . 1 . . . . . . . . 6834 1 935 . 1 1 87 87 LYS CD C 13 29.692 0.029 . 1 . . . . . . . . 6834 1 936 . 1 1 87 87 LYS HD2 H 1 1.768 0.004 . 1 . . . . . . . . 6834 1 937 . 1 1 87 87 LYS HD3 H 1 1.768 0.004 . 1 . . . . . . . . 6834 1 938 . 1 1 87 87 LYS CE C 13 41.621 0.018 . 1 . . . . . . . . 6834 1 939 . 1 1 87 87 LYS HE2 H 1 3.002 0.003 . 1 . . . . . . . . 6834 1 940 . 1 1 87 87 LYS HE3 H 1 3.002 0.003 . 1 . . . . . . . . 6834 1 941 . 1 1 88 88 THR H H 1 8.345 0.011 . 1 . . . . . . . . 6834 1 942 . 1 1 88 88 THR N N 15 118.913 0.002 . 1 . . . . . . . . 6834 1 943 . 1 1 88 88 THR CA C 13 68.072 0.002 . 1 . . . . . . . . 6834 1 944 . 1 1 88 88 THR HA H 1 3.992 0.004 . 1 . . . . . . . . 6834 1 945 . 1 1 88 88 THR CB C 13 68.117 0.043 . 1 . . . . . . . . 6834 1 946 . 1 1 88 88 THR HB H 1 4.519 0.003 . 1 . . . . . . . . 6834 1 947 . 1 1 88 88 THR CG2 C 13 21.484 0.040 . 1 . . . . . . . . 6834 1 948 . 1 1 88 88 THR HG21 H 1 1.471 0.000 . 1 . . . . . . . . 6834 1 949 . 1 1 88 88 THR HG22 H 1 1.471 0.000 . 1 . . . . . . . . 6834 1 950 . 1 1 88 88 THR HG23 H 1 1.471 0.000 . 1 . . . . . . . . 6834 1 951 . 1 1 89 89 LYS H H 1 8.814 0.009 . 1 . . . . . . . . 6834 1 952 . 1 1 89 89 LYS N N 15 123.593 0.035 . 1 . . . . . . . . 6834 1 953 . 1 1 89 89 LYS CA C 13 60.783 0.018 . 1 . . . . . . . . 6834 1 954 . 1 1 89 89 LYS HA H 1 4.096 0.006 . 1 . . . . . . . . 6834 1 955 . 1 1 89 89 LYS CB C 13 32.400 0.009 . 1 . . . . . . . . 6834 1 956 . 1 1 89 89 LYS HB2 H 1 2.180 0.003 . 2 . . . . . . . . 6834 1 957 . 1 1 89 89 LYS HB3 H 1 2.217 0.000 . 2 . . . . . . . . 6834 1 958 . 1 1 89 89 LYS CG C 13 25.347 0.000 . 1 . . . . . . . . 6834 1 959 . 1 1 89 89 LYS HG2 H 1 1.630 0.007 . 2 . . . . . . . . 6834 1 960 . 1 1 89 89 LYS HG3 H 1 1.687 0.003 . 2 . . . . . . . . 6834 1 961 . 1 1 89 89 LYS CD C 13 29.716 0.000 . 1 . . . . . . . . 6834 1 962 . 1 1 89 89 LYS HD2 H 1 1.889 0.004 . 1 . . . . . . . . 6834 1 963 . 1 1 89 89 LYS HD3 H 1 1.889 0.004 . 1 . . . . . . . . 6834 1 964 . 1 1 89 89 LYS CE C 13 41.907 0.000 . 1 . . . . . . . . 6834 1 965 . 1 1 89 89 LYS HE2 H 1 3.093 0.004 . 1 . . . . . . . . 6834 1 966 . 1 1 89 89 LYS HE3 H 1 3.093 0.004 . 1 . . . . . . . . 6834 1 967 . 1 1 90 90 GLU H H 1 7.712 0.009 . 1 . . . . . . . . 6834 1 968 . 1 1 90 90 GLU N N 15 117.849 0.012 . 1 . . . . . . . . 6834 1 969 . 1 1 90 90 GLU CA C 13 59.123 0.043 . 1 . . . . . . . . 6834 1 970 . 1 1 90 90 GLU HA H 1 4.064 0.009 . 1 . . . . . . . . 6834 1 971 . 1 1 90 90 GLU CB C 13 29.455 0.032 . 1 . . . . . . . . 6834 1 972 . 1 1 90 90 GLU HB2 H 1 2.021 0.002 . 2 . . . . . . . . 6834 1 973 . 1 1 90 90 GLU HB3 H 1 2.093 0.004 . 2 . . . . . . . . 6834 1 974 . 1 1 90 90 GLU CG C 13 36.225 0.056 . 1 . . . . . . . . 6834 1 975 . 1 1 90 90 GLU HG2 H 1 2.184 0.022 . 2 . . . . . . . . 6834 1 976 . 1 1 90 90 GLU HG3 H 1 2.252 0.003 . 2 . . . . . . . . 6834 1 977 . 1 1 91 91 TYR H H 1 8.128 0.009 . 1 . . . . . . . . 6834 1 978 . 1 1 91 91 TYR N N 15 121.244 0.007 . 1 . . . . . . . . 6834 1 979 . 1 1 91 91 TYR CA C 13 61.032 0.000 . 1 . . . . . . . . 6834 1 980 . 1 1 91 91 TYR HA H 1 4.300 0.004 . 1 . . . . . . . . 6834 1 981 . 1 1 91 91 TYR CB C 13 38.440 0.023 . 1 . . . . . . . . 6834 1 982 . 1 1 91 91 TYR HB2 H 1 3.327 0.007 . 1 . . . . . . . . 6834 1 983 . 1 1 91 91 TYR HB3 H 1 3.327 0.007 . 1 . . . . . . . . 6834 1 984 . 1 1 91 91 TYR CD1 C 13 132.690 0.000 . 1 . . . . . . . . 6834 1 985 . 1 1 91 91 TYR HD1 H 1 7.040 0.002 . 1 . . . . . . . . 6834 1 986 . 1 1 91 91 TYR CD2 C 13 132.690 0.000 . 1 . . . . . . . . 6834 1 987 . 1 1 91 91 TYR HD2 H 1 7.040 0.002 . 1 . . . . . . . . 6834 1 988 . 1 1 91 91 TYR CE1 C 13 117.833 0.000 . 1 . . . . . . . . 6834 1 989 . 1 1 91 91 TYR HE1 H 1 6.716 0.006 . 1 . . . . . . . . 6834 1 990 . 1 1 91 91 TYR CE2 C 13 117.833 0.000 . 1 . . . . . . . . 6834 1 991 . 1 1 91 91 TYR HE2 H 1 6.716 0.006 . 1 . . . . . . . . 6834 1 992 . 1 1 92 92 ILE H H 1 8.636 0.010 . 1 . . . . . . . . 6834 1 993 . 1 1 92 92 ILE N N 15 119.987 0.033 . 1 . . . . . . . . 6834 1 994 . 1 1 92 92 ILE CA C 13 65.898 0.011 . 1 . . . . . . . . 6834 1 995 . 1 1 92 92 ILE HA H 1 3.311 0.018 . 1 . . . . . . . . 6834 1 996 . 1 1 92 92 ILE CB C 13 37.917 0.035 . 1 . . . . . . . . 6834 1 997 . 1 1 92 92 ILE HB H 1 1.962 0.004 . 1 . . . . . . . . 6834 1 998 . 1 1 92 92 ILE CG2 C 13 16.873 0.027 . 1 . . . . . . . . 6834 1 999 . 1 1 92 92 ILE HG21 H 1 0.705 0.000 . 1 . . . . . . . . 6834 1 1000 . 1 1 92 92 ILE HG22 H 1 0.705 0.000 . 1 . . . . . . . . 6834 1 1001 . 1 1 92 92 ILE HG23 H 1 0.705 0.000 . 1 . . . . . . . . 6834 1 1002 . 1 1 92 92 ILE CG1 C 13 30.426 0.019 . 1 . . . . . . . . 6834 1 1003 . 1 1 92 92 ILE HG12 H 1 0.974 0.006 . 2 . . . . . . . . 6834 1 1004 . 1 1 92 92 ILE HG13 H 1 2.116 0.004 . 2 . . . . . . . . 6834 1 1005 . 1 1 92 92 ILE CD1 C 13 14.907 0.002 . 1 . . . . . . . . 6834 1 1006 . 1 1 92 92 ILE HD11 H 1 0.870 0.002 . 1 . . . . . . . . 6834 1 1007 . 1 1 92 92 ILE HD12 H 1 0.870 0.002 . 1 . . . . . . . . 6834 1 1008 . 1 1 92 92 ILE HD13 H 1 0.870 0.002 . 1 . . . . . . . . 6834 1 1009 . 1 1 93 93 LYS H H 1 7.891 0.011 . 1 . . . . . . . . 6834 1 1010 . 1 1 93 93 LYS N N 15 118.913 0.003 . 1 . . . . . . . . 6834 1 1011 . 1 1 93 93 LYS CA C 13 59.880 0.050 . 1 . . . . . . . . 6834 1 1012 . 1 1 93 93 LYS HA H 1 4.056 0.004 . 1 . . . . . . . . 6834 1 1013 . 1 1 93 93 LYS CB C 13 32.460 0.058 . 1 . . . . . . . . 6834 1 1014 . 1 1 93 93 LYS HB2 H 1 1.913 0.001 . 2 . . . . . . . . 6834 1 1015 . 1 1 93 93 LYS HB3 H 1 2.016 0.008 . 2 . . . . . . . . 6834 1 1016 . 1 1 93 93 LYS HG2 H 1 1.662 0.000 . 1 . . . . . . . . 6834 1 1017 . 1 1 93 93 LYS HG3 H 1 1.662 0.000 . 1 . . . . . . . . 6834 1 1018 . 1 1 94 94 LYS H H 1 7.541 0.005 . 1 . . . . . . . . 6834 1 1019 . 1 1 94 94 LYS N N 15 117.429 0.003 . 1 . . . . . . . . 6834 1 1020 . 1 1 94 94 LYS CA C 13 59.063 0.000 . 1 . . . . . . . . 6834 1 1021 . 1 1 94 94 LYS HA H 1 4.012 0.007 . 1 . . . . . . . . 6834 1 1022 . 1 1 94 94 LYS CB C 13 32.402 0.000 . 1 . . . . . . . . 6834 1 1023 . 1 1 94 94 LYS HB2 H 1 1.880 0.004 . 1 . . . . . . . . 6834 1 1024 . 1 1 94 94 LYS HB3 H 1 1.880 0.004 . 1 . . . . . . . . 6834 1 1025 . 1 1 95 95 TYR H H 1 8.569 0.003 . 1 . . . . . . . . 6834 1 1026 . 1 1 95 95 TYR N N 15 123.148 0.019 . 1 . . . . . . . . 6834 1 1027 . 1 1 95 95 TYR CA C 13 61.722 0.050 . 1 . . . . . . . . 6834 1 1028 . 1 1 95 95 TYR HA H 1 3.754 0.012 . 1 . . . . . . . . 6834 1 1029 . 1 1 95 95 TYR CB C 13 39.454 0.038 . 1 . . . . . . . . 6834 1 1030 . 1 1 95 95 TYR HB2 H 1 2.537 0.000 . 2 . . . . . . . . 6834 1 1031 . 1 1 95 95 TYR HB3 H 1 2.867 0.000 . 2 . . . . . . . . 6834 1 1032 . 1 1 95 95 TYR CD1 C 13 133.369 0.000 . 1 . . . . . . . . 6834 1 1033 . 1 1 95 95 TYR HD1 H 1 7.020 0.007 . 1 . . . . . . . . 6834 1 1034 . 1 1 95 95 TYR CD2 C 13 133.369 0.000 . 1 . . . . . . . . 6834 1 1035 . 1 1 95 95 TYR HD2 H 1 7.020 0.007 . 1 . . . . . . . . 6834 1 1036 . 1 1 95 95 TYR CE1 C 13 118.221 0.000 . 1 . . . . . . . . 6834 1 1037 . 1 1 95 95 TYR HE1 H 1 6.896 0.008 . 1 . . . . . . . . 6834 1 1038 . 1 1 95 95 TYR CE2 C 13 118.221 0.000 . 1 . . . . . . . . 6834 1 1039 . 1 1 95 95 TYR HE2 H 1 6.896 0.008 . 1 . . . . . . . . 6834 1 1040 . 1 1 96 96 MET H H 1 8.215 0.004 . 1 . . . . . . . . 6834 1 1041 . 1 1 96 96 MET N N 15 111.704 0.003 . 1 . . . . . . . . 6834 1 1042 . 1 1 96 96 MET CA C 13 54.963 0.000 . 1 . . . . . . . . 6834 1 1043 . 1 1 96 96 MET HA H 1 4.757 0.002 . 1 . . . . . . . . 6834 1 1044 . 1 1 96 96 MET CB C 13 29.938 0.026 . 1 . . . . . . . . 6834 1 1045 . 1 1 96 96 MET HB2 H 1 1.847 0.005 . 2 . . . . . . . . 6834 1 1046 . 1 1 96 96 MET HB3 H 1 1.961 0.002 . 2 . . . . . . . . 6834 1 1047 . 1 1 96 96 MET CG C 13 30.436 0.016 . 1 . . . . . . . . 6834 1 1048 . 1 1 96 96 MET HG2 H 1 1.206 0.005 . 2 . . . . . . . . 6834 1 1049 . 1 1 96 96 MET HG3 H 1 2.619 0.004 . 2 . . . . . . . . 6834 1 1050 . 1 1 96 96 MET CE C 13 16.363 0.008 . 1 . . . . . . . . 6834 1 1051 . 1 1 96 96 MET HE1 H 1 1.460 0.003 . 1 . . . . . . . . 6834 1 1052 . 1 1 96 96 MET HE2 H 1 1.460 0.003 . 1 . . . . . . . . 6834 1 1053 . 1 1 96 96 MET HE3 H 1 1.460 0.003 . 1 . . . . . . . . 6834 1 1054 . 1 1 97 97 GLN H H 1 7.315 0.007 . 1 . . . . . . . . 6834 1 1055 . 1 1 97 97 GLN N N 15 113.835 0.029 . 1 . . . . . . . . 6834 1 1056 . 1 1 97 97 GLN CA C 13 57.146 0.023 . 1 . . . . . . . . 6834 1 1057 . 1 1 97 97 GLN HA H 1 4.096 0.000 . 1 . . . . . . . . 6834 1 1058 . 1 1 97 97 GLN CB C 13 28.455 0.049 . 1 . . . . . . . . 6834 1 1059 . 1 1 97 97 GLN HB2 H 1 2.192 0.002 . 1 . . . . . . . . 6834 1 1060 . 1 1 97 97 GLN HB3 H 1 2.192 0.002 . 1 . . . . . . . . 6834 1 1061 . 1 1 97 97 GLN CG C 13 34.090 0.044 . 1 . . . . . . . . 6834 1 1062 . 1 1 97 97 GLN HG2 H 1 2.515 0.004 . 2 . . . . . . . . 6834 1 1063 . 1 1 97 97 GLN HG3 H 1 2.678 0.000 . 2 . . . . . . . . 6834 1 1064 . 1 1 97 97 GLN NE2 N 15 111.164 0.000 . 1 . . . . . . . . 6834 1 1065 . 1 1 97 97 GLN HE21 H 1 6.890 0.001 . 2 . . . . . . . . 6834 1 1066 . 1 1 97 97 GLN HE22 H 1 7.420 0.000 . 2 . . . . . . . . 6834 1 1067 . 1 1 98 98 LYS H H 1 7.136 0.006 . 1 . . . . . . . . 6834 1 1068 . 1 1 98 98 LYS N N 15 116.157 0.003 . 1 . . . . . . . . 6834 1 1069 . 1 1 98 98 LYS CA C 13 57.407 0.004 . 1 . . . . . . . . 6834 1 1070 . 1 1 98 98 LYS HA H 1 4.049 0.007 . 1 . . . . . . . . 6834 1 1071 . 1 1 98 98 LYS CB C 13 31.664 0.014 . 1 . . . . . . . . 6834 1 1072 . 1 1 98 98 LYS HB2 H 1 1.401 0.000 . 1 . . . . . . . . 6834 1 1073 . 1 1 98 98 LYS HB3 H 1 1.401 0.000 . 1 . . . . . . . . 6834 1 1074 . 1 1 98 98 LYS CG C 13 23.405 0.000 . 1 . . . . . . . . 6834 1 1075 . 1 1 98 98 LYS HG2 H 1 0.831 0.001 . 2 . . . . . . . . 6834 1 1076 . 1 1 98 98 LYS HG3 H 1 1.122 0.002 . 2 . . . . . . . . 6834 1 1077 . 1 1 98 98 LYS CD C 13 28.976 0.029 . 1 . . . . . . . . 6834 1 1078 . 1 1 98 98 LYS HD2 H 1 1.312 0.000 . 1 . . . . . . . . 6834 1 1079 . 1 1 98 98 LYS HD3 H 1 1.312 0.000 . 1 . . . . . . . . 6834 1 1080 . 1 1 98 98 LYS CE C 13 41.854 0.000 . 1 . . . . . . . . 6834 1 1081 . 1 1 98 98 LYS HE2 H 1 2.568 0.003 . 2 . . . . . . . . 6834 1 1082 . 1 1 98 98 LYS HE3 H 1 2.637 0.004 . 2 . . . . . . . . 6834 1 1083 . 1 1 99 99 PHE H H 1 7.328 0.008 . 1 . . . . . . . . 6834 1 1084 . 1 1 99 99 PHE N N 15 116.581 0.003 . 1 . . . . . . . . 6834 1 1085 . 1 1 99 99 PHE CA C 13 59.361 0.040 . 1 . . . . . . . . 6834 1 1086 . 1 1 99 99 PHE HA H 1 4.336 0.001 . 1 . . . . . . . . 6834 1 1087 . 1 1 99 99 PHE CB C 13 40.153 0.002 . 1 . . . . . . . . 6834 1 1088 . 1 1 99 99 PHE HB2 H 1 2.685 0.007 . 2 . . . . . . . . 6834 1 1089 . 1 1 99 99 PHE HB3 H 1 3.590 0.010 . 2 . . . . . . . . 6834 1 1090 . 1 1 99 99 PHE CD1 C 13 131.427 0.000 . 1 . . . . . . . . 6834 1 1091 . 1 1 99 99 PHE HD1 H 1 7.570 0.015 . 1 . . . . . . . . 6834 1 1092 . 1 1 99 99 PHE CD2 C 13 131.427 0.000 . 1 . . . . . . . . 6834 1 1093 . 1 1 99 99 PHE HD2 H 1 7.570 0.015 . 1 . . . . . . . . 6834 1 1094 . 1 1 99 99 PHE CE1 C 13 132.884 0.000 . 1 . . . . . . . . 6834 1 1095 . 1 1 99 99 PHE HE1 H 1 7.317 0.007 . 1 . . . . . . . . 6834 1 1096 . 1 1 99 99 PHE CE2 C 13 132.884 0.000 . 1 . . . . . . . . 6834 1 1097 . 1 1 99 99 PHE HE2 H 1 7.317 0.007 . 1 . . . . . . . . 6834 1 1098 . 1 1 99 99 PHE CZ C 13 129.679 0.000 . 1 . . . . . . . . 6834 1 1099 . 1 1 99 99 PHE HZ H 1 7.381 0.000 . 1 . . . . . . . . 6834 1 1100 . 1 1 100 100 GLY H H 1 7.702 0.001 . 1 . . . . . . . . 6834 1 1101 . 1 1 100 100 GLY N N 15 105.765 0.004 . 1 . . . . . . . . 6834 1 1102 . 1 1 100 100 GLY CA C 13 44.725 0.043 . 1 . . . . . . . . 6834 1 1103 . 1 1 100 100 GLY HA2 H 1 4.192 0.001 . 2 . . . . . . . . 6834 1 1104 . 1 1 100 100 GLY HA3 H 1 3.955 0.002 . 2 . . . . . . . . 6834 1 1105 . 1 1 101 101 ALA H H 1 8.761 0.003 . 1 . . . . . . . . 6834 1 1106 . 1 1 101 101 ALA N N 15 125.699 0.002 . 1 . . . . . . . . 6834 1 1107 . 1 1 101 101 ALA CA C 13 55.206 0.003 . 1 . . . . . . . . 6834 1 1108 . 1 1 101 101 ALA HA H 1 4.508 0.004 . 1 . . . . . . . . 6834 1 1109 . 1 1 101 101 ALA CB C 13 19.437 0.031 . 1 . . . . . . . . 6834 1 1110 . 1 1 101 101 ALA HB1 H 1 1.549 0.010 . 1 . . . . . . . . 6834 1 1111 . 1 1 101 101 ALA HB2 H 1 1.549 0.010 . 1 . . . . . . . . 6834 1 1112 . 1 1 101 101 ALA HB3 H 1 1.549 0.010 . 1 . . . . . . . . 6834 1 1113 . 1 1 102 102 VAL H H 1 7.733 0.005 . 1 . . . . . . . . 6834 1 1114 . 1 1 102 102 VAL N N 15 111.704 0.003 . 1 . . . . . . . . 6834 1 1115 . 1 1 102 102 VAL CA C 13 59.661 0.004 . 1 . . . . . . . . 6834 1 1116 . 1 1 102 102 VAL HA H 1 4.938 0.003 . 1 . . . . . . . . 6834 1 1117 . 1 1 102 102 VAL CB C 13 36.028 0.000 . 1 . . . . . . . . 6834 1 1118 . 1 1 102 102 VAL HB H 1 1.987 0.013 . 1 . . . . . . . . 6834 1 1119 . 1 1 102 102 VAL CG1 C 13 20.492 0.000 . 1 . . . . . . . . 6834 1 1120 . 1 1 102 102 VAL HG11 H 1 0.870 0.000 . 1 . . . . . . . . 6834 1 1121 . 1 1 102 102 VAL HG12 H 1 0.870 0.000 . 1 . . . . . . . . 6834 1 1122 . 1 1 102 102 VAL HG13 H 1 0.870 0.000 . 1 . . . . . . . . 6834 1 1123 . 1 1 102 102 VAL CG2 C 13 21.728 0.040 . 1 . . . . . . . . 6834 1 1124 . 1 1 102 102 VAL HG21 H 1 0.933 0.005 . 1 . . . . . . . . 6834 1 1125 . 1 1 102 102 VAL HG22 H 1 0.933 0.005 . 1 . . . . . . . . 6834 1 1126 . 1 1 102 102 VAL HG23 H 1 0.933 0.005 . 1 . . . . . . . . 6834 1 1127 . 1 1 103 103 TYR H H 1 9.279 0.008 . 1 . . . . . . . . 6834 1 1128 . 1 1 103 103 TYR N N 15 125.502 0.035 . 1 . . . . . . . . 6834 1 1129 . 1 1 103 103 TYR CA C 13 59.079 0.034 . 1 . . . . . . . . 6834 1 1130 . 1 1 103 103 TYR HA H 1 3.538 0.003 . 1 . . . . . . . . 6834 1 1131 . 1 1 103 103 TYR CB C 13 38.443 0.025 . 1 . . . . . . . . 6834 1 1132 . 1 1 103 103 TYR HB2 H 1 2.347 0.002 . 2 . . . . . . . . 6834 1 1133 . 1 1 103 103 TYR HB3 H 1 2.490 0.001 . 2 . . . . . . . . 6834 1 1134 . 1 1 103 103 TYR CD1 C 13 131.816 0.000 . 1 . . . . . . . . 6834 1 1135 . 1 1 103 103 TYR HD1 H 1 5.979 0.005 . 1 . . . . . . . . 6834 1 1136 . 1 1 103 103 TYR CD2 C 13 131.816 0.000 . 1 . . . . . . . . 6834 1 1137 . 1 1 103 103 TYR HD2 H 1 5.979 0.005 . 1 . . . . . . . . 6834 1 1138 . 1 1 103 103 TYR CE1 C 13 118.027 0.000 . 1 . . . . . . . . 6834 1 1139 . 1 1 103 103 TYR HE1 H 1 6.538 0.008 . 1 . . . . . . . . 6834 1 1140 . 1 1 103 103 TYR CE2 C 13 118.027 0.000 . 1 . . . . . . . . 6834 1 1141 . 1 1 103 103 TYR HE2 H 1 6.538 0.008 . 1 . . . . . . . . 6834 1 1142 . 1 1 104 104 LYS H H 1 5.717 0.003 . 1 . . . . . . . . 6834 1 1143 . 1 1 104 104 LYS N N 15 128.880 0.001 . 1 . . . . . . . . 6834 1 1144 . 1 1 104 104 LYS CA C 13 52.527 0.025 . 1 . . . . . . . . 6834 1 1145 . 1 1 104 104 LYS HA H 1 4.341 0.000 . 1 . . . . . . . . 6834 1 1146 . 1 1 104 104 LYS CB C 13 34.591 0.035 . 1 . . . . . . . . 6834 1 1147 . 1 1 104 104 LYS HB2 H 1 1.545 0.000 . 2 . . . . . . . . 6834 1 1148 . 1 1 104 104 LYS HB3 H 1 1.656 0.003 . 2 . . . . . . . . 6834 1 1149 . 1 1 104 104 LYS CG C 13 24.133 0.000 . 1 . . . . . . . . 6834 1 1150 . 1 1 104 104 LYS HG2 H 1 1.260 0.000 . 2 . . . . . . . . 6834 1 1151 . 1 1 104 104 LYS HG3 H 1 1.404 0.000 . 2 . . . . . . . . 6834 1 1152 . 1 1 104 104 LYS CD C 13 29.231 0.000 . 1 . . . . . . . . 6834 1 1153 . 1 1 104 104 LYS HD2 H 1 1.702 0.002 . 1 . . . . . . . . 6834 1 1154 . 1 1 104 104 LYS HD3 H 1 1.702 0.002 . 1 . . . . . . . . 6834 1 1155 . 1 1 104 104 LYS CE C 13 41.907 0.000 . 1 . . . . . . . . 6834 1 1156 . 1 1 104 104 LYS HE2 H 1 2.936 0.000 . 1 . . . . . . . . 6834 1 1157 . 1 1 105 105 PRO CA C 13 63.926 0.024 . 1 . . . . . . . . 6834 1 1158 . 1 1 105 105 PRO HA H 1 4.054 0.000 . 1 . . . . . . . . 6834 1 1159 . 1 1 105 105 PRO CB C 13 31.902 0.002 . 1 . . . . . . . . 6834 1 1160 . 1 1 105 105 PRO HB2 H 1 1.678 0.000 . 2 . . . . . . . . 6834 1 1161 . 1 1 105 105 PRO HB3 H 1 1.969 0.000 . 2 . . . . . . . . 6834 1 1162 . 1 1 105 105 PRO CG C 13 27.046 0.000 . 1 . . . . . . . . 6834 1 1163 . 1 1 105 105 PRO HG2 H 1 1.864 0.003 . 2 . . . . . . . . 6834 1 1164 . 1 1 105 105 PRO HG3 H 1 1.928 0.003 . 2 . . . . . . . . 6834 1 1165 . 1 1 105 105 PRO CD C 13 50.856 0.034 . 1 . . . . . . . . 6834 1 1166 . 1 1 105 105 PRO HD2 H 1 2.942 0.007 . 2 . . . . . . . . 6834 1 1167 . 1 1 105 105 PRO HD3 H 1 3.541 0.000 . 2 . . . . . . . . 6834 1 1168 . 1 1 106 106 LYS H H 1 8.273 0.007 . 1 . . . . . . . . 6834 1 1169 . 1 1 106 106 LYS N N 15 117.636 0.018 . 1 . . . . . . . . 6834 1 1170 . 1 1 106 106 LYS CA C 13 57.176 0.034 . 1 . . . . . . . . 6834 1 1171 . 1 1 106 106 LYS HA H 1 4.232 0.006 . 1 . . . . . . . . 6834 1 1172 . 1 1 106 106 LYS CB C 13 32.636 0.010 . 1 . . . . . . . . 6834 1 1173 . 1 1 106 106 LYS HB2 H 1 1.820 0.000 . 1 . . . . . . . . 6834 1 1174 . 1 1 106 106 LYS HB3 H 1 1.820 0.000 . 1 . . . . . . . . 6834 1 1175 . 1 1 106 106 LYS CG C 13 25.124 0.025 . 1 . . . . . . . . 6834 1 1176 . 1 1 106 106 LYS HG2 H 1 1.447 0.000 . 1 . . . . . . . . 6834 1 1177 . 1 1 106 106 LYS HG3 H 1 1.447 0.000 . 1 . . . . . . . . 6834 1 1178 . 1 1 106 106 LYS CD C 13 28.955 0.040 . 1 . . . . . . . . 6834 1 1179 . 1 1 106 106 LYS HD2 H 1 1.690 0.004 . 1 . . . . . . . . 6834 1 1180 . 1 1 106 106 LYS HD3 H 1 1.690 0.004 . 1 . . . . . . . . 6834 1 1181 . 1 1 106 106 LYS CE C 13 41.865 0.021 . 1 . . . . . . . . 6834 1 1182 . 1 1 106 106 LYS HE2 H 1 2.971 0.002 . 1 . . . . . . . . 6834 1 1183 . 1 1 106 106 LYS HE3 H 1 2.971 0.002 . 1 . . . . . . . . 6834 1 1184 . 1 1 107 107 GLU H H 1 8.001 0.004 . 1 . . . . . . . . 6834 1 1185 . 1 1 107 107 GLU N N 15 118.480 0.026 . 1 . . . . . . . . 6834 1 1186 . 1 1 107 107 GLU CA C 13 55.888 0.037 . 1 . . . . . . . . 6834 1 1187 . 1 1 107 107 GLU HA H 1 4.387 0.001 . 1 . . . . . . . . 6834 1 1188 . 1 1 107 107 GLU CB C 13 29.716 0.000 . 1 . . . . . . . . 6834 1 1189 . 1 1 107 107 GLU HB2 H 1 1.964 0.000 . 2 . . . . . . . . 6834 1 1190 . 1 1 107 107 GLU HB3 H 1 2.304 0.000 . 2 . . . . . . . . 6834 1 1191 . 1 1 107 107 GLU CG C 13 36.514 0.000 . 1 . . . . . . . . 6834 1 1192 . 1 1 107 107 GLU HG2 H 1 2.252 0.000 . 1 . . . . . . . . 6834 1 1193 . 1 1 107 107 GLU HG3 H 1 2.252 0.000 . 1 . . . . . . . . 6834 1 1194 . 1 1 108 108 ASP H H 1 7.948 0.013 . 1 . . . . . . . . 6834 1 1195 . 1 1 108 108 ASP N N 15 120.843 0.040 . 1 . . . . . . . . 6834 1 1196 . 1 1 108 108 ASP CA C 13 54.012 0.032 . 1 . . . . . . . . 6834 1 1197 . 1 1 108 108 ASP HA H 1 4.889 0.001 . 1 . . . . . . . . 6834 1 1198 . 1 1 108 108 ASP CB C 13 41.388 0.019 . 1 . . . . . . . . 6834 1 1199 . 1 1 108 108 ASP HB2 H 1 2.729 0.000 . 2 . . . . . . . . 6834 1 1200 . 1 1 108 108 ASP HB3 H 1 3.017 0.000 . 2 . . . . . . . . 6834 1 1201 . 1 1 109 109 THR H H 1 8.122 0.005 . 1 . . . . . . . . 6834 1 1202 . 1 1 109 109 THR N N 15 113.188 0.003 . 1 . . . . . . . . 6834 1 1203 . 1 1 109 109 THR CA C 13 61.433 0.033 . 1 . . . . . . . . 6834 1 1204 . 1 1 109 109 THR HA H 1 4.429 0.002 . 1 . . . . . . . . 6834 1 1205 . 1 1 109 109 THR CB C 13 69.950 0.046 . 1 . . . . . . . . 6834 1 1206 . 1 1 109 109 THR HB H 1 4.358 0.009 . 1 . . . . . . . . 6834 1 1207 . 1 1 109 109 THR CG2 C 13 21.420 0.021 . 1 . . . . . . . . 6834 1 1208 . 1 1 109 109 THR HG21 H 1 1.168 0.000 . 1 . . . . . . . . 6834 1 1209 . 1 1 109 109 THR HG22 H 1 1.168 0.000 . 1 . . . . . . . . 6834 1 1210 . 1 1 109 109 THR HG23 H 1 1.168 0.000 . 1 . . . . . . . . 6834 1 1211 . 1 1 110 110 GLU H H 1 8.423 0.004 . 1 . . . . . . . . 6834 1 1212 . 1 1 110 110 GLU N N 15 122.306 0.002 . 1 . . . . . . . . 6834 1 1213 . 1 1 110 110 GLU CA C 13 56.683 0.042 . 1 . . . . . . . . 6834 1 1214 . 1 1 110 110 GLU HA H 1 4.336 0.001 . 1 . . . . . . . . 6834 1 1215 . 1 1 110 110 GLU CB C 13 30.215 0.034 . 1 . . . . . . . . 6834 1 1216 . 1 1 110 110 GLU HB2 H 1 2.043 0.001 . 2 . . . . . . . . 6834 1 1217 . 1 1 110 110 GLU HB3 H 1 2.140 0.000 . 2 . . . . . . . . 6834 1 1218 . 1 1 110 110 GLU CG C 13 36.271 0.000 . 1 . . . . . . . . 6834 1 1219 . 1 1 110 110 GLU HG2 H 1 2.304 0.000 . 1 . . . . . . . . 6834 1 1220 . 1 1 110 110 GLU HG3 H 1 2.304 0.000 . 1 . . . . . . . . 6834 1 1221 . 1 1 111 111 LEU H H 1 8.392 0.010 . 1 . . . . . . . . 6834 1 1222 . 1 1 111 111 LEU N N 15 122.941 0.003 . 1 . . . . . . . . 6834 1 1223 . 1 1 111 111 LEU CA C 13 55.155 0.009 . 1 . . . . . . . . 6834 1 1224 . 1 1 111 111 LEU HA H 1 4.385 0.002 . 1 . . . . . . . . 6834 1 1225 . 1 1 111 111 LEU CB C 13 42.368 0.041 . 1 . . . . . . . . 6834 1 1226 . 1 1 111 111 LEU HB2 H 1 1.634 0.002 . 2 . . . . . . . . 6834 1 1227 . 1 1 111 111 LEU HB3 H 1 1.690 0.004 . 2 . . . . . . . . 6834 1 1228 . 1 1 111 111 LEU CG C 13 27.083 0.052 . 1 . . . . . . . . 6834 1 1229 . 1 1 111 111 LEU CD1 C 13 23.632 0.038 . 1 . . . . . . . . 6834 1 1230 . 1 1 111 111 LEU HD11 H 1 0.828 0.004 . 1 . . . . . . . . 6834 1 1231 . 1 1 111 111 LEU HD12 H 1 0.828 0.004 . 1 . . . . . . . . 6834 1 1232 . 1 1 111 111 LEU HD13 H 1 0.828 0.004 . 1 . . . . . . . . 6834 1 1233 . 1 1 111 111 LEU CD2 C 13 25.348 0.032 . 1 . . . . . . . . 6834 1 1234 . 1 1 111 111 LEU HD21 H 1 0.888 0.005 . 1 . . . . . . . . 6834 1 1235 . 1 1 111 111 LEU HD22 H 1 0.888 0.005 . 1 . . . . . . . . 6834 1 1236 . 1 1 111 111 LEU HD23 H 1 0.888 0.005 . 1 . . . . . . . . 6834 1 1237 . 1 1 111 111 LEU HG H 1 1.682 0.006 . 1 . . . . . . . . 6834 1 1238 . 1 1 112 112 GLU H H 1 7.929 0.011 . 1 . . . . . . . . 6834 1 1239 . 1 1 112 112 GLU N N 15 126.139 0.034 . 1 . . . . . . . . 6834 1 1240 . 1 1 112 112 GLU CA C 13 57.924 0.025 . 1 . . . . . . . . 6834 1 1241 . 1 1 112 112 GLU HA H 1 4.143 0.000 . 1 . . . . . . . . 6834 1 1242 . 1 1 112 112 GLU CB C 13 31.185 0.031 . 1 . . . . . . . . 6834 1 1243 . 1 1 112 112 GLU HB2 H 1 1.923 0.000 . 2 . . . . . . . . 6834 1 1244 . 1 1 112 112 GLU HB3 H 1 2.064 0.000 . 2 . . . . . . . . 6834 1 1245 . 1 1 112 112 GLU CG C 13 36.707 0.050 . 1 . . . . . . . . 6834 1 1246 . 1 1 112 112 GLU HG2 H 1 2.208 0.000 . 1 . . . . . . . . 6834 1 1247 . 1 1 112 112 GLU HG3 H 1 2.208 0.000 . 1 . . . . . . . . 6834 1 stop_ save_