data_5013 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5013 _Entry.Title ; 1H, 15N and 13C Assignments of the Catalytic Domain of E6-associated Protein (E6AP) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-05-18 _Entry.Accession_date 2001-05-18 _Entry.Last_release_date 2002-01-23 _Entry.Original_release_date 2002-01-23 _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 Yu-Sung Wu . . . 5013 2 Peter Domaille . J. . 5013 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5013 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 747 5013 '13C chemical shifts' 492 5013 '15N chemical shifts' 118 5013 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 1 . . 2002-01-23 2001-05-18 original author . 5013 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5013 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21631521 _Citation.DOI . _Citation.PubMed_ID 11775746 _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C Assignments of the Catalytic Domain of E6-associated Protein (E6AP) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 21 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 285 _Citation.Page_last 286 _Citation.Year 2001 _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 Yu-Sung Wu . . . 5013 1 2 Peter Domaille . J. . 5013 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID E6AP 5013 1 'ubiquitin ligase' 5013 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_E6AP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_E6AP _Assembly.Entry_ID 5013 _Assembly.ID 1 _Assembly.Name 'E6AP catalytic domain' _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 5013 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 'E6AP catalytic domain' 1 $cat-E6AP . . . native . . . . . 5013 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'E6AP catalytic domain' system 5013 1 E6AP abbreviation 5013 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Ubiquitin protein ligase' 5013 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cat-E6AP _Entity.Sf_category entity _Entity.Sf_framecode cat-E6AP _Entity.Entry_ID 5013 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'E6-associated protein' _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 ; ELLICGSRNLDFQALEETTE YDGGYTRDSVLIREFWEIVH SFTDEQKRLFLQFTTGTDRA PVGGLGKLKMIIAKNGPDTE RLPTSHTCFNVLLLPEYSSK EKLKERLLKAITYAKGFGML ; _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 120 _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 1C4Z . "Structure Of E6ap: Insights Into Ubiquitination Pathway" . . . . . 100.00 358 100.00 100.00 5.82e-79 . . . . 5013 1 2 no PDB 1D5F . "Structure Of An E6ap-Ubch7 Complex: Insights Into The Ubiquitination Pathway" . . . . . 100.00 358 100.00 100.00 5.82e-79 . . . . 5013 1 3 no DBJ BAD69554 . "ubiquitin ligase E3A isoform 1 [Homo sapiens]" . . . . . 100.00 852 100.00 100.00 1.82e-75 . . . . 5013 1 4 no DBJ BAD90321 . "mKIAA4216 protein [Mus musculus]" . . . . . 100.00 906 98.33 100.00 5.40e-74 . . . . 5013 1 5 no DBJ BAE02425 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 813 100.00 100.00 6.71e-76 . . . . 5013 1 6 no DBJ BAE37676 . "unnamed protein product [Mus musculus]" . . . . . 100.00 233 98.33 100.00 1.65e-79 . . . . 5013 1 7 no DBJ BAF84094 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 852 100.00 100.00 1.61e-75 . . . . 5013 1 8 no EMBL CAA66653 . "E6-AP [Homo sapiens]" . . . . . 100.00 852 100.00 100.00 1.78e-75 . . . . 5013 1 9 no EMBL CAA66654 . "E6-AP [Homo sapiens]" . . . . . 100.00 852 100.00 100.00 1.78e-75 . . . . 5013 1 10 no EMBL CAA66655 . "E6-AP [Homo sapiens]" . . . . . 100.00 852 100.00 100.00 1.78e-75 . . . . 5013 1 11 no EMBL CAA66656 . "E6-AP [Homo sapiens]" . . . . . 100.00 852 100.00 100.00 1.78e-75 . . . . 5013 1 12 no EMBL CAH92897 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 852 100.00 100.00 1.73e-75 . . . . 5013 1 13 no GB AAA35542 . "oncogenic protein-associated protein, partial [Homo sapiens]" . . . . . 100.00 874 100.00 100.00 1.56e-75 . . . . 5013 1 14 no GB AAB47756 . "E6-AP ubiquitin-protein ligase [Mus musculus]" . . . . . 100.00 849 98.33 100.00 2.19e-74 . . . . 5013 1 15 no GB AAB49301 . "E6-associated protein E6-AP/ubiquitin-protein ligase [Homo sapiens]" . . . . . 100.00 852 100.00 100.00 1.61e-75 . . . . 5013 1 16 no GB AAB69154 . "E6-AP ubiquitin-protein ligase [Homo sapiens]" . . . . . 100.00 852 100.00 100.00 1.61e-75 . . . . 5013 1 17 no GB AAC83345 . "E6-AP ubiquitin protein ligase [Mus spretus]" . . . . . 100.00 849 98.33 100.00 2.17e-74 . . . . 5013 1 18 no PIR A38920 . "E6-associated protein - human (fragment)" . . . . . 100.00 874 100.00 100.00 1.56e-75 . . . . 5013 1 19 no REF NP_000453 . "ubiquitin-protein ligase E3A isoform 2 [Homo sapiens]" . . . . . 100.00 875 100.00 100.00 2.73e-75 . . . . 5013 1 20 no REF NP_001029134 . "ubiquitin-protein ligase E3A isoform 3 [Mus musculus]" . . . . . 100.00 849 98.33 100.00 1.79e-74 . . . . 5013 1 21 no REF NP_001091932 . "ubiquitin-protein ligase E3A [Bos taurus]" . . . . . 100.00 875 99.17 100.00 4.40e-75 . . . . 5013 1 22 no REF NP_001126699 . "ubiquitin-protein ligase E3A [Pongo abelii]" . . . . . 100.00 852 100.00 100.00 1.73e-75 . . . . 5013 1 23 no REF NP_001178766 . "ubiquitin-protein ligase E3A [Rattus norvegicus]" . . . . . 100.00 868 98.33 100.00 1.78e-74 . . . . 5013 1 24 no SP Q05086 . "RecName: Full=Ubiquitin-protein ligase E3A; AltName: Full=E6AP ubiquitin-protein ligase; AltName: Full=Human papillomavirus E6-" . . . . . 100.00 875 100.00 100.00 2.73e-75 . . . . 5013 1 25 no TPG DAA17742 . "TPA: ubiquitin protein ligase E3A [Bos taurus]" . . . . . 100.00 875 99.17 100.00 4.40e-75 . . . . 5013 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'E6-associated protein' common 5013 1 E6AP abbreviation 5013 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 . GLU . 5013 1 2 . LEU . 5013 1 3 . LEU . 5013 1 4 . ILE . 5013 1 5 . CYS . 5013 1 6 . GLY . 5013 1 7 . SER . 5013 1 8 . ARG . 5013 1 9 . ASN . 5013 1 10 . LEU . 5013 1 11 . ASP . 5013 1 12 . PHE . 5013 1 13 . GLN . 5013 1 14 . ALA . 5013 1 15 . LEU . 5013 1 16 . GLU . 5013 1 17 . GLU . 5013 1 18 . THR . 5013 1 19 . THR . 5013 1 20 . GLU . 5013 1 21 . TYR . 5013 1 22 . ASP . 5013 1 23 . GLY . 5013 1 24 . GLY . 5013 1 25 . TYR . 5013 1 26 . THR . 5013 1 27 . ARG . 5013 1 28 . ASP . 5013 1 29 . SER . 5013 1 30 . VAL . 5013 1 31 . LEU . 5013 1 32 . ILE . 5013 1 33 . ARG . 5013 1 34 . GLU . 5013 1 35 . PHE . 5013 1 36 . TRP . 5013 1 37 . GLU . 5013 1 38 . ILE . 5013 1 39 . VAL . 5013 1 40 . HIS . 5013 1 41 . SER . 5013 1 42 . PHE . 5013 1 43 . THR . 5013 1 44 . ASP . 5013 1 45 . GLU . 5013 1 46 . GLN . 5013 1 47 . LYS . 5013 1 48 . ARG . 5013 1 49 . LEU . 5013 1 50 . PHE . 5013 1 51 . LEU . 5013 1 52 . GLN . 5013 1 53 . PHE . 5013 1 54 . THR . 5013 1 55 . THR . 5013 1 56 . GLY . 5013 1 57 . THR . 5013 1 58 . ASP . 5013 1 59 . ARG . 5013 1 60 . ALA . 5013 1 61 . PRO . 5013 1 62 . VAL . 5013 1 63 . GLY . 5013 1 64 . GLY . 5013 1 65 . LEU . 5013 1 66 . GLY . 5013 1 67 . LYS . 5013 1 68 . LEU . 5013 1 69 . LYS . 5013 1 70 . MET . 5013 1 71 . ILE . 5013 1 72 . ILE . 5013 1 73 . ALA . 5013 1 74 . LYS . 5013 1 75 . ASN . 5013 1 76 . GLY . 5013 1 77 . PRO . 5013 1 78 . ASP . 5013 1 79 . THR . 5013 1 80 . GLU . 5013 1 81 . ARG . 5013 1 82 . LEU . 5013 1 83 . PRO . 5013 1 84 . THR . 5013 1 85 . SER . 5013 1 86 . HIS . 5013 1 87 . THR . 5013 1 88 . CYS . 5013 1 89 . PHE . 5013 1 90 . ASN . 5013 1 91 . VAL . 5013 1 92 . LEU . 5013 1 93 . LEU . 5013 1 94 . LEU . 5013 1 95 . PRO . 5013 1 96 . GLU . 5013 1 97 . TYR . 5013 1 98 . SER . 5013 1 99 . SER . 5013 1 100 . LYS . 5013 1 101 . GLU . 5013 1 102 . LYS . 5013 1 103 . LEU . 5013 1 104 . LYS . 5013 1 105 . GLU . 5013 1 106 . ARG . 5013 1 107 . LEU . 5013 1 108 . LEU . 5013 1 109 . LYS . 5013 1 110 . ALA . 5013 1 111 . ILE . 5013 1 112 . THR . 5013 1 113 . TYR . 5013 1 114 . ALA . 5013 1 115 . LYS . 5013 1 116 . GLY . 5013 1 117 . PHE . 5013 1 118 . GLY . 5013 1 119 . MET . 5013 1 120 . LEU . 5013 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 . GLU 1 1 5013 1 . LEU 2 2 5013 1 . LEU 3 3 5013 1 . ILE 4 4 5013 1 . CYS 5 5 5013 1 . GLY 6 6 5013 1 . SER 7 7 5013 1 . ARG 8 8 5013 1 . ASN 9 9 5013 1 . LEU 10 10 5013 1 . ASP 11 11 5013 1 . PHE 12 12 5013 1 . GLN 13 13 5013 1 . ALA 14 14 5013 1 . LEU 15 15 5013 1 . GLU 16 16 5013 1 . GLU 17 17 5013 1 . THR 18 18 5013 1 . THR 19 19 5013 1 . GLU 20 20 5013 1 . TYR 21 21 5013 1 . ASP 22 22 5013 1 . GLY 23 23 5013 1 . GLY 24 24 5013 1 . TYR 25 25 5013 1 . THR 26 26 5013 1 . ARG 27 27 5013 1 . ASP 28 28 5013 1 . SER 29 29 5013 1 . VAL 30 30 5013 1 . LEU 31 31 5013 1 . ILE 32 32 5013 1 . ARG 33 33 5013 1 . GLU 34 34 5013 1 . PHE 35 35 5013 1 . TRP 36 36 5013 1 . GLU 37 37 5013 1 . ILE 38 38 5013 1 . VAL 39 39 5013 1 . HIS 40 40 5013 1 . SER 41 41 5013 1 . PHE 42 42 5013 1 . THR 43 43 5013 1 . ASP 44 44 5013 1 . GLU 45 45 5013 1 . GLN 46 46 5013 1 . LYS 47 47 5013 1 . ARG 48 48 5013 1 . LEU 49 49 5013 1 . PHE 50 50 5013 1 . LEU 51 51 5013 1 . GLN 52 52 5013 1 . PHE 53 53 5013 1 . THR 54 54 5013 1 . THR 55 55 5013 1 . GLY 56 56 5013 1 . THR 57 57 5013 1 . ASP 58 58 5013 1 . ARG 59 59 5013 1 . ALA 60 60 5013 1 . PRO 61 61 5013 1 . VAL 62 62 5013 1 . GLY 63 63 5013 1 . GLY 64 64 5013 1 . LEU 65 65 5013 1 . GLY 66 66 5013 1 . LYS 67 67 5013 1 . LEU 68 68 5013 1 . LYS 69 69 5013 1 . MET 70 70 5013 1 . ILE 71 71 5013 1 . ILE 72 72 5013 1 . ALA 73 73 5013 1 . LYS 74 74 5013 1 . ASN 75 75 5013 1 . GLY 76 76 5013 1 . PRO 77 77 5013 1 . ASP 78 78 5013 1 . THR 79 79 5013 1 . GLU 80 80 5013 1 . ARG 81 81 5013 1 . LEU 82 82 5013 1 . PRO 83 83 5013 1 . THR 84 84 5013 1 . SER 85 85 5013 1 . HIS 86 86 5013 1 . THR 87 87 5013 1 . CYS 88 88 5013 1 . PHE 89 89 5013 1 . ASN 90 90 5013 1 . VAL 91 91 5013 1 . LEU 92 92 5013 1 . LEU 93 93 5013 1 . LEU 94 94 5013 1 . PRO 95 95 5013 1 . GLU 96 96 5013 1 . TYR 97 97 5013 1 . SER 98 98 5013 1 . SER 99 99 5013 1 . LYS 100 100 5013 1 . GLU 101 101 5013 1 . LYS 102 102 5013 1 . LEU 103 103 5013 1 . LYS 104 104 5013 1 . GLU 105 105 5013 1 . ARG 106 106 5013 1 . LEU 107 107 5013 1 . LEU 108 108 5013 1 . LYS 109 109 5013 1 . ALA 110 110 5013 1 . ILE 111 111 5013 1 . THR 112 112 5013 1 . TYR 113 113 5013 1 . ALA 114 114 5013 1 . LYS 115 115 5013 1 . GLY 116 116 5013 1 . PHE 117 117 5013 1 . GLY 118 118 5013 1 . MET 119 119 5013 1 . LEU 120 120 5013 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 5013 _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 $cat-E6AP . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5013 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 5013 _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 $cat-E6AP . 'recombinant technology' . 'E coli.' . . . . . . . . . . . . . . . . . plasmid . . pGEX-4T . . . 'The protein contains cloning artifacts: Gly and Ser at the N-terminal.' . . 5013 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5013 _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 'E6-associated protein' '[U-15N; U-13C]' . . 1 $cat-E6AP . . 0.9 . . mM . . . . 5013 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5013 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.2 n/a 5013 1 temperature 298 0.1 K 5013 1 stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 5013 _Software.ID 1 _Software.Name ANSIG _Software.Version 3.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 5013 1 'peak assignments' 5013 1 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 5013 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5013 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker Avance . 600 . . . 5013 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 5013 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5013 1 2 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5013 1 3 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5013 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5013 1 5 HBCB/HACACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5013 1 6 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5013 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 5013 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 5013 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 5013 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONH _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 5013 _NMR_spec_expt.ID 4 _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5013 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HBCB/HACACONH _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 5013 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 5013 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5013 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5013 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5013 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5013 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 . 5013 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 2 2 LEU N N 15 122.58 0.01 . 1 . . . . . . . . 5013 1 2 . 1 1 2 2 LEU H H 1 8.211 0.004 . 1 . . . . . . . . 5013 1 3 . 1 1 3 3 LEU N N 15 123.09 0.00 . 1 . . . . . . . . 5013 1 4 . 1 1 3 3 LEU H H 1 8.155 0.001 . 1 . . . . . . . . 5013 1 5 . 1 1 3 3 LEU CA C 13 54.97 0.00 . 1 . . . . . . . . 5013 1 6 . 1 1 3 3 LEU CB C 13 42.19 0.00 . 1 . . . . . . . . 5013 1 7 . 1 1 4 4 ILE N N 15 121.67 0.01 . 1 . . . . . . . . 5013 1 8 . 1 1 4 4 ILE H H 1 8.106 0.003 . 1 . . . . . . . . 5013 1 9 . 1 1 4 4 ILE CA C 13 61.05 0.05 . 1 . . . . . . . . 5013 1 10 . 1 1 4 4 ILE HA H 1 4.239 0.008 . 1 . . . . . . . . 5013 1 11 . 1 1 4 4 ILE C C 13 176.19 0.00 . 1 . . . . . . . . 5013 1 12 . 1 1 4 4 ILE CB C 13 38.56 0.01 . 1 . . . . . . . . 5013 1 13 . 1 1 4 4 ILE HB H 1 1.945 0.006 . 1 . . . . . . . . 5013 1 14 . 1 1 4 4 ILE CG1 C 13 27.22 0.00 . 1 . . . . . . . . 5013 1 15 . 1 1 4 4 ILE HG12 H 1 1.528 0.002 . 2 . . . . . . . . 5013 1 16 . 1 1 4 4 ILE HG13 H 1 1.240 0.008 . 2 . . . . . . . . 5013 1 17 . 1 1 4 4 ILE CG2 C 13 17.52 0.06 . 1 . . . . . . . . 5013 1 18 . 1 1 4 4 ILE HG21 H 1 0.956 0.010 . 1 . . . . . . . . 5013 1 19 . 1 1 4 4 ILE HG22 H 1 0.956 0.010 . 1 . . . . . . . . 5013 1 20 . 1 1 4 4 ILE HG23 H 1 0.956 0.010 . 1 . . . . . . . . 5013 1 21 . 1 1 4 4 ILE CD1 C 13 12.80 0.03 . 1 . . . . . . . . 5013 1 22 . 1 1 4 4 ILE HD11 H 1 0.909 0.014 . 1 . . . . . . . . 5013 1 23 . 1 1 4 4 ILE HD12 H 1 0.909 0.014 . 1 . . . . . . . . 5013 1 24 . 1 1 4 4 ILE HD13 H 1 0.909 0.014 . 1 . . . . . . . . 5013 1 25 . 1 1 5 5 CYS N N 15 123.43 0.07 . 1 . . . . . . . . 5013 1 26 . 1 1 5 5 CYS H H 1 8.431 0.004 . 1 . . . . . . . . 5013 1 27 . 1 1 5 5 CYS CA C 13 58.77 0.05 . 1 . . . . . . . . 5013 1 28 . 1 1 5 5 CYS HA H 1 4.543 0.015 . 1 . . . . . . . . 5013 1 29 . 1 1 5 5 CYS CB C 13 28.09 0.08 . 1 . . . . . . . . 5013 1 30 . 1 1 5 5 CYS HB2 H 1 2.987 0.014 . 1 . . . . . . . . 5013 1 31 . 1 1 8 8 ARG CA C 13 56.10 0.00 . 1 . . . . . . . . 5013 1 32 . 1 1 8 8 ARG HA H 1 4.491 0.000 . 1 . . . . . . . . 5013 1 33 . 1 1 8 8 ARG C C 13 176.08 0.00 . 1 . . . . . . . . 5013 1 34 . 1 1 8 8 ARG CB C 13 30.56 0.00 . 1 . . . . . . . . 5013 1 35 . 1 1 8 8 ARG HB2 H 1 1.993 0.000 . 2 . . . . . . . . 5013 1 36 . 1 1 8 8 ARG HB3 H 1 1.831 0.000 . 2 . . . . . . . . 5013 1 37 . 1 1 8 8 ARG CG C 13 27.19 0.00 . 1 . . . . . . . . 5013 1 38 . 1 1 8 8 ARG CD C 13 43.42 0.00 . 1 . . . . . . . . 5013 1 39 . 1 1 8 8 ARG HG2 H 1 1.720 0.000 . 1 . . . . . . . . 5013 1 40 . 1 1 8 8 ARG HD2 H 1 3.277 0.000 . 1 . . . . . . . . 5013 1 41 . 1 1 9 9 ASN N N 15 119.43 0.03 . 1 . . . . . . . . 5013 1 42 . 1 1 9 9 ASN H H 1 8.567 0.000 . 1 . . . . . . . . 5013 1 43 . 1 1 9 9 ASN CA C 13 53.60 0.04 . 1 . . . . . . . . 5013 1 44 . 1 1 9 9 ASN HA H 1 4.734 0.007 . 1 . . . . . . . . 5013 1 45 . 1 1 9 9 ASN C C 13 175.04 0.00 . 1 . . . . . . . . 5013 1 46 . 1 1 9 9 ASN CB C 13 39.00 0.04 . 1 . . . . . . . . 5013 1 47 . 1 1 9 9 ASN HB2 H 1 2.908 0.015 . 2 . . . . . . . . 5013 1 48 . 1 1 9 9 ASN HB3 H 1 2.827 0.009 . 2 . . . . . . . . 5013 1 49 . 1 1 9 9 ASN ND2 N 15 112.93 0.06 . 1 . . . . . . . . 5013 1 50 . 1 1 9 9 ASN HD21 H 1 7.686 0.003 . 2 . . . . . . . . 5013 1 51 . 1 1 9 9 ASN HD22 H 1 7.010 0.003 . 2 . . . . . . . . 5013 1 52 . 1 1 10 10 LEU N N 15 123.13 0.00 . 1 . . . . . . . . 5013 1 53 . 1 1 10 10 LEU H H 1 8.604 0.003 . 1 . . . . . . . . 5013 1 54 . 1 1 10 10 LEU CA C 13 54.25 0.09 . 1 . . . . . . . . 5013 1 55 . 1 1 10 10 LEU HA H 1 4.496 0.012 . 1 . . . . . . . . 5013 1 56 . 1 1 10 10 LEU C C 13 175.35 0.00 . 1 . . . . . . . . 5013 1 57 . 1 1 10 10 LEU CB C 13 42.49 0.03 . 1 . . . . . . . . 5013 1 58 . 1 1 10 10 LEU HB2 H 1 1.889 0.003 . 2 . . . . . . . . 5013 1 59 . 1 1 10 10 LEU HB3 H 1 1.529 0.008 . 2 . . . . . . . . 5013 1 60 . 1 1 10 10 LEU CG C 13 26.99 0.00 . 1 . . . . . . . . 5013 1 61 . 1 1 10 10 LEU HG H 1 1.768 0.003 . 1 . . . . . . . . 5013 1 62 . 1 1 10 10 LEU CD1 C 13 25.79 0.01 . 2 . . . . . . . . 5013 1 63 . 1 1 10 10 LEU HD11 H 1 1.082 0.001 . 2 . . . . . . . . 5013 1 64 . 1 1 10 10 LEU HD12 H 1 1.082 0.001 . 2 . . . . . . . . 5013 1 65 . 1 1 10 10 LEU HD13 H 1 1.082 0.001 . 2 . . . . . . . . 5013 1 66 . 1 1 10 10 LEU CD2 C 13 24.03 0.00 . 2 . . . . . . . . 5013 1 67 . 1 1 10 10 LEU HD21 H 1 1.010 0.001 . 2 . . . . . . . . 5013 1 68 . 1 1 10 10 LEU HD22 H 1 1.010 0.001 . 2 . . . . . . . . 5013 1 69 . 1 1 10 10 LEU HD23 H 1 1.010 0.001 . 2 . . . . . . . . 5013 1 70 . 1 1 11 11 ASP N N 15 122.50 0.01 . 1 . . . . . . . . 5013 1 71 . 1 1 11 11 ASP H H 1 8.223 0.004 . 1 . . . . . . . . 5013 1 72 . 1 1 11 11 ASP CA C 13 53.26 0.07 . 1 . . . . . . . . 5013 1 73 . 1 1 11 11 ASP HA H 1 4.898 0.006 . 1 . . . . . . . . 5013 1 74 . 1 1 11 11 ASP C C 13 176.44 0.00 . 1 . . . . . . . . 5013 1 75 . 1 1 11 11 ASP CB C 13 40.92 0.06 . 1 . . . . . . . . 5013 1 76 . 1 1 11 11 ASP HB2 H 1 3.121 0.004 . 2 . . . . . . . . 5013 1 77 . 1 1 11 11 ASP HB3 H 1 2.696 0.013 . 2 . . . . . . . . 5013 1 78 . 1 1 12 12 PHE N N 15 126.00 0.00 . 1 . . . . . . . . 5013 1 79 . 1 1 12 12 PHE H H 1 9.488 0.004 . 1 . . . . . . . . 5013 1 80 . 1 1 12 12 PHE CA C 13 58.43 0.04 . 1 . . . . . . . . 5013 1 81 . 1 1 12 12 PHE HA H 1 4.666 0.015 . 1 . . . . . . . . 5013 1 82 . 1 1 12 12 PHE C C 13 178.21 0.00 . 1 . . . . . . . . 5013 1 83 . 1 1 12 12 PHE CB C 13 38.19 0.09 . 1 . . . . . . . . 5013 1 84 . 1 1 12 12 PHE HB2 H 1 3.592 0.008 . 2 . . . . . . . . 5013 1 85 . 1 1 12 12 PHE HB3 H 1 3.472 0.007 . 2 . . . . . . . . 5013 1 86 . 1 1 12 12 PHE CD1 C 13 130.51 0.17 . 1 . . . . . . . . 5013 1 87 . 1 1 12 12 PHE HD1 H 1 7.201 0.014 . 1 . . . . . . . . 5013 1 88 . 1 1 12 12 PHE CE1 C 13 129.09 0.04 . 1 . . . . . . . . 5013 1 89 . 1 1 12 12 PHE HE1 H 1 7.608 0.006 . 1 . . . . . . . . 5013 1 90 . 1 1 13 13 GLN N N 15 124.62 0.02 . 1 . . . . . . . . 5013 1 91 . 1 1 13 13 GLN H H 1 8.893 0.007 . 1 . . . . . . . . 5013 1 92 . 1 1 13 13 GLN CA C 13 60.14 0.01 . 1 . . . . . . . . 5013 1 93 . 1 1 13 13 GLN HA H 1 3.946 0.002 . 1 . . . . . . . . 5013 1 94 . 1 1 13 13 GLN C C 13 178.08 0.00 . 1 . . . . . . . . 5013 1 95 . 1 1 13 13 GLN CB C 13 27.51 0.07 . 1 . . . . . . . . 5013 1 96 . 1 1 13 13 GLN HB2 H 1 2.296 0.002 . 2 . . . . . . . . 5013 1 97 . 1 1 13 13 GLN HB3 H 1 2.177 0.008 . 2 . . . . . . . . 5013 1 98 . 1 1 13 13 GLN CG C 13 33.94 0.13 . 1 . . . . . . . . 5013 1 99 . 1 1 13 13 GLN HG2 H 1 2.397 0.002 . 1 . . . . . . . . 5013 1 100 . 1 1 13 13 GLN HG3 H 1 2.283 0.001 . 1 . . . . . . . . 5013 1 101 . 1 1 13 13 GLN NE2 N 15 112.03 0.03 . 1 . . . . . . . . 5013 1 102 . 1 1 13 13 GLN HE21 H 1 7.532 0.009 . 2 . . . . . . . . 5013 1 103 . 1 1 13 13 GLN HE22 H 1 6.577 0.007 . 2 . . . . . . . . 5013 1 104 . 1 1 14 14 ALA N N 15 121.49 0.03 . 1 . . . . . . . . 5013 1 105 . 1 1 14 14 ALA H H 1 7.815 0.003 . 1 . . . . . . . . 5013 1 106 . 1 1 14 14 ALA CA C 13 54.28 0.06 . 1 . . . . . . . . 5013 1 107 . 1 1 14 14 ALA HA H 1 4.133 0.017 . 1 . . . . . . . . 5013 1 108 . 1 1 14 14 ALA C C 13 179.87 0.00 . 1 . . . . . . . . 5013 1 109 . 1 1 14 14 ALA CB C 13 18.15 0.04 . 1 . . . . . . . . 5013 1 110 . 1 1 14 14 ALA HB1 H 1 1.425 0.010 . 1 . . . . . . . . 5013 1 111 . 1 1 14 14 ALA HB2 H 1 1.425 0.010 . 1 . . . . . . . . 5013 1 112 . 1 1 14 14 ALA HB3 H 1 1.425 0.010 . 1 . . . . . . . . 5013 1 113 . 1 1 15 15 LEU N N 15 116.48 0.04 . 1 . . . . . . . . 5013 1 114 . 1 1 15 15 LEU H H 1 6.919 0.007 . 1 . . . . . . . . 5013 1 115 . 1 1 15 15 LEU CA C 13 56.81 0.06 . 1 . . . . . . . . 5013 1 116 . 1 1 15 15 LEU HA H 1 4.059 0.015 . 1 . . . . . . . . 5013 1 117 . 1 1 15 15 LEU C C 13 179.23 0.00 . 1 . . . . . . . . 5013 1 118 . 1 1 15 15 LEU CB C 13 42.73 0.04 . 1 . . . . . . . . 5013 1 119 . 1 1 15 15 LEU HB2 H 1 2.067 0.005 . 2 . . . . . . . . 5013 1 120 . 1 1 15 15 LEU HB3 H 1 1.275 0.017 . 2 . . . . . . . . 5013 1 121 . 1 1 15 15 LEU CG C 13 27.01 0.00 . 1 . . . . . . . . 5013 1 122 . 1 1 15 15 LEU HG H 1 1.736 0.002 . 1 . . . . . . . . 5013 1 123 . 1 1 15 15 LEU CD1 C 13 24.40 0.01 . 2 . . . . . . . . 5013 1 124 . 1 1 15 15 LEU HD11 H 1 1.048 0.001 . 2 . . . . . . . . 5013 1 125 . 1 1 15 15 LEU HD12 H 1 1.048 0.001 . 2 . . . . . . . . 5013 1 126 . 1 1 15 15 LEU HD13 H 1 1.048 0.001 . 2 . . . . . . . . 5013 1 127 . 1 1 15 15 LEU CD2 C 13 25.83 0.11 . 2 . . . . . . . . 5013 1 128 . 1 1 15 15 LEU HD21 H 1 0.721 0.013 . 2 . . . . . . . . 5013 1 129 . 1 1 15 15 LEU HD22 H 1 0.721 0.013 . 2 . . . . . . . . 5013 1 130 . 1 1 15 15 LEU HD23 H 1 0.721 0.013 . 2 . . . . . . . . 5013 1 131 . 1 1 16 16 GLU N N 15 121.88 0.04 . 1 . . . . . . . . 5013 1 132 . 1 1 16 16 GLU H H 1 7.926 0.006 . 1 . . . . . . . . 5013 1 133 . 1 1 16 16 GLU CA C 13 59.95 0.07 . 1 . . . . . . . . 5013 1 134 . 1 1 16 16 GLU HA H 1 3.096 0.011 . 1 . . . . . . . . 5013 1 135 . 1 1 16 16 GLU C C 13 179.13 0.00 . 1 . . . . . . . . 5013 1 136 . 1 1 16 16 GLU CB C 13 27.81 0.05 . 1 . . . . . . . . 5013 1 137 . 1 1 16 16 GLU CG C 13 34.25 0.07 . 1 . . . . . . . . 5013 1 138 . 1 1 16 16 GLU HG2 H 1 1.394 0.014 . 2 . . . . . . . . 5013 1 139 . 1 1 16 16 GLU HG3 H 1 0.454 0.018 . 2 . . . . . . . . 5013 1 140 . 1 1 16 16 GLU HB2 H 1 0.760 0.009 . 1 . . . . . . . . 5013 1 141 . 1 1 17 17 GLU N N 15 116.49 0.03 . 1 . . . . . . . . 5013 1 142 . 1 1 17 17 GLU H H 1 7.679 0.003 . 1 . . . . . . . . 5013 1 143 . 1 1 17 17 GLU CA C 13 58.82 0.02 . 1 . . . . . . . . 5013 1 144 . 1 1 17 17 GLU HA H 1 4.057 0.005 . 1 . . . . . . . . 5013 1 145 . 1 1 17 17 GLU C C 13 177.87 0.00 . 1 . . . . . . . . 5013 1 146 . 1 1 17 17 GLU CB C 13 29.81 0.02 . 1 . . . . . . . . 5013 1 147 . 1 1 17 17 GLU CG C 13 36.18 0.06 . 1 . . . . . . . . 5013 1 148 . 1 1 17 17 GLU HG2 H 1 2.435 0.000 . 1 . . . . . . . . 5013 1 149 . 1 1 17 17 GLU HG3 H 1 2.325 0.001 . 1 . . . . . . . . 5013 1 150 . 1 1 17 17 GLU HB2 H 1 2.150 0.003 . 1 . . . . . . . . 5013 1 151 . 1 1 18 18 THR N N 15 106.27 0.02 . 1 . . . . . . . . 5013 1 152 . 1 1 18 18 THR H H 1 7.299 0.009 . 1 . . . . . . . . 5013 1 153 . 1 1 18 18 THR CA C 13 60.82 0.05 . 1 . . . . . . . . 5013 1 154 . 1 1 18 18 THR HA H 1 4.586 0.012 . 1 . . . . . . . . 5013 1 155 . 1 1 18 18 THR C C 13 174.87 0.00 . 1 . . . . . . . . 5013 1 156 . 1 1 18 18 THR CB C 13 69.92 0.03 . 1 . . . . . . . . 5013 1 157 . 1 1 18 18 THR HB H 1 4.567 0.010 . 1 . . . . . . . . 5013 1 158 . 1 1 18 18 THR CG2 C 13 21.84 0.01 . 1 . . . . . . . . 5013 1 159 . 1 1 18 18 THR HG21 H 1 1.375 0.010 . 1 . . . . . . . . 5013 1 160 . 1 1 18 18 THR HG22 H 1 1.375 0.010 . 1 . . . . . . . . 5013 1 161 . 1 1 18 18 THR HG23 H 1 1.375 0.010 . 1 . . . . . . . . 5013 1 162 . 1 1 19 19 THR N N 15 122.65 0.03 . 1 . . . . . . . . 5013 1 163 . 1 1 19 19 THR H H 1 7.328 0.006 . 1 . . . . . . . . 5013 1 164 . 1 1 19 19 THR CA C 13 65.44 0.05 . 1 . . . . . . . . 5013 1 165 . 1 1 19 19 THR HA H 1 4.614 0.010 . 1 . . . . . . . . 5013 1 166 . 1 1 19 19 THR C C 13 173.18 0.00 . 1 . . . . . . . . 5013 1 167 . 1 1 19 19 THR CB C 13 69.64 0.06 . 1 . . . . . . . . 5013 1 168 . 1 1 19 19 THR HB H 1 4.233 0.008 . 1 . . . . . . . . 5013 1 169 . 1 1 19 19 THR CG2 C 13 22.44 0.09 . 1 . . . . . . . . 5013 1 170 . 1 1 19 19 THR HG21 H 1 1.059 0.014 . 1 . . . . . . . . 5013 1 171 . 1 1 19 19 THR HG22 H 1 1.059 0.014 . 1 . . . . . . . . 5013 1 172 . 1 1 19 19 THR HG23 H 1 1.059 0.014 . 1 . . . . . . . . 5013 1 173 . 1 1 20 20 GLU N N 15 126.17 0.02 . 1 . . . . . . . . 5013 1 174 . 1 1 20 20 GLU H H 1 8.395 0.004 . 1 . . . . . . . . 5013 1 175 . 1 1 20 20 GLU CA C 13 54.17 0.05 . 1 . . . . . . . . 5013 1 176 . 1 1 20 20 GLU HA H 1 4.613 0.011 . 1 . . . . . . . . 5013 1 177 . 1 1 20 20 GLU C C 13 173.57 0.00 . 1 . . . . . . . . 5013 1 178 . 1 1 20 20 GLU CB C 13 32.70 0.04 . 1 . . . . . . . . 5013 1 179 . 1 1 20 20 GLU HB2 H 1 2.190 0.016 . 2 . . . . . . . . 5013 1 180 . 1 1 20 20 GLU HB3 H 1 1.768 0.008 . 2 . . . . . . . . 5013 1 181 . 1 1 20 20 GLU CG C 13 36.49 0.04 . 1 . . . . . . . . 5013 1 182 . 1 1 20 20 GLU HG2 H 1 2.392 0.000 . 2 . . . . . . . . 5013 1 183 . 1 1 20 20 GLU HG3 H 1 2.295 0.001 . 2 . . . . . . . . 5013 1 184 . 1 1 21 21 TYR N N 15 115.99 0.05 . 1 . . . . . . . . 5013 1 185 . 1 1 21 21 TYR H H 1 8.323 0.003 . 1 . . . . . . . . 5013 1 186 . 1 1 21 21 TYR CA C 13 57.50 0.08 . 1 . . . . . . . . 5013 1 187 . 1 1 21 21 TYR HA H 1 5.564 0.010 . 1 . . . . . . . . 5013 1 188 . 1 1 21 21 TYR C C 13 175.49 0.00 . 1 . . . . . . . . 5013 1 189 . 1 1 21 21 TYR CB C 13 43.19 0.09 . 1 . . . . . . . . 5013 1 190 . 1 1 21 21 TYR HB2 H 1 3.028 0.014 . 2 . . . . . . . . 5013 1 191 . 1 1 21 21 TYR HB3 H 1 2.634 0.012 . 2 . . . . . . . . 5013 1 192 . 1 1 21 21 TYR CD1 C 13 132.76 0.10 . 1 . . . . . . . . 5013 1 193 . 1 1 21 21 TYR HD1 H 1 7.174 0.007 . 1 . . . . . . . . 5013 1 194 . 1 1 21 21 TYR CE1 C 13 118.31 0.13 . 1 . . . . . . . . 5013 1 195 . 1 1 21 21 TYR HE1 H 1 6.749 0.017 . 1 . . . . . . . . 5013 1 196 . 1 1 22 22 ASP N N 15 120.43 0.04 . 1 . . . . . . . . 5013 1 197 . 1 1 22 22 ASP H H 1 8.884 0.005 . 1 . . . . . . . . 5013 1 198 . 1 1 22 22 ASP CA C 13 52.51 0.05 . 1 . . . . . . . . 5013 1 199 . 1 1 22 22 ASP HA H 1 5.459 0.015 . 1 . . . . . . . . 5013 1 200 . 1 1 22 22 ASP C C 13 178.51 0.00 . 1 . . . . . . . . 5013 1 201 . 1 1 22 22 ASP CB C 13 45.88 0.07 . 1 . . . . . . . . 5013 1 202 . 1 1 22 22 ASP HB2 H 1 2.508 0.012 . 1 . . . . . . . . 5013 1 203 . 1 1 23 23 GLY N N 15 109.27 0.02 . 1 . . . . . . . . 5013 1 204 . 1 1 23 23 GLY H H 1 9.151 0.009 . 1 . . . . . . . . 5013 1 205 . 1 1 23 23 GLY CA C 13 46.58 0.07 . 1 . . . . . . . . 5013 1 206 . 1 1 23 23 GLY HA2 H 1 4.052 0.002 . 2 . . . . . . . . 5013 1 207 . 1 1 23 23 GLY HA3 H 1 3.949 0.007 . 2 . . . . . . . . 5013 1 208 . 1 1 23 23 GLY C C 13 173.61 0.00 . 1 . . . . . . . . 5013 1 209 . 1 1 24 24 GLY N N 15 107.41 0.00 . 1 . . . . . . . . 5013 1 210 . 1 1 24 24 GLY H H 1 8.960 0.001 . 1 . . . . . . . . 5013 1 211 . 1 1 24 24 GLY CA C 13 44.10 0.09 . 1 . . . . . . . . 5013 1 212 . 1 1 24 24 GLY HA2 H 1 4.548 0.011 . 2 . . . . . . . . 5013 1 213 . 1 1 24 24 GLY HA3 H 1 3.568 0.017 . 2 . . . . . . . . 5013 1 214 . 1 1 24 24 GLY C C 13 175.92 0.00 . 1 . . . . . . . . 5013 1 215 . 1 1 25 25 TYR N N 15 118.15 0.02 . 1 . . . . . . . . 5013 1 216 . 1 1 25 25 TYR H H 1 6.572 0.007 . 1 . . . . . . . . 5013 1 217 . 1 1 25 25 TYR CA C 13 55.19 0.07 . 1 . . . . . . . . 5013 1 218 . 1 1 25 25 TYR HA H 1 5.149 0.016 . 1 . . . . . . . . 5013 1 219 . 1 1 25 25 TYR C C 13 175.50 0.00 . 1 . . . . . . . . 5013 1 220 . 1 1 25 25 TYR CB C 13 39.57 0.05 . 1 . . . . . . . . 5013 1 221 . 1 1 25 25 TYR HB2 H 1 3.144 0.018 . 1 . . . . . . . . 5013 1 222 . 1 1 25 25 TYR CD1 C 13 131.24 0.11 . 1 . . . . . . . . 5013 1 223 . 1 1 25 25 TYR HD1 H 1 7.200 0.011 . 1 . . . . . . . . 5013 1 224 . 1 1 25 25 TYR CE1 C 13 118.15 0.06 . 1 . . . . . . . . 5013 1 225 . 1 1 25 25 TYR HE1 H 1 6.779 0.007 . 1 . . . . . . . . 5013 1 226 . 1 1 26 26 THR N N 15 109.60 0.03 . 1 . . . . . . . . 5013 1 227 . 1 1 26 26 THR H H 1 8.445 0.003 . 1 . . . . . . . . 5013 1 228 . 1 1 26 26 THR CA C 13 59.59 0.16 . 1 . . . . . . . . 5013 1 229 . 1 1 26 26 THR HA H 1 4.473 0.009 . 1 . . . . . . . . 5013 1 230 . 1 1 26 26 THR C C 13 174.20 0.00 . 1 . . . . . . . . 5013 1 231 . 1 1 26 26 THR CB C 13 72.90 0.05 . 1 . . . . . . . . 5013 1 232 . 1 1 26 26 THR HB H 1 4.511 0.014 . 1 . . . . . . . . 5013 1 233 . 1 1 26 26 THR CG2 C 13 21.28 0.07 . 1 . . . . . . . . 5013 1 234 . 1 1 26 26 THR HG21 H 1 1.227 0.007 . 1 . . . . . . . . 5013 1 235 . 1 1 26 26 THR HG22 H 1 1.227 0.007 . 1 . . . . . . . . 5013 1 236 . 1 1 26 26 THR HG23 H 1 1.227 0.007 . 1 . . . . . . . . 5013 1 237 . 1 1 27 27 ARG N N 15 118.14 0.02 . 1 . . . . . . . . 5013 1 238 . 1 1 27 27 ARG H H 1 8.694 0.003 . 1 . . . . . . . . 5013 1 239 . 1 1 27 27 ARG CA C 13 58.01 0.06 . 1 . . . . . . . . 5013 1 240 . 1 1 27 27 ARG HA H 1 3.553 0.014 . 1 . . . . . . . . 5013 1 241 . 1 1 27 27 ARG C C 13 175.19 0.00 . 1 . . . . . . . . 5013 1 242 . 1 1 27 27 ARG CB C 13 29.90 0.05 . 1 . . . . . . . . 5013 1 243 . 1 1 27 27 ARG HB2 H 1 1.965 0.007 . 2 . . . . . . . . 5013 1 244 . 1 1 27 27 ARG HB3 H 1 1.881 0.008 . 2 . . . . . . . . 5013 1 245 . 1 1 27 27 ARG CG C 13 26.80 0.00 . 1 . . . . . . . . 5013 1 246 . 1 1 27 27 ARG CD C 13 43.50 0.00 . 1 . . . . . . . . 5013 1 247 . 1 1 27 27 ARG HG2 H 1 1.746 0.000 . 1 . . . . . . . . 5013 1 248 . 1 1 27 27 ARG HD2 H 1 3.351 0.001 . 1 . . . . . . . . 5013 1 249 . 1 1 28 28 ASP N N 15 113.24 0.03 . 1 . . . . . . . . 5013 1 250 . 1 1 28 28 ASP H H 1 7.706 0.004 . 1 . . . . . . . . 5013 1 251 . 1 1 28 28 ASP CA C 13 53.51 0.02 . 1 . . . . . . . . 5013 1 252 . 1 1 28 28 ASP HA H 1 4.711 0.004 . 1 . . . . . . . . 5013 1 253 . 1 1 28 28 ASP C C 13 176.55 0.00 . 1 . . . . . . . . 5013 1 254 . 1 1 28 28 ASP CB C 13 41.96 0.02 . 1 . . . . . . . . 5013 1 255 . 1 1 28 28 ASP HB2 H 1 2.791 0.017 . 2 . . . . . . . . 5013 1 256 . 1 1 28 28 ASP HB3 H 1 2.393 0.019 . 2 . . . . . . . . 5013 1 257 . 1 1 29 29 SER N N 15 120.32 0.04 . 1 . . . . . . . . 5013 1 258 . 1 1 29 29 SER H H 1 7.698 0.005 . 1 . . . . . . . . 5013 1 259 . 1 1 29 29 SER CA C 13 60.27 0.07 . 1 . . . . . . . . 5013 1 260 . 1 1 29 29 SER HA H 1 4.361 0.016 . 1 . . . . . . . . 5013 1 261 . 1 1 29 29 SER C C 13 174.88 0.00 . 1 . . . . . . . . 5013 1 262 . 1 1 29 29 SER CB C 13 63.15 0.08 . 1 . . . . . . . . 5013 1 263 . 1 1 29 29 SER HB2 H 1 4.293 0.015 . 2 . . . . . . . . 5013 1 264 . 1 1 29 29 SER HB3 H 1 3.926 0.022 . 2 . . . . . . . . 5013 1 265 . 1 1 30 30 VAL N N 15 128.24 0.02 . 1 . . . . . . . . 5013 1 266 . 1 1 30 30 VAL H H 1 8.892 0.004 . 1 . . . . . . . . 5013 1 267 . 1 1 30 30 VAL CA C 13 67.31 0.04 . 1 . . . . . . . . 5013 1 268 . 1 1 30 30 VAL HA H 1 3.542 0.015 . 1 . . . . . . . . 5013 1 269 . 1 1 30 30 VAL C C 13 177.62 0.00 . 1 . . . . . . . . 5013 1 270 . 1 1 30 30 VAL CB C 13 31.38 0.02 . 1 . . . . . . . . 5013 1 271 . 1 1 30 30 VAL HB H 1 2.072 0.008 . 1 . . . . . . . . 5013 1 272 . 1 1 30 30 VAL CG1 C 13 22.61 0.06 . 2 . . . . . . . . 5013 1 273 . 1 1 30 30 VAL HG11 H 1 1.153 0.015 . 2 . . . . . . . . 5013 1 274 . 1 1 30 30 VAL HG12 H 1 1.153 0.015 . 2 . . . . . . . . 5013 1 275 . 1 1 30 30 VAL HG13 H 1 1.153 0.015 . 2 . . . . . . . . 5013 1 276 . 1 1 30 30 VAL CG2 C 13 20.75 0.03 . 2 . . . . . . . . 5013 1 277 . 1 1 30 30 VAL HG21 H 1 0.973 0.015 . 2 . . . . . . . . 5013 1 278 . 1 1 30 30 VAL HG22 H 1 0.973 0.015 . 2 . . . . . . . . 5013 1 279 . 1 1 30 30 VAL HG23 H 1 0.973 0.015 . 2 . . . . . . . . 5013 1 280 . 1 1 31 31 LEU N N 15 118.14 0.03 . 1 . . . . . . . . 5013 1 281 . 1 1 31 31 LEU H H 1 8.426 0.002 . 1 . . . . . . . . 5013 1 282 . 1 1 31 31 LEU CA C 13 56.67 0.03 . 1 . . . . . . . . 5013 1 283 . 1 1 31 31 LEU HA H 1 4.258 0.012 . 1 . . . . . . . . 5013 1 284 . 1 1 31 31 LEU C C 13 179.02 0.00 . 1 . . . . . . . . 5013 1 285 . 1 1 31 31 LEU CB C 13 42.19 0.03 . 1 . . . . . . . . 5013 1 286 . 1 1 31 31 LEU HB2 H 1 1.861 0.012 . 2 . . . . . . . . 5013 1 287 . 1 1 31 31 LEU HB3 H 1 1.419 0.011 . 2 . . . . . . . . 5013 1 288 . 1 1 31 31 LEU CG C 13 27.38 0.04 . 1 . . . . . . . . 5013 1 289 . 1 1 31 31 LEU HG H 1 2.015 0.004 . 1 . . . . . . . . 5013 1 290 . 1 1 31 31 LEU CD1 C 13 26.37 0.02 . 2 . . . . . . . . 5013 1 291 . 1 1 31 31 LEU HD11 H 1 1.171 0.005 . 2 . . . . . . . . 5013 1 292 . 1 1 31 31 LEU HD12 H 1 1.171 0.005 . 2 . . . . . . . . 5013 1 293 . 1 1 31 31 LEU HD13 H 1 1.171 0.005 . 2 . . . . . . . . 5013 1 294 . 1 1 31 31 LEU CD2 C 13 24.95 0.07 . 2 . . . . . . . . 5013 1 295 . 1 1 31 31 LEU HD21 H 1 1.069 0.014 . 2 . . . . . . . . 5013 1 296 . 1 1 31 31 LEU HD22 H 1 1.069 0.014 . 2 . . . . . . . . 5013 1 297 . 1 1 31 31 LEU HD23 H 1 1.069 0.014 . 2 . . . . . . . . 5013 1 298 . 1 1 32 32 ILE N N 15 115.66 0.05 . 1 . . . . . . . . 5013 1 299 . 1 1 32 32 ILE H H 1 6.355 0.011 . 1 . . . . . . . . 5013 1 300 . 1 1 32 32 ILE CA C 13 59.54 0.07 . 1 . . . . . . . . 5013 1 301 . 1 1 32 32 ILE HA H 1 3.697 0.015 . 1 . . . . . . . . 5013 1 302 . 1 1 32 32 ILE C C 13 177.78 0.00 . 1 . . . . . . . . 5013 1 303 . 1 1 32 32 ILE CB C 13 34.69 0.05 . 1 . . . . . . . . 5013 1 304 . 1 1 32 32 ILE HB H 1 2.254 0.015 . 1 . . . . . . . . 5013 1 305 . 1 1 32 32 ILE CG2 C 13 19.22 0.07 . 1 . . . . . . . . 5013 1 306 . 1 1 32 32 ILE HG21 H 1 1.009 0.012 . 1 . . . . . . . . 5013 1 307 . 1 1 32 32 ILE HG22 H 1 1.009 0.012 . 1 . . . . . . . . 5013 1 308 . 1 1 32 32 ILE HG23 H 1 1.009 0.012 . 1 . . . . . . . . 5013 1 309 . 1 1 32 32 ILE CD1 C 13 7.13 0.05 . 1 . . . . . . . . 5013 1 310 . 1 1 32 32 ILE HD11 H 1 0.042 0.009 . 1 . . . . . . . . 5013 1 311 . 1 1 32 32 ILE HD12 H 1 0.042 0.009 . 1 . . . . . . . . 5013 1 312 . 1 1 32 32 ILE HD13 H 1 0.042 0.009 . 1 . . . . . . . . 5013 1 313 . 1 1 32 32 ILE HG12 H 1 2.307 0.000 . 1 . . . . . . . . 5013 1 314 . 1 1 33 33 ARG N N 15 120.27 0.04 . 1 . . . . . . . . 5013 1 315 . 1 1 33 33 ARG H H 1 8.185 0.004 . 1 . . . . . . . . 5013 1 316 . 1 1 33 33 ARG CA C 13 59.40 0.00 . 1 . . . . . . . . 5013 1 317 . 1 1 33 33 ARG HA H 1 4.289 0.000 . 1 . . . . . . . . 5013 1 318 . 1 1 33 33 ARG C C 13 180.98 0.00 . 1 . . . . . . . . 5013 1 319 . 1 1 33 33 ARG CB C 13 29.80 0.07 . 1 . . . . . . . . 5013 1 320 . 1 1 33 33 ARG HB2 H 1 2.182 0.002 . 2 . . . . . . . . 5013 1 321 . 1 1 33 33 ARG HB3 H 1 2.054 0.010 . 2 . . . . . . . . 5013 1 322 . 1 1 33 33 ARG CG C 13 26.66 0.03 . 1 . . . . . . . . 5013 1 323 . 1 1 33 33 ARG HG2 H 1 1.892 0.011 . 2 . . . . . . . . 5013 1 324 . 1 1 33 33 ARG HG3 H 1 1.747 0.002 . 2 . . . . . . . . 5013 1 325 . 1 1 33 33 ARG CD C 13 43.77 0.04 . 1 . . . . . . . . 5013 1 326 . 1 1 33 33 ARG HD2 H 1 3.360 0.002 . 1 . . . . . . . . 5013 1 327 . 1 1 34 34 GLU N N 15 119.55 0.04 . 1 . . . . . . . . 5013 1 328 . 1 1 34 34 GLU H H 1 8.331 0.005 . 1 . . . . . . . . 5013 1 329 . 1 1 34 34 GLU CA C 13 59.39 0.01 . 1 . . . . . . . . 5013 1 330 . 1 1 34 34 GLU HA H 1 4.032 0.004 . 1 . . . . . . . . 5013 1 331 . 1 1 34 34 GLU C C 13 177.96 0.00 . 1 . . . . . . . . 5013 1 332 . 1 1 34 34 GLU CB C 13 28.82 0.05 . 1 . . . . . . . . 5013 1 333 . 1 1 34 34 GLU HB2 H 1 2.440 0.019 . 2 . . . . . . . . 5013 1 334 . 1 1 34 34 GLU HB3 H 1 1.679 0.007 . 2 . . . . . . . . 5013 1 335 . 1 1 34 34 GLU CG C 13 36.89 0.09 . 1 . . . . . . . . 5013 1 336 . 1 1 34 34 GLU HG2 H 1 2.683 0.007 . 2 . . . . . . . . 5013 1 337 . 1 1 34 34 GLU HG3 H 1 2.186 0.016 . 2 . . . . . . . . 5013 1 338 . 1 1 35 35 PHE N N 15 120.96 0.05 . 1 . . . . . . . . 5013 1 339 . 1 1 35 35 PHE H H 1 8.722 0.005 . 1 . . . . . . . . 5013 1 340 . 1 1 35 35 PHE CA C 13 62.12 0.07 . 1 . . . . . . . . 5013 1 341 . 1 1 35 35 PHE HA H 1 3.708 0.010 . 1 . . . . . . . . 5013 1 342 . 1 1 35 35 PHE C C 13 176.12 0.00 . 1 . . . . . . . . 5013 1 343 . 1 1 35 35 PHE CB C 13 38.05 0.05 . 1 . . . . . . . . 5013 1 344 . 1 1 35 35 PHE HB2 H 1 3.427 0.015 . 2 . . . . . . . . 5013 1 345 . 1 1 35 35 PHE HB3 H 1 2.828 0.016 . 2 . . . . . . . . 5013 1 346 . 1 1 35 35 PHE CD1 C 13 130.62 0.20 . 1 . . . . . . . . 5013 1 347 . 1 1 35 35 PHE HD1 H 1 5.987 0.007 . 1 . . . . . . . . 5013 1 348 . 1 1 35 35 PHE CE1 C 13 130.61 0.00 . 1 . . . . . . . . 5013 1 349 . 1 1 35 35 PHE HE1 H 1 5.882 0.001 . 1 . . . . . . . . 5013 1 350 . 1 1 36 36 TRP N N 15 119.28 0.04 . 1 . . . . . . . . 5013 1 351 . 1 1 36 36 TRP H H 1 8.270 0.006 . 1 . . . . . . . . 5013 1 352 . 1 1 36 36 TRP CA C 13 60.18 0.04 . 1 . . . . . . . . 5013 1 353 . 1 1 36 36 TRP HA H 1 4.098 0.018 . 1 . . . . . . . . 5013 1 354 . 1 1 36 36 TRP C C 13 177.33 0.00 . 1 . . . . . . . . 5013 1 355 . 1 1 36 36 TRP CB C 13 28.62 0.12 . 1 . . . . . . . . 5013 1 356 . 1 1 36 36 TRP HB2 H 1 3.360 0.013 . 2 . . . . . . . . 5013 1 357 . 1 1 36 36 TRP HB3 H 1 3.116 0.012 . 2 . . . . . . . . 5013 1 358 . 1 1 36 36 TRP CD1 C 13 129.01 0.10 . 1 . . . . . . . . 5013 1 359 . 1 1 36 36 TRP HD1 H 1 7.384 0.011 . 1 . . . . . . . . 5013 1 360 . 1 1 36 36 TRP NE1 N 15 125.72 0.02 . 1 . . . . . . . . 5013 1 361 . 1 1 36 36 TRP HE1 H 1 10.004 0.009 . 1 . . . . . . . . 5013 1 362 . 1 1 36 36 TRP CE3 C 13 121.33 0.10 . 1 . . . . . . . . 5013 1 363 . 1 1 36 36 TRP HE3 H 1 6.855 0.006 . 1 . . . . . . . . 5013 1 364 . 1 1 36 36 TRP CZ2 C 13 115.06 0.11 . 1 . . . . . . . . 5013 1 365 . 1 1 36 36 TRP HZ2 H 1 7.669 0.010 . 1 . . . . . . . . 5013 1 366 . 1 1 36 36 TRP CZ3 C 13 120.50 0.21 . 1 . . . . . . . . 5013 1 367 . 1 1 36 36 TRP HZ3 H 1 6.735 0.007 . 1 . . . . . . . . 5013 1 368 . 1 1 36 36 TRP CH2 C 13 123.26 0.12 . 1 . . . . . . . . 5013 1 369 . 1 1 36 36 TRP HH2 H 1 6.978 0.005 . 1 . . . . . . . . 5013 1 370 . 1 1 37 37 GLU N N 15 118.31 0.03 . 1 . . . . . . . . 5013 1 371 . 1 1 37 37 GLU H H 1 7.722 0.004 . 1 . . . . . . . . 5013 1 372 . 1 1 37 37 GLU CA C 13 59.76 0.24 . 1 . . . . . . . . 5013 1 373 . 1 1 37 37 GLU HA H 1 4.048 0.007 . 1 . . . . . . . . 5013 1 374 . 1 1 37 37 GLU C C 13 180.32 0.00 . 1 . . . . . . . . 5013 1 375 . 1 1 37 37 GLU CB C 13 29.28 0.03 . 1 . . . . . . . . 5013 1 376 . 1 1 37 37 GLU HB2 H 1 2.302 0.007 . 2 . . . . . . . . 5013 1 377 . 1 1 37 37 GLU HB3 H 1 2.088 0.001 . 2 . . . . . . . . 5013 1 378 . 1 1 37 37 GLU HG2 H 1 2.597 0.000 . 2 . . . . . . . . 5013 1 379 . 1 1 38 38 ILE N N 15 118.85 0.06 . 1 . . . . . . . . 5013 1 380 . 1 1 38 38 ILE H H 1 7.804 0.005 . 1 . . . . . . . . 5013 1 381 . 1 1 38 38 ILE CA C 13 64.05 0.05 . 1 . . . . . . . . 5013 1 382 . 1 1 38 38 ILE HA H 1 3.432 0.014 . 1 . . . . . . . . 5013 1 383 . 1 1 38 38 ILE C C 13 178.54 0.00 . 1 . . . . . . . . 5013 1 384 . 1 1 38 38 ILE CB C 13 37.76 0.09 . 1 . . . . . . . . 5013 1 385 . 1 1 38 38 ILE HB H 1 1.709 0.013 . 1 . . . . . . . . 5013 1 386 . 1 1 38 38 ILE CG1 C 13 28.74 0.02 . 1 . . . . . . . . 5013 1 387 . 1 1 38 38 ILE HG12 H 1 1.656 0.009 . 2 . . . . . . . . 5013 1 388 . 1 1 38 38 ILE HG13 H 1 0.893 0.025 . 2 . . . . . . . . 5013 1 389 . 1 1 38 38 ILE CG2 C 13 17.97 0.06 . 1 . . . . . . . . 5013 1 390 . 1 1 38 38 ILE HG21 H 1 0.423 0.013 . 1 . . . . . . . . 5013 1 391 . 1 1 38 38 ILE HG22 H 1 0.423 0.013 . 1 . . . . . . . . 5013 1 392 . 1 1 38 38 ILE HG23 H 1 0.423 0.013 . 1 . . . . . . . . 5013 1 393 . 1 1 38 38 ILE CD1 C 13 14.63 0.02 . 1 . . . . . . . . 5013 1 394 . 1 1 38 38 ILE HD11 H 1 0.809 0.008 . 1 . . . . . . . . 5013 1 395 . 1 1 38 38 ILE HD12 H 1 0.809 0.008 . 1 . . . . . . . . 5013 1 396 . 1 1 38 38 ILE HD13 H 1 0.809 0.008 . 1 . . . . . . . . 5013 1 397 . 1 1 39 39 VAL N N 15 119.08 0.03 . 1 . . . . . . . . 5013 1 398 . 1 1 39 39 VAL H H 1 7.926 0.004 . 1 . . . . . . . . 5013 1 399 . 1 1 39 39 VAL CA C 13 65.01 0.05 . 1 . . . . . . . . 5013 1 400 . 1 1 39 39 VAL HA H 1 1.894 0.014 . 1 . . . . . . . . 5013 1 401 . 1 1 39 39 VAL C C 13 178.79 0.00 . 1 . . . . . . . . 5013 1 402 . 1 1 39 39 VAL CB C 13 30.46 0.05 . 1 . . . . . . . . 5013 1 403 . 1 1 39 39 VAL HB H 1 1.046 0.011 . 1 . . . . . . . . 5013 1 404 . 1 1 39 39 VAL CG1 C 13 21.16 0.06 . 2 . . . . . . . . 5013 1 405 . 1 1 39 39 VAL HG11 H 1 0.067 0.012 . 2 . . . . . . . . 5013 1 406 . 1 1 39 39 VAL HG12 H 1 0.067 0.012 . 2 . . . . . . . . 5013 1 407 . 1 1 39 39 VAL HG13 H 1 0.067 0.012 . 2 . . . . . . . . 5013 1 408 . 1 1 39 39 VAL CG2 C 13 21.42 0.09 . 2 . . . . . . . . 5013 1 409 . 1 1 39 39 VAL HG21 H 1 0.468 0.008 . 2 . . . . . . . . 5013 1 410 . 1 1 39 39 VAL HG22 H 1 0.468 0.008 . 2 . . . . . . . . 5013 1 411 . 1 1 39 39 VAL HG23 H 1 0.468 0.008 . 2 . . . . . . . . 5013 1 412 . 1 1 40 40 HIS N N 15 116.39 0.04 . 1 . . . . . . . . 5013 1 413 . 1 1 40 40 HIS H H 1 8.457 0.004 . 1 . . . . . . . . 5013 1 414 . 1 1 40 40 HIS CA C 13 59.46 0.09 . 1 . . . . . . . . 5013 1 415 . 1 1 40 40 HIS HA H 1 4.639 0.009 . 1 . . . . . . . . 5013 1 416 . 1 1 40 40 HIS C C 13 178.15 0.00 . 1 . . . . . . . . 5013 1 417 . 1 1 40 40 HIS CB C 13 30.41 0.06 . 1 . . . . . . . . 5013 1 418 . 1 1 40 40 HIS HB2 H 1 3.175 0.003 . 2 . . . . . . . . 5013 1 419 . 1 1 40 40 HIS HB3 H 1 3.102 0.014 . 2 . . . . . . . . 5013 1 420 . 1 1 40 40 HIS CD2 C 13 119.93 0.12 . 1 . . . . . . . . 5013 1 421 . 1 1 40 40 HIS HD2 H 1 7.232 0.008 . 1 . . . . . . . . 5013 1 422 . 1 1 40 40 HIS CE1 C 13 136.49 0.11 . 1 . . . . . . . . 5013 1 423 . 1 1 40 40 HIS HE1 H 1 7.308 0.007 . 1 . . . . . . . . 5013 1 424 . 1 1 41 41 SER N N 15 113.52 0.04 . 1 . . . . . . . . 5013 1 425 . 1 1 41 41 SER H H 1 7.376 0.003 . 1 . . . . . . . . 5013 1 426 . 1 1 41 41 SER CA C 13 58.83 0.11 . 1 . . . . . . . . 5013 1 427 . 1 1 41 41 SER HA H 1 4.612 0.011 . 1 . . . . . . . . 5013 1 428 . 1 1 41 41 SER C C 13 174.34 0.00 . 1 . . . . . . . . 5013 1 429 . 1 1 41 41 SER CB C 13 64.27 0.03 . 1 . . . . . . . . 5013 1 430 . 1 1 41 41 SER HB2 H 1 4.126 0.007 . 2 . . . . . . . . 5013 1 431 . 1 1 41 41 SER HB3 H 1 4.040 0.007 . 2 . . . . . . . . 5013 1 432 . 1 1 42 42 PHE N N 15 123.36 0.04 . 1 . . . . . . . . 5013 1 433 . 1 1 42 42 PHE H H 1 7.415 0.007 . 1 . . . . . . . . 5013 1 434 . 1 1 42 42 PHE CA C 13 53.43 0.05 . 1 . . . . . . . . 5013 1 435 . 1 1 42 42 PHE HA H 1 5.000 0.012 . 1 . . . . . . . . 5013 1 436 . 1 1 42 42 PHE C C 13 177.85 0.00 . 1 . . . . . . . . 5013 1 437 . 1 1 42 42 PHE CB C 13 38.92 0.04 . 1 . . . . . . . . 5013 1 438 . 1 1 42 42 PHE HB2 H 1 3.549 0.017 . 2 . . . . . . . . 5013 1 439 . 1 1 42 42 PHE HB3 H 1 3.478 0.017 . 2 . . . . . . . . 5013 1 440 . 1 1 42 42 PHE CZ C 13 126.93 0.02 . 1 . . . . . . . . 5013 1 441 . 1 1 42 42 PHE HZ H 1 6.654 0.003 . 1 . . . . . . . . 5013 1 442 . 1 1 42 42 PHE CD1 C 13 129.46 0.09 . 1 . . . . . . . . 5013 1 443 . 1 1 42 42 PHE HD1 H 1 6.824 0.003 . 1 . . . . . . . . 5013 1 444 . 1 1 42 42 PHE CE1 C 13 130.40 0.05 . 1 . . . . . . . . 5013 1 445 . 1 1 42 42 PHE HE1 H 1 6.803 0.004 . 1 . . . . . . . . 5013 1 446 . 1 1 43 43 THR N N 15 111.40 0.04 . 1 . . . . . . . . 5013 1 447 . 1 1 43 43 THR H H 1 8.577 0.004 . 1 . . . . . . . . 5013 1 448 . 1 1 43 43 THR CA C 13 60.77 0.08 . 1 . . . . . . . . 5013 1 449 . 1 1 43 43 THR HA H 1 4.439 0.016 . 1 . . . . . . . . 5013 1 450 . 1 1 43 43 THR C C 13 175.35 0.00 . 1 . . . . . . . . 5013 1 451 . 1 1 43 43 THR CB C 13 70.81 0.06 . 1 . . . . . . . . 5013 1 452 . 1 1 43 43 THR HB H 1 4.805 0.017 . 1 . . . . . . . . 5013 1 453 . 1 1 43 43 THR CG2 C 13 21.69 0.10 . 1 . . . . . . . . 5013 1 454 . 1 1 43 43 THR HG21 H 1 1.380 0.013 . 1 . . . . . . . . 5013 1 455 . 1 1 43 43 THR HG22 H 1 1.380 0.013 . 1 . . . . . . . . 5013 1 456 . 1 1 43 43 THR HG23 H 1 1.380 0.013 . 1 . . . . . . . . 5013 1 457 . 1 1 44 44 ASP N N 15 121.88 0.03 . 1 . . . . . . . . 5013 1 458 . 1 1 44 44 ASP H H 1 9.127 0.007 . 1 . . . . . . . . 5013 1 459 . 1 1 44 44 ASP CA C 13 58.46 0.04 . 1 . . . . . . . . 5013 1 460 . 1 1 44 44 ASP HA H 1 4.345 0.013 . 1 . . . . . . . . 5013 1 461 . 1 1 44 44 ASP C C 13 178.25 0.00 . 1 . . . . . . . . 5013 1 462 . 1 1 44 44 ASP CB C 13 40.03 0.06 . 1 . . . . . . . . 5013 1 463 . 1 1 44 44 ASP HB2 H 1 2.736 0.013 . 1 . . . . . . . . 5013 1 464 . 1 1 45 45 GLU N N 15 118.58 0.03 . 1 . . . . . . . . 5013 1 465 . 1 1 45 45 GLU H H 1 8.470 0.004 . 1 . . . . . . . . 5013 1 466 . 1 1 45 45 GLU CA C 13 59.61 0.25 . 1 . . . . . . . . 5013 1 467 . 1 1 45 45 GLU HA H 1 4.039 0.000 . 1 . . . . . . . . 5013 1 468 . 1 1 45 45 GLU C C 13 178.91 0.00 . 1 . . . . . . . . 5013 1 469 . 1 1 45 45 GLU CB C 13 29.53 0.00 . 1 . . . . . . . . 5013 1 470 . 1 1 46 46 GLN N N 15 118.78 0.03 . 1 . . . . . . . . 5013 1 471 . 1 1 46 46 GLN H H 1 7.565 0.005 . 1 . . . . . . . . 5013 1 472 . 1 1 46 46 GLN CA C 13 58.68 0.04 . 1 . . . . . . . . 5013 1 473 . 1 1 46 46 GLN HA H 1 3.625 0.014 . 1 . . . . . . . . 5013 1 474 . 1 1 46 46 GLN C C 13 178.19 0.00 . 1 . . . . . . . . 5013 1 475 . 1 1 46 46 GLN CB C 13 26.10 0.03 . 1 . . . . . . . . 5013 1 476 . 1 1 46 46 GLN HB2 H 1 2.175 0.009 . 2 . . . . . . . . 5013 1 477 . 1 1 46 46 GLN HB3 H 1 0.726 0.011 . 2 . . . . . . . . 5013 1 478 . 1 1 46 46 GLN CG C 13 34.09 0.06 . 1 . . . . . . . . 5013 1 479 . 1 1 46 46 GLN HG2 H 1 2.278 0.019 . 2 . . . . . . . . 5013 1 480 . 1 1 46 46 GLN HG3 H 1 1.867 0.016 . 2 . . . . . . . . 5013 1 481 . 1 1 46 46 GLN NE2 N 15 109.69 0.05 . 1 . . . . . . . . 5013 1 482 . 1 1 46 46 GLN HE21 H 1 7.236 0.006 . 2 . . . . . . . . 5013 1 483 . 1 1 46 46 GLN HE22 H 1 6.615 0.007 . 2 . . . . . . . . 5013 1 484 . 1 1 47 47 LYS N N 15 119.69 0.05 . 1 . . . . . . . . 5013 1 485 . 1 1 47 47 LYS H H 1 8.863 0.006 . 1 . . . . . . . . 5013 1 486 . 1 1 47 47 LYS CA C 13 61.57 0.08 . 1 . . . . . . . . 5013 1 487 . 1 1 47 47 LYS HA H 1 3.931 0.011 . 1 . . . . . . . . 5013 1 488 . 1 1 47 47 LYS C C 13 178.91 0.00 . 1 . . . . . . . . 5013 1 489 . 1 1 47 47 LYS CB C 13 33.10 0.04 . 1 . . . . . . . . 5013 1 490 . 1 1 47 47 LYS CG C 13 28.56 0.07 . 1 . . . . . . . . 5013 1 491 . 1 1 47 47 LYS HG2 H 1 1.689 0.000 . 2 . . . . . . . . 5013 1 492 . 1 1 47 47 LYS HG3 H 1 0.451 0.017 . 2 . . . . . . . . 5013 1 493 . 1 1 47 47 LYS CD C 13 29.97 0.05 . 1 . . . . . . . . 5013 1 494 . 1 1 47 47 LYS HD2 H 1 1.418 0.006 . 2 . . . . . . . . 5013 1 495 . 1 1 47 47 LYS HD3 H 1 0.939 0.011 . 2 . . . . . . . . 5013 1 496 . 1 1 47 47 LYS CE C 13 42.09 0.10 . 1 . . . . . . . . 5013 1 497 . 1 1 47 47 LYS HE2 H 1 2.903 0.001 . 2 . . . . . . . . 5013 1 498 . 1 1 47 47 LYS HE3 H 1 2.672 0.004 . 2 . . . . . . . . 5013 1 499 . 1 1 48 48 ARG N N 15 119.26 0.05 . 1 . . . . . . . . 5013 1 500 . 1 1 48 48 ARG H H 1 8.076 0.008 . 1 . . . . . . . . 5013 1 501 . 1 1 48 48 ARG CA C 13 60.83 0.06 . 1 . . . . . . . . 5013 1 502 . 1 1 48 48 ARG HA H 1 4.076 0.012 . 1 . . . . . . . . 5013 1 503 . 1 1 48 48 ARG C C 13 179.04 0.00 . 1 . . . . . . . . 5013 1 504 . 1 1 48 48 ARG CB C 13 30.21 0.03 . 1 . . . . . . . . 5013 1 505 . 1 1 48 48 ARG CD C 13 43.47 0.00 . 1 . . . . . . . . 5013 1 506 . 1 1 48 48 ARG HB2 H 1 2.132 0.000 . 1 . . . . . . . . 5013 1 507 . 1 1 48 48 ARG HG2 H 1 1.745 0.000 . 1 . . . . . . . . 5013 1 508 . 1 1 48 48 ARG HD2 H 1 3.342 0.002 . 1 . . . . . . . . 5013 1 509 . 1 1 49 49 LEU N N 15 119.57 0.03 . 1 . . . . . . . . 5013 1 510 . 1 1 49 49 LEU H H 1 8.212 0.004 . 1 . . . . . . . . 5013 1 511 . 1 1 49 49 LEU CA C 13 57.75 0.05 . 1 . . . . . . . . 5013 1 512 . 1 1 49 49 LEU HA H 1 4.175 0.014 . 1 . . . . . . . . 5013 1 513 . 1 1 49 49 LEU C C 13 180.47 0.00 . 1 . . . . . . . . 5013 1 514 . 1 1 49 49 LEU CB C 13 41.20 0.03 . 1 . . . . . . . . 5013 1 515 . 1 1 49 49 LEU HB2 H 1 1.904 0.001 . 2 . . . . . . . . 5013 1 516 . 1 1 49 49 LEU HB3 H 1 1.467 0.015 . 2 . . . . . . . . 5013 1 517 . 1 1 49 49 LEU CD1 C 13 22.14 0.04 . 2 . . . . . . . . 5013 1 518 . 1 1 49 49 LEU HD11 H 1 0.945 0.016 . 2 . . . . . . . . 5013 1 519 . 1 1 49 49 LEU HD12 H 1 0.945 0.016 . 2 . . . . . . . . 5013 1 520 . 1 1 49 49 LEU HD13 H 1 0.945 0.016 . 2 . . . . . . . . 5013 1 521 . 1 1 49 49 LEU CD2 C 13 25.73 0.07 . 2 . . . . . . . . 5013 1 522 . 1 1 49 49 LEU HD21 H 1 0.805 0.010 . 2 . . . . . . . . 5013 1 523 . 1 1 49 49 LEU HD22 H 1 0.805 0.010 . 2 . . . . . . . . 5013 1 524 . 1 1 49 49 LEU HD23 H 1 0.805 0.010 . 2 . . . . . . . . 5013 1 525 . 1 1 50 50 PHE N N 15 122.43 0.05 . 1 . . . . . . . . 5013 1 526 . 1 1 50 50 PHE H H 1 9.048 0.005 . 1 . . . . . . . . 5013 1 527 . 1 1 50 50 PHE CA C 13 62.38 0.05 . 1 . . . . . . . . 5013 1 528 . 1 1 50 50 PHE HA H 1 4.262 0.012 . 1 . . . . . . . . 5013 1 529 . 1 1 50 50 PHE C C 13 177.84 0.00 . 1 . . . . . . . . 5013 1 530 . 1 1 50 50 PHE CB C 13 39.05 0.10 . 1 . . . . . . . . 5013 1 531 . 1 1 50 50 PHE HB2 H 1 3.806 0.014 . 2 . . . . . . . . 5013 1 532 . 1 1 50 50 PHE HB3 H 1 3.393 0.014 . 2 . . . . . . . . 5013 1 533 . 1 1 50 50 PHE CD1 C 13 131.00 0.12 . 1 . . . . . . . . 5013 1 534 . 1 1 50 50 PHE HD1 H 1 7.324 0.012 . 1 . . . . . . . . 5013 1 535 . 1 1 50 50 PHE CE1 C 13 128.52 0.02 . 1 . . . . . . . . 5013 1 536 . 1 1 50 50 PHE HE1 H 1 6.606 0.007 . 1 . . . . . . . . 5013 1 537 . 1 1 51 51 LEU N N 15 122.91 0.03 . 1 . . . . . . . . 5013 1 538 . 1 1 51 51 LEU H H 1 8.704 0.005 . 1 . . . . . . . . 5013 1 539 . 1 1 51 51 LEU CA C 13 58.13 0.06 . 1 . . . . . . . . 5013 1 540 . 1 1 51 51 LEU HA H 1 4.032 0.017 . 1 . . . . . . . . 5013 1 541 . 1 1 51 51 LEU C C 13 180.43 0.00 . 1 . . . . . . . . 5013 1 542 . 1 1 51 51 LEU CB C 13 41.42 0.03 . 1 . . . . . . . . 5013 1 543 . 1 1 51 51 LEU HB2 H 1 2.133 0.013 . 2 . . . . . . . . 5013 1 544 . 1 1 51 51 LEU HB3 H 1 1.970 0.014 . 2 . . . . . . . . 5013 1 545 . 1 1 51 51 LEU CG C 13 26.90 0.04 . 1 . . . . . . . . 5013 1 546 . 1 1 51 51 LEU HG H 1 2.295 0.009 . 1 . . . . . . . . 5013 1 547 . 1 1 51 51 LEU CD1 C 13 26.03 0.03 . 2 . . . . . . . . 5013 1 548 . 1 1 51 51 LEU HD11 H 1 1.033 0.017 . 2 . . . . . . . . 5013 1 549 . 1 1 51 51 LEU HD12 H 1 1.033 0.017 . 2 . . . . . . . . 5013 1 550 . 1 1 51 51 LEU HD13 H 1 1.033 0.017 . 2 . . . . . . . . 5013 1 551 . 1 1 51 51 LEU CD2 C 13 22.92 0.06 . 2 . . . . . . . . 5013 1 552 . 1 1 51 51 LEU HD21 H 1 0.883 0.008 . 2 . . . . . . . . 5013 1 553 . 1 1 51 51 LEU HD22 H 1 0.883 0.008 . 2 . . . . . . . . 5013 1 554 . 1 1 51 51 LEU HD23 H 1 0.883 0.008 . 2 . . . . . . . . 5013 1 555 . 1 1 52 52 GLN N N 15 123.42 0.02 . 1 . . . . . . . . 5013 1 556 . 1 1 52 52 GLN H H 1 8.707 0.003 . 1 . . . . . . . . 5013 1 557 . 1 1 52 52 GLN CA C 13 59.54 0.01 . 1 . . . . . . . . 5013 1 558 . 1 1 52 52 GLN HA H 1 3.708 0.002 . 1 . . . . . . . . 5013 1 559 . 1 1 52 52 GLN C C 13 178.52 0.00 . 1 . . . . . . . . 5013 1 560 . 1 1 52 52 GLN CB C 13 28.60 0.06 . 1 . . . . . . . . 5013 1 561 . 1 1 52 52 GLN CG C 13 34.10 0.06 . 1 . . . . . . . . 5013 1 562 . 1 1 52 52 GLN HG2 H 1 2.310 0.002 . 2 . . . . . . . . 5013 1 563 . 1 1 52 52 GLN HG3 H 1 2.228 0.012 . 2 . . . . . . . . 5013 1 564 . 1 1 52 52 GLN NE2 N 15 110.40 0.04 . 1 . . . . . . . . 5013 1 565 . 1 1 52 52 GLN HE21 H 1 7.430 0.005 . 2 . . . . . . . . 5013 1 566 . 1 1 52 52 GLN HE22 H 1 6.612 0.010 . 2 . . . . . . . . 5013 1 567 . 1 1 52 52 GLN HB2 H 1 2.135 0.018 . 1 . . . . . . . . 5013 1 568 . 1 1 53 53 PHE N N 15 120.28 0.04 . 1 . . . . . . . . 5013 1 569 . 1 1 53 53 PHE H H 1 8.431 0.006 . 1 . . . . . . . . 5013 1 570 . 1 1 53 53 PHE CA C 13 60.76 0.12 . 1 . . . . . . . . 5013 1 571 . 1 1 53 53 PHE HA H 1 4.249 0.014 . 1 . . . . . . . . 5013 1 572 . 1 1 53 53 PHE C C 13 176.13 0.00 . 1 . . . . . . . . 5013 1 573 . 1 1 53 53 PHE CB C 13 40.34 0.10 . 1 . . . . . . . . 5013 1 574 . 1 1 53 53 PHE HB2 H 1 3.453 0.016 . 2 . . . . . . . . 5013 1 575 . 1 1 53 53 PHE HB3 H 1 3.076 0.015 . 2 . . . . . . . . 5013 1 576 . 1 1 53 53 PHE CD1 C 13 131.89 0.11 . 1 . . . . . . . . 5013 1 577 . 1 1 53 53 PHE HD1 H 1 7.103 0.009 . 1 . . . . . . . . 5013 1 578 . 1 1 54 54 THR N N 15 109.75 0.04 . 1 . . . . . . . . 5013 1 579 . 1 1 54 54 THR H H 1 7.803 0.006 . 1 . . . . . . . . 5013 1 580 . 1 1 54 54 THR CA C 13 65.10 0.04 . 1 . . . . . . . . 5013 1 581 . 1 1 54 54 THR HA H 1 3.710 0.019 . 1 . . . . . . . . 5013 1 582 . 1 1 54 54 THR C C 13 174.62 0.00 . 1 . . . . . . . . 5013 1 583 . 1 1 54 54 THR CB C 13 69.76 0.09 . 1 . . . . . . . . 5013 1 584 . 1 1 54 54 THR HB H 1 3.673 0.018 . 1 . . . . . . . . 5013 1 585 . 1 1 54 54 THR CG2 C 13 23.13 0.02 . 1 . . . . . . . . 5013 1 586 . 1 1 54 54 THR HG21 H 1 0.926 0.007 . 1 . . . . . . . . 5013 1 587 . 1 1 54 54 THR HG22 H 1 0.926 0.007 . 1 . . . . . . . . 5013 1 588 . 1 1 54 54 THR HG23 H 1 0.926 0.007 . 1 . . . . . . . . 5013 1 589 . 1 1 55 55 THR N N 15 106.76 0.03 . 1 . . . . . . . . 5013 1 590 . 1 1 55 55 THR H H 1 8.161 0.006 . 1 . . . . . . . . 5013 1 591 . 1 1 55 55 THR CA C 13 61.25 0.04 . 1 . . . . . . . . 5013 1 592 . 1 1 55 55 THR HA H 1 5.136 0.013 . 1 . . . . . . . . 5013 1 593 . 1 1 55 55 THR C C 13 176.59 0.00 . 1 . . . . . . . . 5013 1 594 . 1 1 55 55 THR CB C 13 72.14 0.05 . 1 . . . . . . . . 5013 1 595 . 1 1 55 55 THR HB H 1 4.337 0.012 . 1 . . . . . . . . 5013 1 596 . 1 1 55 55 THR CG2 C 13 20.99 0.09 . 1 . . . . . . . . 5013 1 597 . 1 1 55 55 THR HG21 H 1 1.137 0.013 . 1 . . . . . . . . 5013 1 598 . 1 1 55 55 THR HG22 H 1 1.137 0.013 . 1 . . . . . . . . 5013 1 599 . 1 1 55 55 THR HG23 H 1 1.137 0.013 . 1 . . . . . . . . 5013 1 600 . 1 1 56 56 GLY N N 15 110.80 0.05 . 1 . . . . . . . . 5013 1 601 . 1 1 56 56 GLY H H 1 7.834 0.005 . 1 . . . . . . . . 5013 1 602 . 1 1 56 56 GLY CA C 13 45.29 0.07 . 1 . . . . . . . . 5013 1 603 . 1 1 56 56 GLY HA2 H 1 4.388 0.016 . 2 . . . . . . . . 5013 1 604 . 1 1 56 56 GLY HA3 H 1 3.857 0.015 . 2 . . . . . . . . 5013 1 605 . 1 1 56 56 GLY C C 13 173.03 0.00 . 1 . . . . . . . . 5013 1 606 . 1 1 57 57 THR N N 15 114.67 0.04 . 1 . . . . . . . . 5013 1 607 . 1 1 57 57 THR H H 1 7.797 0.007 . 1 . . . . . . . . 5013 1 608 . 1 1 57 57 THR CA C 13 59.70 0.13 . 1 . . . . . . . . 5013 1 609 . 1 1 57 57 THR HA H 1 4.793 0.015 . 1 . . . . . . . . 5013 1 610 . 1 1 57 57 THR C C 13 170.38 0.00 . 1 . . . . . . . . 5013 1 611 . 1 1 57 57 THR CB C 13 69.77 0.10 . 1 . . . . . . . . 5013 1 612 . 1 1 57 57 THR HB H 1 4.166 0.014 . 1 . . . . . . . . 5013 1 613 . 1 1 57 57 THR CG2 C 13 19.86 0.06 . 1 . . . . . . . . 5013 1 614 . 1 1 57 57 THR HG21 H 1 1.170 0.014 . 1 . . . . . . . . 5013 1 615 . 1 1 57 57 THR HG22 H 1 1.170 0.014 . 1 . . . . . . . . 5013 1 616 . 1 1 57 57 THR HG23 H 1 1.170 0.014 . 1 . . . . . . . . 5013 1 617 . 1 1 58 58 ASP N N 15 120.82 0.05 . 1 . . . . . . . . 5013 1 618 . 1 1 58 58 ASP H H 1 8.050 0.004 . 1 . . . . . . . . 5013 1 619 . 1 1 58 58 ASP CA C 13 52.86 0.04 . 1 . . . . . . . . 5013 1 620 . 1 1 58 58 ASP HA H 1 4.658 0.013 . 1 . . . . . . . . 5013 1 621 . 1 1 58 58 ASP C C 13 174.90 0.00 . 1 . . . . . . . . 5013 1 622 . 1 1 58 58 ASP CB C 13 40.86 0.06 . 1 . . . . . . . . 5013 1 623 . 1 1 58 58 ASP HB2 H 1 3.060 0.019 . 2 . . . . . . . . 5013 1 624 . 1 1 58 58 ASP HB3 H 1 2.595 0.018 . 2 . . . . . . . . 5013 1 625 . 1 1 59 59 ARG N N 15 117.70 0.04 . 1 . . . . . . . . 5013 1 626 . 1 1 59 59 ARG H H 1 7.646 0.004 . 1 . . . . . . . . 5013 1 627 . 1 1 59 59 ARG CA C 13 54.46 0.08 . 1 . . . . . . . . 5013 1 628 . 1 1 59 59 ARG HA H 1 4.454 0.018 . 1 . . . . . . . . 5013 1 629 . 1 1 59 59 ARG C C 13 175.43 0.00 . 1 . . . . . . . . 5013 1 630 . 1 1 59 59 ARG CB C 13 31.85 0.02 . 1 . . . . . . . . 5013 1 631 . 1 1 59 59 ARG HB2 H 1 1.842 0.010 . 2 . . . . . . . . 5013 1 632 . 1 1 59 59 ARG HB3 H 1 1.746 0.014 . 2 . . . . . . . . 5013 1 633 . 1 1 59 59 ARG CG C 13 26.38 0.06 . 1 . . . . . . . . 5013 1 634 . 1 1 59 59 ARG CD C 13 43.29 0.07 . 1 . . . . . . . . 5013 1 635 . 1 1 59 59 ARG HG2 H 1 1.658 0.017 . 1 . . . . . . . . 5013 1 636 . 1 1 59 59 ARG HD2 H 1 3.208 0.012 . 1 . . . . . . . . 5013 1 637 . 1 1 60 60 ALA N N 15 125.35 0.03 . 1 . . . . . . . . 5013 1 638 . 1 1 60 60 ALA H H 1 8.610 0.002 . 1 . . . . . . . . 5013 1 639 . 1 1 60 60 ALA CA C 13 49.98 0.05 . 1 . . . . . . . . 5013 1 640 . 1 1 60 60 ALA HA H 1 4.387 0.003 . 1 . . . . . . . . 5013 1 641 . 1 1 60 60 ALA CB C 13 18.25 0.03 . 1 . . . . . . . . 5013 1 642 . 1 1 60 60 ALA HB1 H 1 1.362 0.013 . 1 . . . . . . . . 5013 1 643 . 1 1 60 60 ALA HB2 H 1 1.362 0.013 . 1 . . . . . . . . 5013 1 644 . 1 1 60 60 ALA HB3 H 1 1.362 0.013 . 1 . . . . . . . . 5013 1 645 . 1 1 61 61 PRO CA C 13 62.01 0.02 . 1 . . . . . . . . 5013 1 646 . 1 1 61 61 PRO HA H 1 4.602 0.009 . 1 . . . . . . . . 5013 1 647 . 1 1 61 61 PRO C C 13 177.09 0.00 . 1 . . . . . . . . 5013 1 648 . 1 1 61 61 PRO CB C 13 32.01 0.03 . 1 . . . . . . . . 5013 1 649 . 1 1 61 61 PRO HB2 H 1 2.311 0.013 . 2 . . . . . . . . 5013 1 650 . 1 1 61 61 PRO HB3 H 1 1.939 0.006 . 2 . . . . . . . . 5013 1 651 . 1 1 61 61 PRO CG C 13 27.15 0.01 . 1 . . . . . . . . 5013 1 652 . 1 1 61 61 PRO HG2 H 1 1.912 0.010 . 2 . . . . . . . . 5013 1 653 . 1 1 61 61 PRO HG3 H 1 1.837 0.005 . 2 . . . . . . . . 5013 1 654 . 1 1 61 61 PRO CD C 13 49.88 0.02 . 1 . . . . . . . . 5013 1 655 . 1 1 61 61 PRO HD2 H 1 3.759 0.010 . 2 . . . . . . . . 5013 1 656 . 1 1 61 61 PRO HD3 H 1 3.218 0.013 . 2 . . . . . . . . 5013 1 657 . 1 1 62 62 VAL N N 15 123.01 0.03 . 1 . . . . . . . . 5013 1 658 . 1 1 62 62 VAL H H 1 8.541 0.006 . 1 . . . . . . . . 5013 1 659 . 1 1 62 62 VAL CA C 13 65.26 0.04 . 1 . . . . . . . . 5013 1 660 . 1 1 62 62 VAL HA H 1 3.790 0.017 . 1 . . . . . . . . 5013 1 661 . 1 1 62 62 VAL C C 13 177.36 0.00 . 1 . . . . . . . . 5013 1 662 . 1 1 62 62 VAL CB C 13 31.27 0.05 . 1 . . . . . . . . 5013 1 663 . 1 1 62 62 VAL HB H 1 2.012 0.012 . 1 . . . . . . . . 5013 1 664 . 1 1 62 62 VAL CG1 C 13 21.71 0.03 . 2 . . . . . . . . 5013 1 665 . 1 1 62 62 VAL HG11 H 1 1.089 0.017 . 2 . . . . . . . . 5013 1 666 . 1 1 62 62 VAL HG12 H 1 1.089 0.017 . 2 . . . . . . . . 5013 1 667 . 1 1 62 62 VAL HG13 H 1 1.089 0.017 . 2 . . . . . . . . 5013 1 668 . 1 1 62 62 VAL CG2 C 13 20.91 0.07 . 2 . . . . . . . . 5013 1 669 . 1 1 62 62 VAL HG21 H 1 0.994 0.015 . 2 . . . . . . . . 5013 1 670 . 1 1 62 62 VAL HG22 H 1 0.994 0.015 . 2 . . . . . . . . 5013 1 671 . 1 1 62 62 VAL HG23 H 1 0.994 0.015 . 2 . . . . . . . . 5013 1 672 . 1 1 63 63 GLY N N 15 113.98 0.01 . 1 . . . . . . . . 5013 1 673 . 1 1 63 63 GLY H H 1 8.779 0.004 . 1 . . . . . . . . 5013 1 674 . 1 1 63 63 GLY CA C 13 44.82 0.10 . 1 . . . . . . . . 5013 1 675 . 1 1 63 63 GLY HA2 H 1 4.229 0.009 . 2 . . . . . . . . 5013 1 676 . 1 1 63 63 GLY HA3 H 1 3.841 0.008 . 2 . . . . . . . . 5013 1 677 . 1 1 63 63 GLY C C 13 175.31 0.00 . 1 . . . . . . . . 5013 1 678 . 1 1 64 64 GLY N N 15 108.67 0.04 . 1 . . . . . . . . 5013 1 679 . 1 1 64 64 GLY H H 1 8.216 0.007 . 1 . . . . . . . . 5013 1 680 . 1 1 64 64 GLY CA C 13 44.46 0.07 . 1 . . . . . . . . 5013 1 681 . 1 1 64 64 GLY HA2 H 1 4.558 0.011 . 2 . . . . . . . . 5013 1 682 . 1 1 64 64 GLY HA3 H 1 3.865 0.007 . 2 . . . . . . . . 5013 1 683 . 1 1 64 64 GLY C C 13 174.25 0.00 . 1 . . . . . . . . 5013 1 684 . 1 1 65 65 LEU N N 15 116.70 0.03 . 1 . . . . . . . . 5013 1 685 . 1 1 65 65 LEU H H 1 8.880 0.007 . 1 . . . . . . . . 5013 1 686 . 1 1 65 65 LEU CA C 13 57.18 0.04 . 1 . . . . . . . . 5013 1 687 . 1 1 65 65 LEU HA H 1 3.926 0.008 . 1 . . . . . . . . 5013 1 688 . 1 1 65 65 LEU C C 13 177.98 0.00 . 1 . . . . . . . . 5013 1 689 . 1 1 65 65 LEU CB C 13 41.59 0.03 . 1 . . . . . . . . 5013 1 690 . 1 1 65 65 LEU HB2 H 1 1.849 0.004 . 2 . . . . . . . . 5013 1 691 . 1 1 65 65 LEU HB3 H 1 1.546 0.009 . 2 . . . . . . . . 5013 1 692 . 1 1 65 65 LEU CG C 13 27.34 0.00 . 1 . . . . . . . . 5013 1 693 . 1 1 65 65 LEU HG H 1 1.953 0.004 . 1 . . . . . . . . 5013 1 694 . 1 1 65 65 LEU CD1 C 13 24.26 0.00 . 1 . . . . . . . . 5013 1 695 . 1 1 65 65 LEU HD11 H 1 0.935 0.004 . 1 . . . . . . . . 5013 1 696 . 1 1 65 65 LEU HD12 H 1 0.935 0.004 . 1 . . . . . . . . 5013 1 697 . 1 1 65 65 LEU HD13 H 1 0.935 0.004 . 1 . . . . . . . . 5013 1 698 . 1 1 66 66 GLY N N 15 104.84 0.04 . 1 . . . . . . . . 5013 1 699 . 1 1 66 66 GLY H H 1 8.796 0.007 . 1 . . . . . . . . 5013 1 700 . 1 1 66 66 GLY CA C 13 45.98 0.06 . 1 . . . . . . . . 5013 1 701 . 1 1 66 66 GLY HA2 H 1 4.038 0.015 . 2 . . . . . . . . 5013 1 702 . 1 1 66 66 GLY HA3 H 1 3.761 0.014 . 2 . . . . . . . . 5013 1 703 . 1 1 66 66 GLY C C 13 175.91 0.00 . 1 . . . . . . . . 5013 1 704 . 1 1 67 67 LYS N N 15 116.94 0.05 . 1 . . . . . . . . 5013 1 705 . 1 1 67 67 LYS H H 1 7.604 0.005 . 1 . . . . . . . . 5013 1 706 . 1 1 67 67 LYS CA C 13 54.72 0.05 . 1 . . . . . . . . 5013 1 707 . 1 1 67 67 LYS HA H 1 4.306 0.013 . 1 . . . . . . . . 5013 1 708 . 1 1 67 67 LYS C C 13 177.21 0.00 . 1 . . . . . . . . 5013 1 709 . 1 1 67 67 LYS CB C 13 31.46 0.02 . 1 . . . . . . . . 5013 1 710 . 1 1 67 67 LYS HB2 H 1 2.056 0.002 . 2 . . . . . . . . 5013 1 711 . 1 1 67 67 LYS HB3 H 1 1.869 0.003 . 2 . . . . . . . . 5013 1 712 . 1 1 67 67 LYS CG C 13 24.20 0.01 . 1 . . . . . . . . 5013 1 713 . 1 1 67 67 LYS HG2 H 1 1.680 0.009 . 2 . . . . . . . . 5013 1 714 . 1 1 67 67 LYS HG3 H 1 1.365 0.005 . 2 . . . . . . . . 5013 1 715 . 1 1 67 67 LYS CD C 13 27.61 0.12 . 1 . . . . . . . . 5013 1 716 . 1 1 67 67 LYS CE C 13 42.21 0.00 . 1 . . . . . . . . 5013 1 717 . 1 1 67 67 LYS HE2 H 1 3.085 0.003 . 2 . . . . . . . . 5013 1 718 . 1 1 67 67 LYS HE3 H 1 3.000 0.001 . 2 . . . . . . . . 5013 1 719 . 1 1 67 67 LYS HD2 H 1 1.674 0.007 . 1 . . . . . . . . 5013 1 720 . 1 1 68 68 LEU N N 15 121.03 0.04 . 1 . . . . . . . . 5013 1 721 . 1 1 68 68 LEU H H 1 7.601 0.006 . 1 . . . . . . . . 5013 1 722 . 1 1 68 68 LEU CA C 13 55.90 0.02 . 1 . . . . . . . . 5013 1 723 . 1 1 68 68 LEU HA H 1 4.137 0.001 . 1 . . . . . . . . 5013 1 724 . 1 1 68 68 LEU C C 13 175.64 0.00 . 1 . . . . . . . . 5013 1 725 . 1 1 68 68 LEU CB C 13 42.69 0.04 . 1 . . . . . . . . 5013 1 726 . 1 1 68 68 LEU HB2 H 1 1.693 0.013 . 2 . . . . . . . . 5013 1 727 . 1 1 68 68 LEU HB3 H 1 1.577 0.009 . 2 . . . . . . . . 5013 1 728 . 1 1 68 68 LEU CD1 C 13 24.26 0.00 . 1 . . . . . . . . 5013 1 729 . 1 1 68 68 LEU HD11 H 1 0.944 0.013 . 1 . . . . . . . . 5013 1 730 . 1 1 68 68 LEU HD12 H 1 0.944 0.013 . 1 . . . . . . . . 5013 1 731 . 1 1 68 68 LEU HD13 H 1 0.944 0.013 . 1 . . . . . . . . 5013 1 732 . 1 1 69 69 LYS N N 15 118.83 0.04 . 1 . . . . . . . . 5013 1 733 . 1 1 69 69 LYS H H 1 7.738 0.006 . 1 . . . . . . . . 5013 1 734 . 1 1 69 69 LYS CA C 13 55.85 0.02 . 1 . . . . . . . . 5013 1 735 . 1 1 69 69 LYS HA H 1 4.137 0.001 . 1 . . . . . . . . 5013 1 736 . 1 1 69 69 LYS C C 13 174.87 0.00 . 1 . . . . . . . . 5013 1 737 . 1 1 69 69 LYS CB C 13 30.41 0.08 . 1 . . . . . . . . 5013 1 738 . 1 1 69 69 LYS HB2 H 1 1.894 0.001 . 2 . . . . . . . . 5013 1 739 . 1 1 69 69 LYS HB3 H 1 1.772 0.012 . 2 . . . . . . . . 5013 1 740 . 1 1 69 69 LYS CG C 13 24.44 0.06 . 1 . . . . . . . . 5013 1 741 . 1 1 69 69 LYS HG2 H 1 1.506 0.002 . 2 . . . . . . . . 5013 1 742 . 1 1 69 69 LYS HG3 H 1 1.370 0.002 . 2 . . . . . . . . 5013 1 743 . 1 1 69 69 LYS CE C 13 41.77 0.10 . 1 . . . . . . . . 5013 1 744 . 1 1 69 69 LYS HE2 H 1 3.054 0.005 . 1 . . . . . . . . 5013 1 745 . 1 1 70 70 MET N N 15 122.75 0.04 . 1 . . . . . . . . 5013 1 746 . 1 1 70 70 MET H H 1 8.416 0.004 . 1 . . . . . . . . 5013 1 747 . 1 1 70 70 MET CA C 13 55.73 0.05 . 1 . . . . . . . . 5013 1 748 . 1 1 70 70 MET HA H 1 4.740 0.017 . 1 . . . . . . . . 5013 1 749 . 1 1 70 70 MET C C 13 174.49 0.00 . 1 . . . . . . . . 5013 1 750 . 1 1 70 70 MET CB C 13 35.31 0.02 . 1 . . . . . . . . 5013 1 751 . 1 1 70 70 MET HB2 H 1 2.381 0.009 . 2 . . . . . . . . 5013 1 752 . 1 1 70 70 MET HB3 H 1 1.768 0.013 . 2 . . . . . . . . 5013 1 753 . 1 1 70 70 MET CG C 13 32.04 0.02 . 1 . . . . . . . . 5013 1 754 . 1 1 70 70 MET HG2 H 1 2.527 0.001 . 2 . . . . . . . . 5013 1 755 . 1 1 70 70 MET HG3 H 1 2.437 0.007 . 2 . . . . . . . . 5013 1 756 . 1 1 70 70 MET CE C 13 17.57 0.05 . 1 . . . . . . . . 5013 1 757 . 1 1 70 70 MET HE1 H 1 2.222 0.004 . 1 . . . . . . . . 5013 1 758 . 1 1 70 70 MET HE2 H 1 2.222 0.004 . 1 . . . . . . . . 5013 1 759 . 1 1 70 70 MET HE3 H 1 2.222 0.004 . 1 . . . . . . . . 5013 1 760 . 1 1 71 71 ILE N N 15 125.30 0.05 . 1 . . . . . . . . 5013 1 761 . 1 1 71 71 ILE H H 1 8.280 0.005 . 1 . . . . . . . . 5013 1 762 . 1 1 71 71 ILE CA C 13 58.61 0.05 . 1 . . . . . . . . 5013 1 763 . 1 1 71 71 ILE HA H 1 4.890 0.012 . 1 . . . . . . . . 5013 1 764 . 1 1 71 71 ILE C C 13 175.32 0.00 . 1 . . . . . . . . 5013 1 765 . 1 1 71 71 ILE CB C 13 41.41 0.02 . 1 . . . . . . . . 5013 1 766 . 1 1 71 71 ILE HB H 1 1.681 0.008 . 1 . . . . . . . . 5013 1 767 . 1 1 71 71 ILE HG12 H 1 1.622 0.000 . 2 . . . . . . . . 5013 1 768 . 1 1 71 71 ILE HG13 H 1 1.008 0.000 . 2 . . . . . . . . 5013 1 769 . 1 1 71 71 ILE CG2 C 13 17.16 0.03 . 1 . . . . . . . . 5013 1 770 . 1 1 71 71 ILE HG21 H 1 0.706 0.011 . 1 . . . . . . . . 5013 1 771 . 1 1 71 71 ILE HG22 H 1 0.706 0.011 . 1 . . . . . . . . 5013 1 772 . 1 1 71 71 ILE HG23 H 1 0.706 0.011 . 1 . . . . . . . . 5013 1 773 . 1 1 71 71 ILE CD1 C 13 13.61 0.02 . 1 . . . . . . . . 5013 1 774 . 1 1 71 71 ILE HD11 H 1 0.839 0.011 . 1 . . . . . . . . 5013 1 775 . 1 1 71 71 ILE HD12 H 1 0.839 0.011 . 1 . . . . . . . . 5013 1 776 . 1 1 71 71 ILE HD13 H 1 0.839 0.011 . 1 . . . . . . . . 5013 1 777 . 1 1 72 72 ILE N N 15 125.17 0.04 . 1 . . . . . . . . 5013 1 778 . 1 1 72 72 ILE H H 1 8.449 0.005 . 1 . . . . . . . . 5013 1 779 . 1 1 72 72 ILE CA C 13 60.79 0.06 . 1 . . . . . . . . 5013 1 780 . 1 1 72 72 ILE HA H 1 4.903 0.012 . 1 . . . . . . . . 5013 1 781 . 1 1 72 72 ILE C C 13 174.26 0.00 . 1 . . . . . . . . 5013 1 782 . 1 1 72 72 ILE CB C 13 37.80 0.06 . 1 . . . . . . . . 5013 1 783 . 1 1 72 72 ILE HB H 1 1.907 0.010 . 1 . . . . . . . . 5013 1 784 . 1 1 72 72 ILE CG1 C 13 27.01 0.09 . 1 . . . . . . . . 5013 1 785 . 1 1 72 72 ILE HG12 H 1 1.497 0.010 . 2 . . . . . . . . 5013 1 786 . 1 1 72 72 ILE HG13 H 1 0.835 0.005 . 2 . . . . . . . . 5013 1 787 . 1 1 72 72 ILE CG2 C 13 17.93 0.06 . 1 . . . . . . . . 5013 1 788 . 1 1 72 72 ILE HG21 H 1 0.612 0.008 . 1 . . . . . . . . 5013 1 789 . 1 1 72 72 ILE HG22 H 1 0.612 0.008 . 1 . . . . . . . . 5013 1 790 . 1 1 72 72 ILE HG23 H 1 0.612 0.008 . 1 . . . . . . . . 5013 1 791 . 1 1 72 72 ILE CD1 C 13 13.85 0.07 . 1 . . . . . . . . 5013 1 792 . 1 1 72 72 ILE HD11 H 1 0.323 0.010 . 1 . . . . . . . . 5013 1 793 . 1 1 72 72 ILE HD12 H 1 0.323 0.010 . 1 . . . . . . . . 5013 1 794 . 1 1 72 72 ILE HD13 H 1 0.323 0.010 . 1 . . . . . . . . 5013 1 795 . 1 1 73 73 ALA N N 15 130.17 0.04 . 1 . . . . . . . . 5013 1 796 . 1 1 73 73 ALA H H 1 9.246 0.006 . 1 . . . . . . . . 5013 1 797 . 1 1 73 73 ALA CA C 13 48.63 0.05 . 1 . . . . . . . . 5013 1 798 . 1 1 73 73 ALA HA H 1 5.105 0.014 . 1 . . . . . . . . 5013 1 799 . 1 1 73 73 ALA C C 13 175.82 0.00 . 1 . . . . . . . . 5013 1 800 . 1 1 73 73 ALA CB C 13 22.16 0.03 . 1 . . . . . . . . 5013 1 801 . 1 1 73 73 ALA HB1 H 1 1.206 0.011 . 1 . . . . . . . . 5013 1 802 . 1 1 73 73 ALA HB2 H 1 1.206 0.011 . 1 . . . . . . . . 5013 1 803 . 1 1 73 73 ALA HB3 H 1 1.206 0.011 . 1 . . . . . . . . 5013 1 804 . 1 1 74 74 LYS N N 15 124.27 0.04 . 1 . . . . . . . . 5013 1 805 . 1 1 74 74 LYS H H 1 7.337 0.007 . 1 . . . . . . . . 5013 1 806 . 1 1 74 74 LYS CA C 13 57.60 0.02 . 1 . . . . . . . . 5013 1 807 . 1 1 74 74 LYS HA H 1 3.994 0.014 . 1 . . . . . . . . 5013 1 808 . 1 1 74 74 LYS C C 13 176.08 0.00 . 1 . . . . . . . . 5013 1 809 . 1 1 74 74 LYS CB C 13 30.89 0.04 . 1 . . . . . . . . 5013 1 810 . 1 1 74 74 LYS HB2 H 1 1.373 0.007 . 2 . . . . . . . . 5013 1 811 . 1 1 74 74 LYS HB3 H 1 0.168 0.019 . 2 . . . . . . . . 5013 1 812 . 1 1 74 74 LYS CE C 13 41.87 0.10 . 1 . . . . . . . . 5013 1 813 . 1 1 74 74 LYS HE2 H 1 2.537 0.011 . 1 . . . . . . . . 5013 1 814 . 1 1 75 75 ASN N N 15 126.01 0.02 . 1 . . . . . . . . 5013 1 815 . 1 1 75 75 ASN H H 1 7.209 0.011 . 1 . . . . . . . . 5013 1 816 . 1 1 75 75 ASN CA C 13 50.35 0.06 . 1 . . . . . . . . 5013 1 817 . 1 1 75 75 ASN HA H 1 5.149 0.003 . 1 . . . . . . . . 5013 1 818 . 1 1 75 75 ASN C C 13 173.85 0.00 . 1 . . . . . . . . 5013 1 819 . 1 1 75 75 ASN CB C 13 40.04 0.05 . 1 . . . . . . . . 5013 1 820 . 1 1 75 75 ASN HB2 H 1 2.239 0.012 . 2 . . . . . . . . 5013 1 821 . 1 1 75 75 ASN HB3 H 1 2.132 0.016 . 2 . . . . . . . . 5013 1 822 . 1 1 75 75 ASN ND2 N 15 111.39 0.07 . 1 . . . . . . . . 5013 1 823 . 1 1 75 75 ASN HD21 H 1 7.429 0.002 . 2 . . . . . . . . 5013 1 824 . 1 1 75 75 ASN HD22 H 1 6.968 0.008 . 2 . . . . . . . . 5013 1 825 . 1 1 76 76 GLY N N 15 108.82 0.06 . 1 . . . . . . . . 5013 1 826 . 1 1 76 76 GLY H H 1 7.727 0.005 . 1 . . . . . . . . 5013 1 827 . 1 1 76 76 GLY CA C 13 44.71 0.07 . 1 . . . . . . . . 5013 1 828 . 1 1 76 76 GLY HA2 H 1 4.317 0.016 . 2 . . . . . . . . 5013 1 829 . 1 1 76 76 GLY HA3 H 1 3.786 0.016 . 2 . . . . . . . . 5013 1 830 . 1 1 77 77 PRO CA C 13 61.98 0.04 . 1 . . . . . . . . 5013 1 831 . 1 1 77 77 PRO HA H 1 4.739 0.010 . 1 . . . . . . . . 5013 1 832 . 1 1 77 77 PRO C C 13 174.54 0.00 . 1 . . . . . . . . 5013 1 833 . 1 1 77 77 PRO CB C 13 33.41 0.00 . 1 . . . . . . . . 5013 1 834 . 1 1 77 77 PRO HB2 H 1 2.308 0.003 . 2 . . . . . . . . 5013 1 835 . 1 1 77 77 PRO HB3 H 1 2.229 0.001 . 2 . . . . . . . . 5013 1 836 . 1 1 77 77 PRO CG C 13 26.24 0.02 . 1 . . . . . . . . 5013 1 837 . 1 1 77 77 PRO HG2 H 1 2.061 0.005 . 2 . . . . . . . . 5013 1 838 . 1 1 77 77 PRO HG3 H 1 1.772 0.001 . 2 . . . . . . . . 5013 1 839 . 1 1 77 77 PRO CD C 13 48.87 0.03 . 1 . . . . . . . . 5013 1 840 . 1 1 77 77 PRO HD2 H 1 3.595 0.011 . 2 . . . . . . . . 5013 1 841 . 1 1 77 77 PRO HD3 H 1 3.437 0.012 . 2 . . . . . . . . 5013 1 842 . 1 1 78 78 ASP N N 15 115.98 0.04 . 1 . . . . . . . . 5013 1 843 . 1 1 78 78 ASP H H 1 7.865 0.005 . 1 . . . . . . . . 5013 1 844 . 1 1 78 78 ASP CA C 13 57.54 0.15 . 1 . . . . . . . . 5013 1 845 . 1 1 78 78 ASP HA H 1 3.858 0.020 . 1 . . . . . . . . 5013 1 846 . 1 1 78 78 ASP C C 13 174.44 0.00 . 1 . . . . . . . . 5013 1 847 . 1 1 78 78 ASP CB C 13 42.36 0.09 . 1 . . . . . . . . 5013 1 848 . 1 1 78 78 ASP HB2 H 1 2.995 0.006 . 2 . . . . . . . . 5013 1 849 . 1 1 78 78 ASP HB3 H 1 2.547 0.011 . 2 . . . . . . . . 5013 1 850 . 1 1 79 79 THR N N 15 118.18 0.05 . 1 . . . . . . . . 5013 1 851 . 1 1 79 79 THR H H 1 7.195 0.008 . 1 . . . . . . . . 5013 1 852 . 1 1 79 79 THR CA C 13 59.21 0.03 . 1 . . . . . . . . 5013 1 853 . 1 1 79 79 THR HA H 1 4.741 0.011 . 1 . . . . . . . . 5013 1 854 . 1 1 79 79 THR C C 13 172.42 0.00 . 1 . . . . . . . . 5013 1 855 . 1 1 79 79 THR CB C 13 68.36 0.05 . 1 . . . . . . . . 5013 1 856 . 1 1 79 79 THR HB H 1 4.341 0.015 . 1 . . . . . . . . 5013 1 857 . 1 1 79 79 THR CG2 C 13 20.48 0.07 . 1 . . . . . . . . 5013 1 858 . 1 1 79 79 THR HG21 H 1 1.245 0.011 . 1 . . . . . . . . 5013 1 859 . 1 1 79 79 THR HG22 H 1 1.245 0.011 . 1 . . . . . . . . 5013 1 860 . 1 1 79 79 THR HG23 H 1 1.245 0.011 . 1 . . . . . . . . 5013 1 861 . 1 1 80 80 GLU N N 15 121.37 0.03 . 1 . . . . . . . . 5013 1 862 . 1 1 80 80 GLU H H 1 8.323 0.003 . 1 . . . . . . . . 5013 1 863 . 1 1 80 80 GLU CA C 13 56.33 0.10 . 1 . . . . . . . . 5013 1 864 . 1 1 80 80 GLU HA H 1 4.593 0.012 . 1 . . . . . . . . 5013 1 865 . 1 1 80 80 GLU C C 13 177.91 0.00 . 1 . . . . . . . . 5013 1 866 . 1 1 80 80 GLU CB C 13 29.70 0.02 . 1 . . . . . . . . 5013 1 867 . 1 1 80 80 GLU HB2 H 1 2.255 0.007 . 2 . . . . . . . . 5013 1 868 . 1 1 80 80 GLU HB3 H 1 1.988 0.009 . 2 . . . . . . . . 5013 1 869 . 1 1 80 80 GLU CG C 13 36.54 0.01 . 1 . . . . . . . . 5013 1 870 . 1 1 80 80 GLU HG3 H 1 2.355 0.006 . 1 . . . . . . . . 5013 1 871 . 1 1 81 81 ARG N N 15 121.74 0.04 . 1 . . . . . . . . 5013 1 872 . 1 1 81 81 ARG H H 1 8.458 0.003 . 1 . . . . . . . . 5013 1 873 . 1 1 81 81 ARG CA C 13 57.20 0.06 . 1 . . . . . . . . 5013 1 874 . 1 1 81 81 ARG HA H 1 4.251 0.015 . 1 . . . . . . . . 5013 1 875 . 1 1 81 81 ARG C C 13 175.99 0.00 . 1 . . . . . . . . 5013 1 876 . 1 1 81 81 ARG CB C 13 30.70 0.00 . 1 . . . . . . . . 5013 1 877 . 1 1 81 81 ARG HB2 H 1 2.036 0.012 . 2 . . . . . . . . 5013 1 878 . 1 1 81 81 ARG HB3 H 1 1.885 0.002 . 2 . . . . . . . . 5013 1 879 . 1 1 81 81 ARG CG C 13 27.91 0.02 . 1 . . . . . . . . 5013 1 880 . 1 1 81 81 ARG CD C 13 43.34 0.08 . 1 . . . . . . . . 5013 1 881 . 1 1 81 81 ARG HG2 H 1 1.822 0.015 . 1 . . . . . . . . 5013 1 882 . 1 1 81 81 ARG HD2 H 1 3.320 0.014 . 1 . . . . . . . . 5013 1 883 . 1 1 82 82 LEU N N 15 120.78 0.04 . 1 . . . . . . . . 5013 1 884 . 1 1 82 82 LEU H H 1 8.449 0.004 . 1 . . . . . . . . 5013 1 885 . 1 1 82 82 LEU CA C 13 53.52 0.04 . 1 . . . . . . . . 5013 1 886 . 1 1 82 82 LEU HA H 1 4.495 0.014 . 1 . . . . . . . . 5013 1 887 . 1 1 82 82 LEU CB C 13 41.23 0.02 . 1 . . . . . . . . 5013 1 888 . 1 1 82 82 LEU HB2 H 1 1.871 0.004 . 2 . . . . . . . . 5013 1 889 . 1 1 82 82 LEU HB3 H 1 1.677 0.006 . 2 . . . . . . . . 5013 1 890 . 1 1 82 82 LEU CG C 13 26.90 0.01 . 1 . . . . . . . . 5013 1 891 . 1 1 82 82 LEU HG H 1 2.005 0.002 . 1 . . . . . . . . 5013 1 892 . 1 1 82 82 LEU CD1 C 13 23.47 0.02 . 2 . . . . . . . . 5013 1 893 . 1 1 82 82 LEU HD11 H 1 1.074 0.014 . 2 . . . . . . . . 5013 1 894 . 1 1 82 82 LEU HD12 H 1 1.074 0.014 . 2 . . . . . . . . 5013 1 895 . 1 1 82 82 LEU HD13 H 1 1.074 0.014 . 2 . . . . . . . . 5013 1 896 . 1 1 82 82 LEU CD2 C 13 25.59 0.04 . 2 . . . . . . . . 5013 1 897 . 1 1 82 82 LEU HD21 H 1 0.967 0.011 . 2 . . . . . . . . 5013 1 898 . 1 1 82 82 LEU HD22 H 1 0.967 0.011 . 2 . . . . . . . . 5013 1 899 . 1 1 82 82 LEU HD23 H 1 0.967 0.011 . 2 . . . . . . . . 5013 1 900 . 1 1 83 83 PRO CA C 13 63.04 0.02 . 1 . . . . . . . . 5013 1 901 . 1 1 83 83 PRO HA H 1 4.944 0.007 . 1 . . . . . . . . 5013 1 902 . 1 1 83 83 PRO C C 13 174.11 0.00 . 1 . . . . . . . . 5013 1 903 . 1 1 83 83 PRO CB C 13 32.81 0.05 . 1 . . . . . . . . 5013 1 904 . 1 1 83 83 PRO HB2 H 1 2.701 0.010 . 2 . . . . . . . . 5013 1 905 . 1 1 83 83 PRO HB3 H 1 2.017 0.000 . 2 . . . . . . . . 5013 1 906 . 1 1 83 83 PRO CG C 13 27.85 0.03 . 1 . . . . . . . . 5013 1 907 . 1 1 83 83 PRO HG2 H 1 2.171 0.008 . 2 . . . . . . . . 5013 1 908 . 1 1 83 83 PRO HG3 H 1 1.947 0.006 . 2 . . . . . . . . 5013 1 909 . 1 1 83 83 PRO CD C 13 49.91 0.02 . 1 . . . . . . . . 5013 1 910 . 1 1 83 83 PRO HD2 H 1 4.331 0.008 . 2 . . . . . . . . 5013 1 911 . 1 1 83 83 PRO HD3 H 1 3.558 0.007 . 2 . . . . . . . . 5013 1 912 . 1 1 84 84 THR N N 15 110.56 0.04 . 1 . . . . . . . . 5013 1 913 . 1 1 84 84 THR H H 1 8.171 0.005 . 1 . . . . . . . . 5013 1 914 . 1 1 84 84 THR CA C 13 59.89 0.08 . 1 . . . . . . . . 5013 1 915 . 1 1 84 84 THR HA H 1 4.977 0.011 . 1 . . . . . . . . 5013 1 916 . 1 1 84 84 THR C C 13 172.20 0.00 . 1 . . . . . . . . 5013 1 917 . 1 1 84 84 THR CB C 13 72.19 0.03 . 1 . . . . . . . . 5013 1 918 . 1 1 84 84 THR HB H 1 4.368 0.010 . 1 . . . . . . . . 5013 1 919 . 1 1 84 84 THR CG2 C 13 22.48 0.02 . 1 . . . . . . . . 5013 1 920 . 1 1 84 84 THR HG21 H 1 1.290 0.014 . 1 . . . . . . . . 5013 1 921 . 1 1 84 84 THR HG22 H 1 1.290 0.014 . 1 . . . . . . . . 5013 1 922 . 1 1 84 84 THR HG23 H 1 1.290 0.014 . 1 . . . . . . . . 5013 1 923 . 1 1 85 85 SER N N 15 112.98 0.04 . 1 . . . . . . . . 5013 1 924 . 1 1 85 85 SER H H 1 8.286 0.003 . 1 . . . . . . . . 5013 1 925 . 1 1 85 85 SER CA C 13 55.64 0.09 . 1 . . . . . . . . 5013 1 926 . 1 1 85 85 SER HA H 1 5.340 0.012 . 1 . . . . . . . . 5013 1 927 . 1 1 85 85 SER C C 13 174.00 0.00 . 1 . . . . . . . . 5013 1 928 . 1 1 85 85 SER CB C 13 66.39 0.04 . 1 . . . . . . . . 5013 1 929 . 1 1 85 85 SER HB2 H 1 3.660 0.010 . 2 . . . . . . . . 5013 1 930 . 1 1 85 85 SER HB3 H 1 3.200 0.014 . 2 . . . . . . . . 5013 1 931 . 1 1 86 86 HIS N N 15 121.30 0.04 . 1 . . . . . . . . 5013 1 932 . 1 1 86 86 HIS H H 1 8.872 0.007 . 1 . . . . . . . . 5013 1 933 . 1 1 86 86 HIS CA C 13 54.09 0.09 . 1 . . . . . . . . 5013 1 934 . 1 1 86 86 HIS HA H 1 5.180 0.009 . 1 . . . . . . . . 5013 1 935 . 1 1 86 86 HIS C C 13 177.36 0.00 . 1 . . . . . . . . 5013 1 936 . 1 1 86 86 HIS CB C 13 31.89 0.08 . 1 . . . . . . . . 5013 1 937 . 1 1 86 86 HIS HB2 H 1 3.238 0.011 . 2 . . . . . . . . 5013 1 938 . 1 1 86 86 HIS HB3 H 1 3.035 0.014 . 2 . . . . . . . . 5013 1 939 . 1 1 86 86 HIS CD2 C 13 118.74 0.30 . 1 . . . . . . . . 5013 1 940 . 1 1 86 86 HIS HD2 H 1 6.944 0.005 . 1 . . . . . . . . 5013 1 941 . 1 1 86 86 HIS CE1 C 13 138.63 0.08 . 1 . . . . . . . . 5013 1 942 . 1 1 86 86 HIS HE1 H 1 7.757 0.005 . 1 . . . . . . . . 5013 1 943 . 1 1 87 87 THR N N 15 117.89 0.02 . 1 . . . . . . . . 5013 1 944 . 1 1 87 87 THR H H 1 8.685 0.010 . 1 . . . . . . . . 5013 1 945 . 1 1 87 87 THR CA C 13 64.87 0.06 . 1 . . . . . . . . 5013 1 946 . 1 1 87 87 THR HA H 1 4.215 0.008 . 1 . . . . . . . . 5013 1 947 . 1 1 87 87 THR CB C 13 68.39 0.04 . 1 . . . . . . . . 5013 1 948 . 1 1 87 87 THR HB H 1 3.905 0.015 . 1 . . . . . . . . 5013 1 949 . 1 1 87 87 THR CG2 C 13 21.95 0.02 . 1 . . . . . . . . 5013 1 950 . 1 1 87 87 THR HG21 H 1 1.077 0.009 . 1 . . . . . . . . 5013 1 951 . 1 1 87 87 THR HG22 H 1 1.077 0.009 . 1 . . . . . . . . 5013 1 952 . 1 1 87 87 THR HG23 H 1 1.077 0.009 . 1 . . . . . . . . 5013 1 953 . 1 1 88 88 CYS CA C 13 60.10 0.04 . 1 . . . . . . . . 5013 1 954 . 1 1 88 88 CYS HA H 1 4.196 0.017 . 1 . . . . . . . . 5013 1 955 . 1 1 88 88 CYS C C 13 174.74 0.00 . 1 . . . . . . . . 5013 1 956 . 1 1 88 88 CYS CB C 13 26.87 0.08 . 1 . . . . . . . . 5013 1 957 . 1 1 88 88 CYS HB2 H 1 2.527 0.016 . 1 . . . . . . . . 5013 1 958 . 1 1 89 89 PHE N N 15 116.59 0.07 . 1 . . . . . . . . 5013 1 959 . 1 1 89 89 PHE H H 1 7.113 0.010 . 1 . . . . . . . . 5013 1 960 . 1 1 89 89 PHE CA C 13 55.78 0.08 . 1 . . . . . . . . 5013 1 961 . 1 1 89 89 PHE HA H 1 4.942 0.015 . 1 . . . . . . . . 5013 1 962 . 1 1 89 89 PHE C C 13 173.93 0.00 . 1 . . . . . . . . 5013 1 963 . 1 1 89 89 PHE CB C 13 41.29 0.08 . 1 . . . . . . . . 5013 1 964 . 1 1 89 89 PHE HB2 H 1 3.544 0.017 . 2 . . . . . . . . 5013 1 965 . 1 1 89 89 PHE HB3 H 1 2.503 0.018 . 2 . . . . . . . . 5013 1 966 . 1 1 89 89 PHE CD1 C 13 131.38 0.11 . 1 . . . . . . . . 5013 1 967 . 1 1 89 89 PHE HD1 H 1 7.025 0.006 . 1 . . . . . . . . 5013 1 968 . 1 1 90 90 ASN N N 15 118.23 0.02 . 1 . . . . . . . . 5013 1 969 . 1 1 90 90 ASN H H 1 7.944 0.004 . 1 . . . . . . . . 5013 1 970 . 1 1 90 90 ASN CA C 13 53.68 0.06 . 1 . . . . . . . . 5013 1 971 . 1 1 90 90 ASN HA H 1 4.612 0.016 . 1 . . . . . . . . 5013 1 972 . 1 1 90 90 ASN C C 13 172.64 0.00 . 1 . . . . . . . . 5013 1 973 . 1 1 90 90 ASN CB C 13 36.85 0.05 . 1 . . . . . . . . 5013 1 974 . 1 1 90 90 ASN HB2 H 1 3.275 0.004 . 2 . . . . . . . . 5013 1 975 . 1 1 90 90 ASN HB3 H 1 2.612 0.022 . 2 . . . . . . . . 5013 1 976 . 1 1 90 90 ASN ND2 N 15 110.49 0.00 . 1 . . . . . . . . 5013 1 977 . 1 1 90 90 ASN HD21 H 1 7.490 0.000 . 2 . . . . . . . . 5013 1 978 . 1 1 90 90 ASN HD22 H 1 6.659 0.000 . 2 . . . . . . . . 5013 1 979 . 1 1 91 91 VAL N N 15 115.66 0.04 . 1 . . . . . . . . 5013 1 980 . 1 1 91 91 VAL H H 1 7.380 0.006 . 1 . . . . . . . . 5013 1 981 . 1 1 91 91 VAL CA C 13 60.00 0.07 . 1 . . . . . . . . 5013 1 982 . 1 1 91 91 VAL HA H 1 4.995 0.021 . 1 . . . . . . . . 5013 1 983 . 1 1 91 91 VAL C C 13 174.65 0.00 . 1 . . . . . . . . 5013 1 984 . 1 1 91 91 VAL CB C 13 35.03 0.04 . 1 . . . . . . . . 5013 1 985 . 1 1 91 91 VAL HB H 1 1.912 0.017 . 1 . . . . . . . . 5013 1 986 . 1 1 91 91 VAL CG1 C 13 21.89 0.05 . 2 . . . . . . . . 5013 1 987 . 1 1 91 91 VAL HG11 H 1 0.970 0.011 . 2 . . . . . . . . 5013 1 988 . 1 1 91 91 VAL HG12 H 1 0.970 0.011 . 2 . . . . . . . . 5013 1 989 . 1 1 91 91 VAL HG13 H 1 0.970 0.011 . 2 . . . . . . . . 5013 1 990 . 1 1 91 91 VAL CG2 C 13 21.21 0.06 . 2 . . . . . . . . 5013 1 991 . 1 1 91 91 VAL HG21 H 1 0.835 0.014 . 2 . . . . . . . . 5013 1 992 . 1 1 91 91 VAL HG22 H 1 0.835 0.014 . 2 . . . . . . . . 5013 1 993 . 1 1 91 91 VAL HG23 H 1 0.835 0.014 . 2 . . . . . . . . 5013 1 994 . 1 1 92 92 LEU N N 15 129.39 0.07 . 1 . . . . . . . . 5013 1 995 . 1 1 92 92 LEU H H 1 9.319 0.007 . 1 . . . . . . . . 5013 1 996 . 1 1 92 92 LEU CA C 13 53.38 0.04 . 1 . . . . . . . . 5013 1 997 . 1 1 92 92 LEU HA H 1 4.702 0.008 . 1 . . . . . . . . 5013 1 998 . 1 1 92 92 LEU C C 13 173.84 0.00 . 1 . . . . . . . . 5013 1 999 . 1 1 92 92 LEU CB C 13 43.98 0.06 . 1 . . . . . . . . 5013 1 1000 . 1 1 92 92 LEU HB2 H 1 2.092 0.013 . 2 . . . . . . . . 5013 1 1001 . 1 1 92 92 LEU HB3 H 1 1.359 0.007 . 2 . . . . . . . . 5013 1 1002 . 1 1 92 92 LEU CG C 13 27.71 0.06 . 1 . . . . . . . . 5013 1 1003 . 1 1 92 92 LEU HG H 1 1.532 0.017 . 1 . . . . . . . . 5013 1 1004 . 1 1 92 92 LEU CD1 C 13 23.83 0.08 . 2 . . . . . . . . 5013 1 1005 . 1 1 92 92 LEU HD11 H 1 1.181 0.002 . 2 . . . . . . . . 5013 1 1006 . 1 1 92 92 LEU HD12 H 1 1.181 0.002 . 2 . . . . . . . . 5013 1 1007 . 1 1 92 92 LEU HD13 H 1 1.181 0.002 . 2 . . . . . . . . 5013 1 1008 . 1 1 92 92 LEU CD2 C 13 27.77 0.03 . 2 . . . . . . . . 5013 1 1009 . 1 1 92 92 LEU HD21 H 1 1.051 0.010 . 2 . . . . . . . . 5013 1 1010 . 1 1 92 92 LEU HD22 H 1 1.051 0.010 . 2 . . . . . . . . 5013 1 1011 . 1 1 92 92 LEU HD23 H 1 1.051 0.010 . 2 . . . . . . . . 5013 1 1012 . 1 1 93 93 LEU N N 15 129.23 0.04 . 1 . . . . . . . . 5013 1 1013 . 1 1 93 93 LEU H H 1 9.120 0.006 . 1 . . . . . . . . 5013 1 1014 . 1 1 93 93 LEU CA C 13 54.50 0.07 . 1 . . . . . . . . 5013 1 1015 . 1 1 93 93 LEU HA H 1 4.853 0.014 . 1 . . . . . . . . 5013 1 1016 . 1 1 93 93 LEU C C 13 174.91 0.00 . 1 . . . . . . . . 5013 1 1017 . 1 1 93 93 LEU CB C 13 40.30 0.05 . 1 . . . . . . . . 5013 1 1018 . 1 1 93 93 LEU HB2 H 1 2.067 0.012 . 2 . . . . . . . . 5013 1 1019 . 1 1 93 93 LEU HB3 H 1 0.994 0.016 . 2 . . . . . . . . 5013 1 1020 . 1 1 93 93 LEU CG C 13 27.52 0.03 . 1 . . . . . . . . 5013 1 1021 . 1 1 93 93 LEU HG H 1 1.358 0.011 . 1 . . . . . . . . 5013 1 1022 . 1 1 93 93 LEU CD1 C 13 24.71 0.02 . 2 . . . . . . . . 5013 1 1023 . 1 1 93 93 LEU HD11 H 1 0.694 0.009 . 2 . . . . . . . . 5013 1 1024 . 1 1 93 93 LEU HD12 H 1 0.694 0.009 . 2 . . . . . . . . 5013 1 1025 . 1 1 93 93 LEU HD13 H 1 0.694 0.009 . 2 . . . . . . . . 5013 1 1026 . 1 1 93 93 LEU CD2 C 13 25.17 0.13 . 2 . . . . . . . . 5013 1 1027 . 1 1 93 93 LEU HD21 H 1 0.613 0.017 . 2 . . . . . . . . 5013 1 1028 . 1 1 93 93 LEU HD22 H 1 0.613 0.017 . 2 . . . . . . . . 5013 1 1029 . 1 1 93 93 LEU HD23 H 1 0.613 0.017 . 2 . . . . . . . . 5013 1 1030 . 1 1 94 94 LEU N N 15 126.04 0.05 . 1 . . . . . . . . 5013 1 1031 . 1 1 94 94 LEU H H 1 8.710 0.004 . 1 . . . . . . . . 5013 1 1032 . 1 1 94 94 LEU CA C 13 50.74 0.04 . 1 . . . . . . . . 5013 1 1033 . 1 1 94 94 LEU HA H 1 5.103 0.007 . 1 . . . . . . . . 5013 1 1034 . 1 1 94 94 LEU CB C 13 46.48 0.02 . 1 . . . . . . . . 5013 1 1035 . 1 1 94 94 LEU HB2 H 1 2.003 0.007 . 2 . . . . . . . . 5013 1 1036 . 1 1 94 94 LEU HB3 H 1 1.096 0.010 . 2 . . . . . . . . 5013 1 1037 . 1 1 94 94 LEU CG C 13 25.71 0.05 . 1 . . . . . . . . 5013 1 1038 . 1 1 94 94 LEU HG H 1 1.860 0.013 . 1 . . . . . . . . 5013 1 1039 . 1 1 94 94 LEU CD1 C 13 24.41 0.00 . 2 . . . . . . . . 5013 1 1040 . 1 1 94 94 LEU HD11 H 1 1.045 0.001 . 2 . . . . . . . . 5013 1 1041 . 1 1 94 94 LEU HD12 H 1 1.045 0.001 . 2 . . . . . . . . 5013 1 1042 . 1 1 94 94 LEU HD13 H 1 1.045 0.001 . 2 . . . . . . . . 5013 1 1043 . 1 1 94 94 LEU CD2 C 13 25.53 0.09 . 2 . . . . . . . . 5013 1 1044 . 1 1 94 94 LEU HD21 H 1 0.591 0.006 . 2 . . . . . . . . 5013 1 1045 . 1 1 94 94 LEU HD22 H 1 0.591 0.006 . 2 . . . . . . . . 5013 1 1046 . 1 1 94 94 LEU HD23 H 1 0.591 0.006 . 2 . . . . . . . . 5013 1 1047 . 1 1 95 95 PRO CA C 13 62.44 0.03 . 1 . . . . . . . . 5013 1 1048 . 1 1 95 95 PRO HA H 1 3.960 0.009 . 1 . . . . . . . . 5013 1 1049 . 1 1 95 95 PRO C C 13 173.53 0.00 . 1 . . . . . . . . 5013 1 1050 . 1 1 95 95 PRO CB C 13 32.94 0.01 . 1 . . . . . . . . 5013 1 1051 . 1 1 95 95 PRO HB2 H 1 1.997 0.008 . 2 . . . . . . . . 5013 1 1052 . 1 1 95 95 PRO HB3 H 1 0.379 0.014 . 2 . . . . . . . . 5013 1 1053 . 1 1 95 95 PRO CG C 13 27.26 0.00 . 1 . . . . . . . . 5013 1 1054 . 1 1 95 95 PRO HG2 H 1 1.831 0.002 . 2 . . . . . . . . 5013 1 1055 . 1 1 95 95 PRO HG3 H 1 1.561 0.003 . 2 . . . . . . . . 5013 1 1056 . 1 1 95 95 PRO CD C 13 51.46 0.03 . 1 . . . . . . . . 5013 1 1057 . 1 1 95 95 PRO HD2 H 1 4.252 0.005 . 2 . . . . . . . . 5013 1 1058 . 1 1 95 95 PRO HD3 H 1 3.477 0.006 . 2 . . . . . . . . 5013 1 1059 . 1 1 96 96 GLU N N 15 121.71 0.03 . 1 . . . . . . . . 5013 1 1060 . 1 1 96 96 GLU H H 1 8.004 0.004 . 1 . . . . . . . . 5013 1 1061 . 1 1 96 96 GLU CA C 13 53.93 0.07 . 1 . . . . . . . . 5013 1 1062 . 1 1 96 96 GLU HA H 1 4.543 0.015 . 1 . . . . . . . . 5013 1 1063 . 1 1 96 96 GLU C C 13 175.06 0.00 . 1 . . . . . . . . 5013 1 1064 . 1 1 96 96 GLU CB C 13 28.71 0.04 . 1 . . . . . . . . 5013 1 1065 . 1 1 96 96 GLU HB2 H 1 2.238 0.015 . 2 . . . . . . . . 5013 1 1066 . 1 1 96 96 GLU HB3 H 1 1.714 0.002 . 2 . . . . . . . . 5013 1 1067 . 1 1 96 96 GLU CG C 13 37.70 0.04 . 1 . . . . . . . . 5013 1 1068 . 1 1 96 96 GLU HG2 H 1 2.388 0.007 . 2 . . . . . . . . 5013 1 1069 . 1 1 96 96 GLU HG3 H 1 2.271 0.013 . 2 . . . . . . . . 5013 1 1070 . 1 1 97 97 TYR N N 15 121.93 0.03 . 1 . . . . . . . . 5013 1 1071 . 1 1 97 97 TYR H H 1 7.413 0.007 . 1 . . . . . . . . 5013 1 1072 . 1 1 97 97 TYR CA C 13 58.68 0.08 . 1 . . . . . . . . 5013 1 1073 . 1 1 97 97 TYR HA H 1 5.071 0.019 . 1 . . . . . . . . 5013 1 1074 . 1 1 97 97 TYR C C 13 176.53 0.00 . 1 . . . . . . . . 5013 1 1075 . 1 1 97 97 TYR CB C 13 40.43 0.06 . 1 . . . . . . . . 5013 1 1076 . 1 1 97 97 TYR HB2 H 1 3.205 0.016 . 2 . . . . . . . . 5013 1 1077 . 1 1 97 97 TYR HB3 H 1 2.628 0.017 . 2 . . . . . . . . 5013 1 1078 . 1 1 97 97 TYR CD1 C 13 132.55 0.10 . 1 . . . . . . . . 5013 1 1079 . 1 1 97 97 TYR HD1 H 1 7.440 0.007 . 1 . . . . . . . . 5013 1 1080 . 1 1 97 97 TYR CE1 C 13 118.30 0.06 . 1 . . . . . . . . 5013 1 1081 . 1 1 97 97 TYR HE1 H 1 6.972 0.006 . 1 . . . . . . . . 5013 1 1082 . 1 1 98 98 SER N N 15 110.22 0.05 . 1 . . . . . . . . 5013 1 1083 . 1 1 98 98 SER H H 1 7.803 0.006 . 1 . . . . . . . . 5013 1 1084 . 1 1 98 98 SER CA C 13 59.33 0.05 . 1 . . . . . . . . 5013 1 1085 . 1 1 98 98 SER HA H 1 4.316 0.001 . 1 . . . . . . . . 5013 1 1086 . 1 1 98 98 SER C C 13 174.13 0.00 . 1 . . . . . . . . 5013 1 1087 . 1 1 98 98 SER CB C 13 64.22 0.06 . 1 . . . . . . . . 5013 1 1088 . 1 1 98 98 SER HB2 H 1 4.196 0.015 . 2 . . . . . . . . 5013 1 1089 . 1 1 98 98 SER HB3 H 1 3.893 0.013 . 2 . . . . . . . . 5013 1 1090 . 1 1 99 99 SER N N 15 111.83 0.03 . 1 . . . . . . . . 5013 1 1091 . 1 1 99 99 SER H H 1 7.219 0.007 . 1 . . . . . . . . 5013 1 1092 . 1 1 99 99 SER CA C 13 57.32 0.10 . 1 . . . . . . . . 5013 1 1093 . 1 1 99 99 SER HA H 1 4.944 0.012 . 1 . . . . . . . . 5013 1 1094 . 1 1 99 99 SER C C 13 173.96 0.00 . 1 . . . . . . . . 5013 1 1095 . 1 1 99 99 SER CB C 13 66.69 0.07 . 1 . . . . . . . . 5013 1 1096 . 1 1 99 99 SER HB2 H 1 4.297 0.017 . 2 . . . . . . . . 5013 1 1097 . 1 1 99 99 SER HB3 H 1 4.088 0.017 . 2 . . . . . . . . 5013 1 1098 . 1 1 100 100 LYS N N 15 122.95 0.02 . 1 . . . . . . . . 5013 1 1099 . 1 1 100 100 LYS H H 1 9.120 0.004 . 1 . . . . . . . . 5013 1 1100 . 1 1 100 100 LYS CA C 13 59.28 0.05 . 1 . . . . . . . . 5013 1 1101 . 1 1 100 100 LYS HA H 1 3.927 0.015 . 1 . . . . . . . . 5013 1 1102 . 1 1 100 100 LYS C C 13 177.60 0.00 . 1 . . . . . . . . 5013 1 1103 . 1 1 100 100 LYS CB C 13 32.30 0.02 . 1 . . . . . . . . 5013 1 1104 . 1 1 100 100 LYS HB2 H 1 1.934 0.005 . 2 . . . . . . . . 5013 1 1105 . 1 1 100 100 LYS HB3 H 1 1.804 0.002 . 2 . . . . . . . . 5013 1 1106 . 1 1 100 100 LYS CG C 13 25.12 0.00 . 1 . . . . . . . . 5013 1 1107 . 1 1 100 100 LYS HG2 H 1 1.401 0.001 . 2 . . . . . . . . 5013 1 1108 . 1 1 100 100 LYS HG3 H 1 1.266 0.002 . 2 . . . . . . . . 5013 1 1109 . 1 1 100 100 LYS CD C 13 29.92 0.00 . 1 . . . . . . . . 5013 1 1110 . 1 1 100 100 LYS CE C 13 42.12 0.02 . 1 . . . . . . . . 5013 1 1111 . 1 1 100 100 LYS HD2 H 1 1.717 0.001 . 1 . . . . . . . . 5013 1 1112 . 1 1 100 100 LYS HE2 H 1 2.952 0.011 . 1 . . . . . . . . 5013 1 1113 . 1 1 101 101 GLU N N 15 119.22 0.04 . 1 . . . . . . . . 5013 1 1114 . 1 1 101 101 GLU H H 1 8.652 0.005 . 1 . . . . . . . . 5013 1 1115 . 1 1 101 101 GLU CA C 13 60.11 0.01 . 1 . . . . . . . . 5013 1 1116 . 1 1 101 101 GLU C C 13 179.02 0.00 . 1 . . . . . . . . 5013 1 1117 . 1 1 101 101 GLU CB C 13 28.61 0.01 . 1 . . . . . . . . 5013 1 1118 . 1 1 102 102 LYS N N 15 122.01 0.04 . 1 . . . . . . . . 5013 1 1119 . 1 1 102 102 LYS H H 1 7.822 0.004 . 1 . . . . . . . . 5013 1 1120 . 1 1 102 102 LYS CA C 13 59.03 0.05 . 1 . . . . . . . . 5013 1 1121 . 1 1 102 102 LYS HA H 1 4.126 0.009 . 1 . . . . . . . . 5013 1 1122 . 1 1 102 102 LYS C C 13 177.10 0.00 . 1 . . . . . . . . 5013 1 1123 . 1 1 102 102 LYS CB C 13 33.64 0.03 . 1 . . . . . . . . 5013 1 1124 . 1 1 102 102 LYS HB2 H 1 1.863 0.010 . 2 . . . . . . . . 5013 1 1125 . 1 1 102 102 LYS HB3 H 1 1.761 0.008 . 2 . . . . . . . . 5013 1 1126 . 1 1 102 102 LYS CG C 13 25.37 0.07 . 1 . . . . . . . . 5013 1 1127 . 1 1 102 102 LYS HG2 H 1 1.402 0.001 . 2 . . . . . . . . 5013 1 1128 . 1 1 102 102 LYS HG3 H 1 1.115 0.015 . 2 . . . . . . . . 5013 1 1129 . 1 1 102 102 LYS CE C 13 42.12 0.00 . 1 . . . . . . . . 5013 1 1130 . 1 1 102 102 LYS HE2 H 1 3.158 0.001 . 2 . . . . . . . . 5013 1 1131 . 1 1 102 102 LYS HE3 H 1 3.088 0.001 . 2 . . . . . . . . 5013 1 1132 . 1 1 103 103 LEU N N 15 118.83 0.04 . 1 . . . . . . . . 5013 1 1133 . 1 1 103 103 LEU H H 1 7.876 0.003 . 1 . . . . . . . . 5013 1 1134 . 1 1 103 103 LEU CA C 13 58.53 0.04 . 1 . . . . . . . . 5013 1 1135 . 1 1 103 103 LEU HA H 1 3.808 0.008 . 1 . . . . . . . . 5013 1 1136 . 1 1 103 103 LEU C C 13 177.06 0.00 . 1 . . . . . . . . 5013 1 1137 . 1 1 103 103 LEU CB C 13 41.02 0.04 . 1 . . . . . . . . 5013 1 1138 . 1 1 103 103 LEU HB2 H 1 2.209 0.011 . 2 . . . . . . . . 5013 1 1139 . 1 1 103 103 LEU HB3 H 1 1.743 0.007 . 2 . . . . . . . . 5013 1 1140 . 1 1 103 103 LEU CG C 13 28.10 0.01 . 1 . . . . . . . . 5013 1 1141 . 1 1 103 103 LEU HG H 1 1.675 0.007 . 1 . . . . . . . . 5013 1 1142 . 1 1 103 103 LEU CD1 C 13 25.74 0.08 . 1 . . . . . . . . 5013 1 1143 . 1 1 103 103 LEU HD11 H 1 1.379 0.017 . 1 . . . . . . . . 5013 1 1144 . 1 1 103 103 LEU HD12 H 1 1.379 0.017 . 1 . . . . . . . . 5013 1 1145 . 1 1 103 103 LEU HD13 H 1 1.379 0.017 . 1 . . . . . . . . 5013 1 1146 . 1 1 103 103 LEU CD2 C 13 26.65 0.17 . 1 . . . . . . . . 5013 1 1147 . 1 1 103 103 LEU HD21 H 1 1.113 0.019 . 1 . . . . . . . . 5013 1 1148 . 1 1 103 103 LEU HD22 H 1 1.113 0.019 . 1 . . . . . . . . 5013 1 1149 . 1 1 103 103 LEU HD23 H 1 1.113 0.019 . 1 . . . . . . . . 5013 1 1150 . 1 1 104 104 LYS N N 15 117.28 0.03 . 1 . . . . . . . . 5013 1 1151 . 1 1 104 104 LYS H H 1 8.394 0.004 . 1 . . . . . . . . 5013 1 1152 . 1 1 104 104 LYS CA C 13 60.91 0.03 . 1 . . . . . . . . 5013 1 1153 . 1 1 104 104 LYS HA H 1 3.695 0.014 . 1 . . . . . . . . 5013 1 1154 . 1 1 104 104 LYS C C 13 176.74 0.00 . 1 . . . . . . . . 5013 1 1155 . 1 1 104 104 LYS CB C 13 32.47 0.01 . 1 . . . . . . . . 5013 1 1156 . 1 1 104 104 LYS HB2 H 1 1.993 0.005 . 2 . . . . . . . . 5013 1 1157 . 1 1 104 104 LYS HB3 H 1 1.783 0.000 . 2 . . . . . . . . 5013 1 1158 . 1 1 104 104 LYS CG C 13 25.28 0.01 . 1 . . . . . . . . 5013 1 1159 . 1 1 104 104 LYS HG2 H 1 1.505 0.005 . 2 . . . . . . . . 5013 1 1160 . 1 1 104 104 LYS HG3 H 1 1.252 0.000 . 2 . . . . . . . . 5013 1 1161 . 1 1 104 104 LYS CD C 13 29.91 0.00 . 1 . . . . . . . . 5013 1 1162 . 1 1 104 104 LYS CE C 13 42.25 0.00 . 1 . . . . . . . . 5013 1 1163 . 1 1 104 104 LYS HD2 H 1 1.731 0.000 . 1 . . . . . . . . 5013 1 1164 . 1 1 104 104 LYS HE2 H 1 2.993 0.002 . 1 . . . . . . . . 5013 1 1165 . 1 1 105 105 GLU N N 15 117.94 0.04 . 1 . . . . . . . . 5013 1 1166 . 1 1 105 105 GLU H H 1 7.722 0.005 . 1 . . . . . . . . 5013 1 1167 . 1 1 105 105 GLU CA C 13 60.11 0.00 . 1 . . . . . . . . 5013 1 1168 . 1 1 105 105 GLU HA H 1 3.941 0.004 . 1 . . . . . . . . 5013 1 1169 . 1 1 105 105 GLU C C 13 179.77 0.00 . 1 . . . . . . . . 5013 1 1170 . 1 1 105 105 GLU CB C 13 29.19 0.03 . 1 . . . . . . . . 5013 1 1171 . 1 1 105 105 GLU HB2 H 1 2.377 0.007 . 2 . . . . . . . . 5013 1 1172 . 1 1 105 105 GLU HB3 H 1 2.065 0.017 . 2 . . . . . . . . 5013 1 1173 . 1 1 105 105 GLU CG C 13 35.49 0.03 . 1 . . . . . . . . 5013 1 1174 . 1 1 105 105 GLU HG2 H 1 2.486 0.012 . 2 . . . . . . . . 5013 1 1175 . 1 1 105 105 GLU HG3 H 1 2.210 0.013 . 2 . . . . . . . . 5013 1 1176 . 1 1 106 106 ARG N N 15 118.39 0.07 . 1 . . . . . . . . 5013 1 1177 . 1 1 106 106 ARG H H 1 8.585 0.004 . 1 . . . . . . . . 5013 1 1178 . 1 1 106 106 ARG CA C 13 58.44 0.00 . 1 . . . . . . . . 5013 1 1179 . 1 1 106 106 ARG HA H 1 4.049 0.001 . 1 . . . . . . . . 5013 1 1180 . 1 1 106 106 ARG C C 13 178.79 0.00 . 1 . . . . . . . . 5013 1 1181 . 1 1 106 106 ARG CB C 13 32.65 0.01 . 1 . . . . . . . . 5013 1 1182 . 1 1 106 106 ARG HB2 H 1 1.811 0.002 . 2 . . . . . . . . 5013 1 1183 . 1 1 106 106 ARG HB3 H 1 1.723 0.002 . 2 . . . . . . . . 5013 1 1184 . 1 1 106 106 ARG CD C 13 44.49 0.04 . 1 . . . . . . . . 5013 1 1185 . 1 1 106 106 ARG HD2 H 1 3.026 0.006 . 2 . . . . . . . . 5013 1 1186 . 1 1 106 106 ARG HD3 H 1 2.945 0.010 . 2 . . . . . . . . 5013 1 1187 . 1 1 107 107 LEU N N 15 119.02 0.04 . 1 . . . . . . . . 5013 1 1188 . 1 1 107 107 LEU H H 1 8.739 0.004 . 1 . . . . . . . . 5013 1 1189 . 1 1 107 107 LEU CA C 13 58.28 0.00 . 1 . . . . . . . . 5013 1 1190 . 1 1 107 107 LEU HA H 1 4.055 0.003 . 1 . . . . . . . . 5013 1 1191 . 1 1 107 107 LEU C C 13 178.52 0.00 . 1 . . . . . . . . 5013 1 1192 . 1 1 107 107 LEU CB C 13 42.82 0.04 . 1 . . . . . . . . 5013 1 1193 . 1 1 107 107 LEU HB2 H 1 2.021 0.015 . 2 . . . . . . . . 5013 1 1194 . 1 1 107 107 LEU HB3 H 1 1.734 0.005 . 2 . . . . . . . . 5013 1 1195 . 1 1 107 107 LEU CG C 13 27.38 0.00 . 1 . . . . . . . . 5013 1 1196 . 1 1 107 107 LEU HG H 1 1.810 0.003 . 1 . . . . . . . . 5013 1 1197 . 1 1 107 107 LEU CD1 C 13 23.56 0.02 . 2 . . . . . . . . 5013 1 1198 . 1 1 107 107 LEU HD11 H 1 1.101 0.001 . 2 . . . . . . . . 5013 1 1199 . 1 1 107 107 LEU HD12 H 1 1.101 0.001 . 2 . . . . . . . . 5013 1 1200 . 1 1 107 107 LEU HD13 H 1 1.101 0.001 . 2 . . . . . . . . 5013 1 1201 . 1 1 107 107 LEU CD2 C 13 26.26 0.10 . 2 . . . . . . . . 5013 1 1202 . 1 1 107 107 LEU HD21 H 1 0.946 0.009 . 2 . . . . . . . . 5013 1 1203 . 1 1 107 107 LEU HD22 H 1 0.946 0.009 . 2 . . . . . . . . 5013 1 1204 . 1 1 107 107 LEU HD23 H 1 0.946 0.009 . 2 . . . . . . . . 5013 1 1205 . 1 1 108 108 LEU N N 15 117.03 0.06 . 1 . . . . . . . . 5013 1 1206 . 1 1 108 108 LEU H H 1 8.583 0.005 . 1 . . . . . . . . 5013 1 1207 . 1 1 108 108 LEU CA C 13 57.81 0.06 . 1 . . . . . . . . 5013 1 1208 . 1 1 108 108 LEU HA H 1 3.998 0.005 . 1 . . . . . . . . 5013 1 1209 . 1 1 108 108 LEU C C 13 180.24 0.00 . 1 . . . . . . . . 5013 1 1210 . 1 1 108 108 LEU CB C 13 41.25 0.03 . 1 . . . . . . . . 5013 1 1211 . 1 1 108 108 LEU HB2 H 1 1.986 0.001 . 2 . . . . . . . . 5013 1 1212 . 1 1 108 108 LEU HB3 H 1 1.349 0.015 . 2 . . . . . . . . 5013 1 1213 . 1 1 108 108 LEU CG C 13 27.48 0.03 . 1 . . . . . . . . 5013 1 1214 . 1 1 108 108 LEU HG H 1 1.767 0.009 . 1 . . . . . . . . 5013 1 1215 . 1 1 108 108 LEU CD1 C 13 25.49 0.03 . 2 . . . . . . . . 5013 1 1216 . 1 1 108 108 LEU HD11 H 1 0.848 0.007 . 2 . . . . . . . . 5013 1 1217 . 1 1 108 108 LEU HD12 H 1 0.848 0.007 . 2 . . . . . . . . 5013 1 1218 . 1 1 108 108 LEU HD13 H 1 0.848 0.007 . 2 . . . . . . . . 5013 1 1219 . 1 1 108 108 LEU CD2 C 13 23.28 0.04 . 2 . . . . . . . . 5013 1 1220 . 1 1 108 108 LEU HD21 H 1 0.576 0.013 . 2 . . . . . . . . 5013 1 1221 . 1 1 108 108 LEU HD22 H 1 0.576 0.013 . 2 . . . . . . . . 5013 1 1222 . 1 1 108 108 LEU HD23 H 1 0.576 0.013 . 2 . . . . . . . . 5013 1 1223 . 1 1 109 109 LYS N N 15 120.58 0.06 . 1 . . . . . . . . 5013 1 1224 . 1 1 109 109 LYS H H 1 7.932 0.004 . 1 . . . . . . . . 5013 1 1225 . 1 1 109 109 LYS CA C 13 59.06 0.04 . 1 . . . . . . . . 5013 1 1226 . 1 1 109 109 LYS HA H 1 3.963 0.006 . 1 . . . . . . . . 5013 1 1227 . 1 1 109 109 LYS C C 13 178.28 0.00 . 1 . . . . . . . . 5013 1 1228 . 1 1 109 109 LYS CB C 13 31.86 0.01 . 1 . . . . . . . . 5013 1 1229 . 1 1 109 109 LYS HB2 H 1 1.975 0.003 . 2 . . . . . . . . 5013 1 1230 . 1 1 109 109 LYS HB3 H 1 1.929 0.002 . 2 . . . . . . . . 5013 1 1231 . 1 1 109 109 LYS CG C 13 25.29 0.00 . 1 . . . . . . . . 5013 1 1232 . 1 1 109 109 LYS CD C 13 28.91 0.00 . 1 . . . . . . . . 5013 1 1233 . 1 1 109 109 LYS CE C 13 42.12 0.00 . 1 . . . . . . . . 5013 1 1234 . 1 1 109 109 LYS HG3 H 1 1.509 0.002 . 1 . . . . . . . . 5013 1 1235 . 1 1 109 109 LYS HD2 H 1 1.713 0.001 . 1 . . . . . . . . 5013 1 1236 . 1 1 109 109 LYS HE2 H 1 2.983 0.007 . 1 . . . . . . . . 5013 1 1237 . 1 1 110 110 ALA N N 15 119.72 0.06 . 1 . . . . . . . . 5013 1 1238 . 1 1 110 110 ALA H H 1 7.914 0.007 . 1 . . . . . . . . 5013 1 1239 . 1 1 110 110 ALA CA C 13 54.77 0.08 . 1 . . . . . . . . 5013 1 1240 . 1 1 110 110 ALA HA H 1 4.096 0.009 . 1 . . . . . . . . 5013 1 1241 . 1 1 110 110 ALA C C 13 179.73 0.00 . 1 . . . . . . . . 5013 1 1242 . 1 1 110 110 ALA CB C 13 18.57 0.03 . 1 . . . . . . . . 5013 1 1243 . 1 1 110 110 ALA HB1 H 1 1.315 0.016 . 1 . . . . . . . . 5013 1 1244 . 1 1 110 110 ALA HB2 H 1 1.315 0.016 . 1 . . . . . . . . 5013 1 1245 . 1 1 110 110 ALA HB3 H 1 1.315 0.016 . 1 . . . . . . . . 5013 1 1246 . 1 1 111 111 ILE N N 15 107.10 0.04 . 1 . . . . . . . . 5013 1 1247 . 1 1 111 111 ILE H H 1 7.796 0.004 . 1 . . . . . . . . 5013 1 1248 . 1 1 111 111 ILE CA C 13 63.36 0.02 . 1 . . . . . . . . 5013 1 1249 . 1 1 111 111 ILE HA H 1 3.893 0.015 . 1 . . . . . . . . 5013 1 1250 . 1 1 111 111 ILE C C 13 176.55 0.00 . 1 . . . . . . . . 5013 1 1251 . 1 1 111 111 ILE CB C 13 37.01 0.04 . 1 . . . . . . . . 5013 1 1252 . 1 1 111 111 ILE HB H 1 1.881 0.011 . 1 . . . . . . . . 5013 1 1253 . 1 1 111 111 ILE CG1 C 13 25.07 0.06 . 1 . . . . . . . . 5013 1 1254 . 1 1 111 111 ILE HG12 H 1 1.654 0.011 . 2 . . . . . . . . 5013 1 1255 . 1 1 111 111 ILE HG13 H 1 1.257 0.004 . 2 . . . . . . . . 5013 1 1256 . 1 1 111 111 ILE CG2 C 13 16.19 0.07 . 1 . . . . . . . . 5013 1 1257 . 1 1 111 111 ILE HG21 H 1 0.747 0.011 . 1 . . . . . . . . 5013 1 1258 . 1 1 111 111 ILE HG22 H 1 0.747 0.011 . 1 . . . . . . . . 5013 1 1259 . 1 1 111 111 ILE HG23 H 1 0.747 0.011 . 1 . . . . . . . . 5013 1 1260 . 1 1 111 111 ILE CD1 C 13 14.38 0.09 . 1 . . . . . . . . 5013 1 1261 . 1 1 111 111 ILE HD11 H 1 0.702 0.009 . 1 . . . . . . . . 5013 1 1262 . 1 1 111 111 ILE HD12 H 1 0.702 0.009 . 1 . . . . . . . . 5013 1 1263 . 1 1 111 111 ILE HD13 H 1 0.702 0.009 . 1 . . . . . . . . 5013 1 1264 . 1 1 112 112 THR N N 15 113.38 0.03 . 1 . . . . . . . . 5013 1 1265 . 1 1 112 112 THR H H 1 7.434 0.006 . 1 . . . . . . . . 5013 1 1266 . 1 1 112 112 THR CA C 13 63.95 0.05 . 1 . . . . . . . . 5013 1 1267 . 1 1 112 112 THR HA H 1 4.171 0.017 . 1 . . . . . . . . 5013 1 1268 . 1 1 112 112 THR C C 13 175.32 0.00 . 1 . . . . . . . . 5013 1 1269 . 1 1 112 112 THR CB C 13 69.22 0.03 . 1 . . . . . . . . 5013 1 1270 . 1 1 112 112 THR HB H 1 4.172 0.012 . 1 . . . . . . . . 5013 1 1271 . 1 1 112 112 THR CG2 C 13 21.14 0.02 . 1 . . . . . . . . 5013 1 1272 . 1 1 112 112 THR HG21 H 1 1.091 0.009 . 1 . . . . . . . . 5013 1 1273 . 1 1 112 112 THR HG22 H 1 1.091 0.009 . 1 . . . . . . . . 5013 1 1274 . 1 1 112 112 THR HG23 H 1 1.091 0.009 . 1 . . . . . . . . 5013 1 1275 . 1 1 113 113 TYR N N 15 122.02 0.03 . 1 . . . . . . . . 5013 1 1276 . 1 1 113 113 TYR H H 1 7.618 0.004 . 1 . . . . . . . . 5013 1 1277 . 1 1 113 113 TYR CA C 13 58.89 0.10 . 1 . . . . . . . . 5013 1 1278 . 1 1 113 113 TYR HA H 1 4.474 0.012 . 1 . . . . . . . . 5013 1 1279 . 1 1 113 113 TYR C C 13 176.17 0.00 . 1 . . . . . . . . 5013 1 1280 . 1 1 113 113 TYR CB C 13 37.93 0.10 . 1 . . . . . . . . 5013 1 1281 . 1 1 113 113 TYR HB2 H 1 3.128 0.013 . 1 . . . . . . . . 5013 1 1282 . 1 1 113 113 TYR CD1 C 13 133.08 0.12 . 1 . . . . . . . . 5013 1 1283 . 1 1 113 113 TYR HD1 H 1 7.205 0.004 . 1 . . . . . . . . 5013 1 1284 . 1 1 113 113 TYR CE1 C 13 118.09 0.07 . 1 . . . . . . . . 5013 1 1285 . 1 1 113 113 TYR HE1 H 1 6.859 0.009 . 1 . . . . . . . . 5013 1 1286 . 1 1 114 114 ALA N N 15 123.34 0.04 . 1 . . . . . . . . 5013 1 1287 . 1 1 114 114 ALA H H 1 7.867 0.005 . 1 . . . . . . . . 5013 1 1288 . 1 1 114 114 ALA CA C 13 52.96 0.05 . 1 . . . . . . . . 5013 1 1289 . 1 1 114 114 ALA HA H 1 4.257 0.014 . 1 . . . . . . . . 5013 1 1290 . 1 1 114 114 ALA C C 13 177.61 0.00 . 1 . . . . . . . . 5013 1 1291 . 1 1 114 114 ALA CB C 13 19.10 0.05 . 1 . . . . . . . . 5013 1 1292 . 1 1 114 114 ALA HB1 H 1 1.499 0.011 . 1 . . . . . . . . 5013 1 1293 . 1 1 114 114 ALA HB2 H 1 1.499 0.011 . 1 . . . . . . . . 5013 1 1294 . 1 1 114 114 ALA HB3 H 1 1.499 0.011 . 1 . . . . . . . . 5013 1 1295 . 1 1 115 115 LYS N N 15 119.15 0.04 . 1 . . . . . . . . 5013 1 1296 . 1 1 115 115 LYS H H 1 7.990 0.004 . 1 . . . . . . . . 5013 1 1297 . 1 1 115 115 LYS CA C 13 56.62 0.01 . 1 . . . . . . . . 5013 1 1298 . 1 1 115 115 LYS HA H 1 4.286 0.002 . 1 . . . . . . . . 5013 1 1299 . 1 1 115 115 LYS C C 13 177.12 0.00 . 1 . . . . . . . . 5013 1 1300 . 1 1 115 115 LYS CB C 13 32.82 0.03 . 1 . . . . . . . . 5013 1 1301 . 1 1 115 115 LYS HB2 H 1 1.893 0.005 . 2 . . . . . . . . 5013 1 1302 . 1 1 115 115 LYS HB3 H 1 1.812 0.003 . 2 . . . . . . . . 5013 1 1303 . 1 1 115 115 LYS CG C 13 24.71 0.01 . 1 . . . . . . . . 5013 1 1304 . 1 1 115 115 LYS CD C 13 29.05 0.00 . 1 . . . . . . . . 5013 1 1305 . 1 1 115 115 LYS CE C 13 42.15 0.00 . 1 . . . . . . . . 5013 1 1306 . 1 1 115 115 LYS HG3 H 1 1.482 0.007 . 1 . . . . . . . . 5013 1 1307 . 1 1 115 115 LYS HD2 H 1 1.730 0.002 . 1 . . . . . . . . 5013 1 1308 . 1 1 115 115 LYS HE2 H 1 3.030 0.002 . 1 . . . . . . . . 5013 1 1309 . 1 1 116 116 GLY N N 15 108.87 0.03 . 1 . . . . . . . . 5013 1 1310 . 1 1 116 116 GLY H H 1 8.168 0.003 . 1 . . . . . . . . 5013 1 1311 . 1 1 116 116 GLY CA C 13 45.13 0.05 . 1 . . . . . . . . 5013 1 1312 . 1 1 116 116 GLY HA2 H 1 3.954 0.001 . 2 . . . . . . . . 5013 1 1313 . 1 1 116 116 GLY HA3 H 1 3.901 0.003 . 2 . . . . . . . . 5013 1 1314 . 1 1 116 116 GLY C C 13 174.01 0.00 . 1 . . . . . . . . 5013 1 1315 . 1 1 117 117 PHE N N 15 119.78 0.04 . 1 . . . . . . . . 5013 1 1316 . 1 1 117 117 PHE H H 1 8.124 0.006 . 1 . . . . . . . . 5013 1 1317 . 1 1 117 117 PHE CA C 13 58.05 0.06 . 1 . . . . . . . . 5013 1 1318 . 1 1 117 117 PHE HA H 1 4.612 0.013 . 1 . . . . . . . . 5013 1 1319 . 1 1 117 117 PHE C C 13 176.37 0.00 . 1 . . . . . . . . 5013 1 1320 . 1 1 117 117 PHE CB C 13 39.40 0.03 . 1 . . . . . . . . 5013 1 1321 . 1 1 117 117 PHE HB2 H 1 3.212 0.010 . 2 . . . . . . . . 5013 1 1322 . 1 1 117 117 PHE HB3 H 1 3.062 0.012 . 2 . . . . . . . . 5013 1 1323 . 1 1 117 117 PHE CD1 C 13 131.87 0.12 . 1 . . . . . . . . 5013 1 1324 . 1 1 117 117 PHE HD1 H 1 7.255 0.003 . 1 . . . . . . . . 5013 1 1325 . 1 1 118 118 GLY N N 15 110.45 0.01 . 1 . . . . . . . . 5013 1 1326 . 1 1 118 118 GLY H H 1 8.386 0.005 . 1 . . . . . . . . 5013 1 1327 . 1 1 118 118 GLY CA C 13 45.37 0.04 . 1 . . . . . . . . 5013 1 1328 . 1 1 118 118 GLY HA2 H 1 3.950 0.009 . 2 . . . . . . . . 5013 1 1329 . 1 1 118 118 GLY HA3 H 1 3.896 0.001 . 2 . . . . . . . . 5013 1 1330 . 1 1 118 118 GLY C C 13 173.88 0.00 . 1 . . . . . . . . 5013 1 1331 . 1 1 119 119 MET N N 15 119.79 0.03 . 1 . . . . . . . . 5013 1 1332 . 1 1 119 119 MET H H 1 8.058 0.004 . 1 . . . . . . . . 5013 1 1333 . 1 1 119 119 MET CA C 13 55.37 0.03 . 1 . . . . . . . . 5013 1 1334 . 1 1 119 119 MET HA H 1 4.526 0.014 . 1 . . . . . . . . 5013 1 1335 . 1 1 119 119 MET C C 13 175.20 0.00 . 1 . . . . . . . . 5013 1 1336 . 1 1 119 119 MET CB C 13 33.04 0.13 . 1 . . . . . . . . 5013 1 1337 . 1 1 119 119 MET HB2 H 1 2.159 0.016 . 2 . . . . . . . . 5013 1 1338 . 1 1 119 119 MET HB3 H 1 2.012 0.016 . 2 . . . . . . . . 5013 1 1339 . 1 1 119 119 MET CG C 13 32.06 0.01 . 1 . . . . . . . . 5013 1 1340 . 1 1 119 119 MET HG2 H 1 2.621 0.011 . 2 . . . . . . . . 5013 1 1341 . 1 1 119 119 MET HG3 H 1 2.553 0.008 . 2 . . . . . . . . 5013 1 1342 . 1 1 119 119 MET CE C 13 17.01 0.01 . 1 . . . . . . . . 5013 1 1343 . 1 1 119 119 MET HE1 H 1 2.126 0.006 . 1 . . . . . . . . 5013 1 1344 . 1 1 119 119 MET HE2 H 1 2.126 0.006 . 1 . . . . . . . . 5013 1 1345 . 1 1 119 119 MET HE3 H 1 2.126 0.006 . 1 . . . . . . . . 5013 1 1346 . 1 1 120 120 LEU N N 15 128.77 0.02 . 1 . . . . . . . . 5013 1 1347 . 1 1 120 120 LEU H H 1 7.867 0.005 . 1 . . . . . . . . 5013 1 1348 . 1 1 120 120 LEU CA C 13 56.73 0.02 . 1 . . . . . . . . 5013 1 1349 . 1 1 120 120 LEU HA H 1 4.237 0.018 . 1 . . . . . . . . 5013 1 1350 . 1 1 120 120 LEU CB C 13 43.35 0.02 . 1 . . . . . . . . 5013 1 1351 . 1 1 120 120 LEU CG C 13 27.25 0.00 . 1 . . . . . . . . 5013 1 1352 . 1 1 120 120 LEU HG H 1 1.609 0.007 . 1 . . . . . . . . 5013 1 1353 . 1 1 120 120 LEU HB2 H 1 1.624 0.016 . 1 . . . . . . . . 5013 1 1354 . 1 1 120 120 LEU CD1 C 13 23.58 0.01 . 1 . . . . . . . . 5013 1 1355 . 1 1 120 120 LEU HD11 H 1 0.902 0.017 . 1 . . . . . . . . 5013 1 1356 . 1 1 120 120 LEU HD12 H 1 0.902 0.017 . 1 . . . . . . . . 5013 1 1357 . 1 1 120 120 LEU HD13 H 1 0.902 0.017 . 1 . . . . . . . . 5013 1 stop_ save_