data_6433 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6433 _Entry.Title ; Sequence specific 1HN, 13C and 15N resonance assignments of a novel calcium binding protein from Entamoeba histolytica ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-12-16 _Entry.Accession_date 2004-12-16 _Entry.Last_release_date 2005-07-26 _Entry.Original_release_date 2005-07-26 _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 Ritu Bansal-Mutalik . . . 6433 2 Sourajit Mustafi . Mitra . 6433 3 Alok Bhattacharya . . . 6433 4 'V. R.' Chary . Kandala . 6433 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6433 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 373 6433 '15N chemical shifts' 123 6433 '1H chemical shifts' 577 6433 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 . . 2005-07-26 2004-12-16 original author . 6433 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6433 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15929013 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequence specific 1HN, 13C and 15N resonance assignments of a novel calcium-binding protein from Entamoeba histolytica. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 4 _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 379 _Citation.Page_last 380 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ritu Bansal-Mutalik . . . 6433 1 2 Sourajit Mustafi . Mitra . 6433 1 3 Alok Bhattacharya . . . 6433 1 4 Kandala Chary . V.R. . 6433 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_EhCaBP2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_EhCaBP2 _Assembly.Entry_ID 6433 _Assembly.ID 1 _Assembly.Name 'Entamoeba histolytica calcium binding protein 2' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 6433 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 EhCaBP2 1 $EhCaBP2 . . . native . . . . . 6433 1 2 'CALCIUM (II) ION' 2 $CA . . . native . . . . . 6433 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Entamoeba histolytica calcium binding protein 2' system 6433 1 EhCaBP2 abbreviation 6433 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'calcium binding' 6433 1 'signal transduction' 6433 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EhCaBP2 _Entity.Sf_category entity _Entity.Sf_framecode EhCaBP2 _Entity.Entry_ID 6433 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Entamoeba histolytica calcium binding 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 ; MAEALFKQLDANGDGSVSYE EVKAFVSSKRPIKNEQLLQL IFKAIDIDGNGEIDLAEFTK FAAAVKEQDLSDEKVGLKIL YKLMDADGDGKLTKEEVTTF FKKFGYEKVVDQIMKADANG DGYITLEEFLAFNL ; _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 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14944 _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 2JNX . "Nmr Derived Solution Structure Of An Ef-Hand Calcium Binding Protein From Entamoeba Histolytica" . . . . . 100.00 134 100.00 100.00 5.65e-87 . . . . 6433 1 2 no DBJ BAA22013 . "calmodulin [Entamoeba histolytica]" . . . . . 64.18 86 98.84 98.84 6.86e-50 . . . . 6433 1 3 no GB AAR97975 . "calcium binding protein 2 [Entamoeba histolytica]" . . . . . 100.00 134 100.00 100.00 5.65e-87 . . . . 6433 1 4 no GB EAL51694 . "calmodulin, putative [Entamoeba histolytica HM-1:IMSS]" . . . . . 100.00 134 100.00 100.00 5.65e-87 . . . . 6433 1 5 no GB EDR27146 . "calcium-binding protein, putative [Entamoeba dispar SAW760]" . . . . . 100.00 134 97.76 99.25 2.47e-85 . . . . 6433 1 6 no GB EKE36904 . "calmodulin, putative [Entamoeba nuttalli P19]" . . . . . 100.00 134 97.01 99.25 9.99e-85 . . . . 6433 1 7 no GB EMD43571 . "EF-Hand calcium binding protein, putative [Entamoeba histolytica KU27]" . . . . . 100.00 134 100.00 100.00 5.65e-87 . . . . 6433 1 8 no REF XP_001736602 . "calcium-binding protein [Entamoeba dispar SAW760]" . . . . . 100.00 134 97.76 99.25 2.47e-85 . . . . 6433 1 9 no REF XP_008860769 . "calmodulin, putative [Entamoeba nuttalli P19]" . . . . . 100.00 134 97.01 99.25 9.99e-85 . . . . 6433 1 10 no REF XP_657080 . "calmodulin [Entamoeba histolytica HM-1:IMSS]" . . . . . 100.00 134 100.00 100.00 5.65e-87 . . . . 6433 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Entamoeba histolytica calcium binding protein' common 6433 1 EhCaBP2 abbreviation 6433 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 . MET . 6433 1 2 . ALA . 6433 1 3 . GLU . 6433 1 4 . ALA . 6433 1 5 . LEU . 6433 1 6 . PHE . 6433 1 7 . LYS . 6433 1 8 . GLN . 6433 1 9 . LEU . 6433 1 10 . ASP . 6433 1 11 . ALA . 6433 1 12 . ASN . 6433 1 13 . GLY . 6433 1 14 . ASP . 6433 1 15 . GLY . 6433 1 16 . SER . 6433 1 17 . VAL . 6433 1 18 . SER . 6433 1 19 . TYR . 6433 1 20 . GLU . 6433 1 21 . GLU . 6433 1 22 . VAL . 6433 1 23 . LYS . 6433 1 24 . ALA . 6433 1 25 . PHE . 6433 1 26 . VAL . 6433 1 27 . SER . 6433 1 28 . SER . 6433 1 29 . LYS . 6433 1 30 . ARG . 6433 1 31 . PRO . 6433 1 32 . ILE . 6433 1 33 . LYS . 6433 1 34 . ASN . 6433 1 35 . GLU . 6433 1 36 . GLN . 6433 1 37 . LEU . 6433 1 38 . LEU . 6433 1 39 . GLN . 6433 1 40 . LEU . 6433 1 41 . ILE . 6433 1 42 . PHE . 6433 1 43 . LYS . 6433 1 44 . ALA . 6433 1 45 . ILE . 6433 1 46 . ASP . 6433 1 47 . ILE . 6433 1 48 . ASP . 6433 1 49 . GLY . 6433 1 50 . ASN . 6433 1 51 . GLY . 6433 1 52 . GLU . 6433 1 53 . ILE . 6433 1 54 . ASP . 6433 1 55 . LEU . 6433 1 56 . ALA . 6433 1 57 . GLU . 6433 1 58 . PHE . 6433 1 59 . THR . 6433 1 60 . LYS . 6433 1 61 . PHE . 6433 1 62 . ALA . 6433 1 63 . ALA . 6433 1 64 . ALA . 6433 1 65 . VAL . 6433 1 66 . LYS . 6433 1 67 . GLU . 6433 1 68 . GLN . 6433 1 69 . ASP . 6433 1 70 . LEU . 6433 1 71 . SER . 6433 1 72 . ASP . 6433 1 73 . GLU . 6433 1 74 . LYS . 6433 1 75 . VAL . 6433 1 76 . GLY . 6433 1 77 . LEU . 6433 1 78 . LYS . 6433 1 79 . ILE . 6433 1 80 . LEU . 6433 1 81 . TYR . 6433 1 82 . LYS . 6433 1 83 . LEU . 6433 1 84 . MET . 6433 1 85 . ASP . 6433 1 86 . ALA . 6433 1 87 . ASP . 6433 1 88 . GLY . 6433 1 89 . ASP . 6433 1 90 . GLY . 6433 1 91 . LYS . 6433 1 92 . LEU . 6433 1 93 . THR . 6433 1 94 . LYS . 6433 1 95 . GLU . 6433 1 96 . GLU . 6433 1 97 . VAL . 6433 1 98 . THR . 6433 1 99 . THR . 6433 1 100 . PHE . 6433 1 101 . PHE . 6433 1 102 . LYS . 6433 1 103 . LYS . 6433 1 104 . PHE . 6433 1 105 . GLY . 6433 1 106 . TYR . 6433 1 107 . GLU . 6433 1 108 . LYS . 6433 1 109 . VAL . 6433 1 110 . VAL . 6433 1 111 . ASP . 6433 1 112 . GLN . 6433 1 113 . ILE . 6433 1 114 . MET . 6433 1 115 . LYS . 6433 1 116 . ALA . 6433 1 117 . ASP . 6433 1 118 . ALA . 6433 1 119 . ASN . 6433 1 120 . GLY . 6433 1 121 . ASP . 6433 1 122 . GLY . 6433 1 123 . TYR . 6433 1 124 . ILE . 6433 1 125 . THR . 6433 1 126 . LEU . 6433 1 127 . GLU . 6433 1 128 . GLU . 6433 1 129 . PHE . 6433 1 130 . LEU . 6433 1 131 . ALA . 6433 1 132 . PHE . 6433 1 133 . ASN . 6433 1 134 . LEU . 6433 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 . MET 1 1 6433 1 . ALA 2 2 6433 1 . GLU 3 3 6433 1 . ALA 4 4 6433 1 . LEU 5 5 6433 1 . PHE 6 6 6433 1 . LYS 7 7 6433 1 . GLN 8 8 6433 1 . LEU 9 9 6433 1 . ASP 10 10 6433 1 . ALA 11 11 6433 1 . ASN 12 12 6433 1 . GLY 13 13 6433 1 . ASP 14 14 6433 1 . GLY 15 15 6433 1 . SER 16 16 6433 1 . VAL 17 17 6433 1 . SER 18 18 6433 1 . TYR 19 19 6433 1 . GLU 20 20 6433 1 . GLU 21 21 6433 1 . VAL 22 22 6433 1 . LYS 23 23 6433 1 . ALA 24 24 6433 1 . PHE 25 25 6433 1 . VAL 26 26 6433 1 . SER 27 27 6433 1 . SER 28 28 6433 1 . LYS 29 29 6433 1 . ARG 30 30 6433 1 . PRO 31 31 6433 1 . ILE 32 32 6433 1 . LYS 33 33 6433 1 . ASN 34 34 6433 1 . GLU 35 35 6433 1 . GLN 36 36 6433 1 . LEU 37 37 6433 1 . LEU 38 38 6433 1 . GLN 39 39 6433 1 . LEU 40 40 6433 1 . ILE 41 41 6433 1 . PHE 42 42 6433 1 . LYS 43 43 6433 1 . ALA 44 44 6433 1 . ILE 45 45 6433 1 . ASP 46 46 6433 1 . ILE 47 47 6433 1 . ASP 48 48 6433 1 . GLY 49 49 6433 1 . ASN 50 50 6433 1 . GLY 51 51 6433 1 . GLU 52 52 6433 1 . ILE 53 53 6433 1 . ASP 54 54 6433 1 . LEU 55 55 6433 1 . ALA 56 56 6433 1 . GLU 57 57 6433 1 . PHE 58 58 6433 1 . THR 59 59 6433 1 . LYS 60 60 6433 1 . PHE 61 61 6433 1 . ALA 62 62 6433 1 . ALA 63 63 6433 1 . ALA 64 64 6433 1 . VAL 65 65 6433 1 . LYS 66 66 6433 1 . GLU 67 67 6433 1 . GLN 68 68 6433 1 . ASP 69 69 6433 1 . LEU 70 70 6433 1 . SER 71 71 6433 1 . ASP 72 72 6433 1 . GLU 73 73 6433 1 . LYS 74 74 6433 1 . VAL 75 75 6433 1 . GLY 76 76 6433 1 . LEU 77 77 6433 1 . LYS 78 78 6433 1 . ILE 79 79 6433 1 . LEU 80 80 6433 1 . TYR 81 81 6433 1 . LYS 82 82 6433 1 . LEU 83 83 6433 1 . MET 84 84 6433 1 . ASP 85 85 6433 1 . ALA 86 86 6433 1 . ASP 87 87 6433 1 . GLY 88 88 6433 1 . ASP 89 89 6433 1 . GLY 90 90 6433 1 . LYS 91 91 6433 1 . LEU 92 92 6433 1 . THR 93 93 6433 1 . LYS 94 94 6433 1 . GLU 95 95 6433 1 . GLU 96 96 6433 1 . VAL 97 97 6433 1 . THR 98 98 6433 1 . THR 99 99 6433 1 . PHE 100 100 6433 1 . PHE 101 101 6433 1 . LYS 102 102 6433 1 . LYS 103 103 6433 1 . PHE 104 104 6433 1 . GLY 105 105 6433 1 . TYR 106 106 6433 1 . GLU 107 107 6433 1 . LYS 108 108 6433 1 . VAL 109 109 6433 1 . VAL 110 110 6433 1 . ASP 111 111 6433 1 . GLN 112 112 6433 1 . ILE 113 113 6433 1 . MET 114 114 6433 1 . LYS 115 115 6433 1 . ALA 116 116 6433 1 . ASP 117 117 6433 1 . ALA 118 118 6433 1 . ASN 119 119 6433 1 . GLY 120 120 6433 1 . ASP 121 121 6433 1 . GLY 122 122 6433 1 . TYR 123 123 6433 1 . ILE 124 124 6433 1 . THR 125 125 6433 1 . LEU 126 126 6433 1 . GLU 127 127 6433 1 . GLU 128 128 6433 1 . PHE 129 129 6433 1 . LEU 130 130 6433 1 . ALA 131 131 6433 1 . PHE 132 132 6433 1 . ASN 133 133 6433 1 . LEU 134 134 6433 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 6433 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CA . 6433 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6433 _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 $EhCaBP2 . 562 organism . 'Escherichia coli' 'Escherichia coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6433 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 6433 _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 $EhCaBP2 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6433 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 6433 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:31:50 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Ca+2] SMILES ACDLabs 10.04 6433 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 6433 CA [Ca++] SMILES CACTVS 3.341 6433 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6433 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 6433 CA InChI=1S/Ca/q+2 InChI InChI 1.03 6433 CA BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 6433 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 6433 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6433 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6433 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6433 _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 'Entamoeba histolytica calcium binding protein' '[U-13C; U-15N]' . . 1 $EhCaBP2 . . 1.5 . . mM . . . . 6433 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 6433 _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 4.2 0.1 pH 6433 1 temperature 308 0.2 K 6433 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 6433 _Software.ID 1 _Software.Name Felix _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data processing' 6433 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 6433 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model . _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 6433 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian . . 600 . . . 6433 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 6433 _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 'N15 HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6433 1 2 CBCANH . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6433 1 3 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6433 1 4 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6433 1 5 HN(CA)CO . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6433 1 6 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6433 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 6433 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'N15 HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _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 6433 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _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 6433 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _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 6433 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _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 6433 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _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 6433 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _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 6433 _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 . . . . . . . . . 6433 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6433 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6433 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 6433 _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 . 6433 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 ALA CA C 13 54.20 0.1 . 1 . . . . . . . . 6433 1 2 . 1 1 4 4 ALA CB C 13 17.03 0.1 . 1 . . . . . . . . 6433 1 3 . 1 1 4 4 ALA C C 13 180.46 0.1 . 1 . . . . . . . . 6433 1 4 . 1 1 5 5 LEU N N 15 119.74 0.1 . 1 . . . . . . . . 6433 1 5 . 1 1 5 5 LEU H H 1 8.03 0.02 . 1 . . . . . . . . 6433 1 6 . 1 1 5 5 LEU CA C 13 56.48 0.1 . 1 . . . . . . . . 6433 1 7 . 1 1 5 5 LEU CB C 13 45.88 0.1 . 1 . . . . . . . . 6433 1 8 . 1 1 5 5 LEU C C 13 174.02 0.1 . 1 . . . . . . . . 6433 1 9 . 1 1 6 6 PHE N N 15 118.81 0.1 . 1 . . . . . . . . 6433 1 10 . 1 1 6 6 PHE H H 1 7.93 0.02 . 1 . . . . . . . . 6433 1 11 . 1 1 6 6 PHE CA C 13 54.32 0.1 . 1 . . . . . . . . 6433 1 12 . 1 1 6 6 PHE CB C 13 45.88 0.1 . 1 . . . . . . . . 6433 1 13 . 1 1 6 6 PHE C C 13 174.05 0.1 . 1 . . . . . . . . 6433 1 14 . 1 1 7 7 LYS CA C 13 58.55 0.1 . 1 . . . . . . . . 6433 1 15 . 1 1 7 7 LYS HA H 1 4.09 0.02 . 1 . . . . . . . . 6433 1 16 . 1 1 7 7 LYS CB C 13 31.90 0.1 . 1 . . . . . . . . 6433 1 17 . 1 1 7 7 LYS HB2 H 1 1.85 0.02 . 2 . . . . . . . . 6433 1 18 . 1 1 7 7 LYS HG2 H 1 1.48 0.02 . 2 . . . . . . . . 6433 1 19 . 1 1 7 7 LYS HE2 H 1 2.99 0.02 . 2 . . . . . . . . 6433 1 20 . 1 1 7 7 LYS C C 13 178.27 0.1 . 1 . . . . . . . . 6433 1 21 . 1 1 8 8 GLN N N 15 116.84 0.1 . 1 . . . . . . . . 6433 1 22 . 1 1 8 8 GLN H H 1 7.30 0.02 . 1 . . . . . . . . 6433 1 23 . 1 1 8 8 GLN CA C 13 57.23 0.1 . 1 . . . . . . . . 6433 1 24 . 1 1 8 8 GLN HA H 1 3.87 0.02 . 1 . . . . . . . . 6433 1 25 . 1 1 8 8 GLN CB C 13 28.04 0.1 . 1 . . . . . . . . 6433 1 26 . 1 1 8 8 GLN HB2 H 1 2.1 0.02 . 2 . . . . . . . . 6433 1 27 . 1 1 8 8 GLN HG2 H 1 2.47 0.02 . 2 . . . . . . . . 6433 1 28 . 1 1 8 8 GLN C C 13 177.65 0.1 . 1 . . . . . . . . 6433 1 29 . 1 1 9 9 LEU N N 15 118.68 0.1 . 1 . . . . . . . . 6433 1 30 . 1 1 9 9 LEU H H 1 7.52 0.02 . 1 . . . . . . . . 6433 1 31 . 1 1 9 9 LEU CA C 13 56.34 0.1 . 1 . . . . . . . . 6433 1 32 . 1 1 9 9 LEU HA H 1 3.57 0.02 . 1 . . . . . . . . 6433 1 33 . 1 1 9 9 LEU CB C 13 42.63 0.1 . 1 . . . . . . . . 6433 1 34 . 1 1 9 9 LEU HB2 H 1 1.27 0.02 . 2 . . . . . . . . 6433 1 35 . 1 1 9 9 LEU HG H 1 1.27 0.02 . 1 . . . . . . . . 6433 1 36 . 1 1 9 9 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 6433 1 37 . 1 1 9 9 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 6433 1 38 . 1 1 9 9 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 6433 1 39 . 1 1 9 9 LEU HD21 H 1 0.18 0.02 . 2 . . . . . . . . 6433 1 40 . 1 1 9 9 LEU HD22 H 1 0.18 0.02 . 2 . . . . . . . . 6433 1 41 . 1 1 9 9 LEU HD23 H 1 0.18 0.02 . 2 . . . . . . . . 6433 1 42 . 1 1 9 9 LEU C C 13 178.27 0.1 . 1 . . . . . . . . 6433 1 43 . 1 1 10 10 ASP N N 15 116.73 0.1 . 1 . . . . . . . . 6433 1 44 . 1 1 10 10 ASP H H 1 7.42 0.02 . 1 . . . . . . . . 6433 1 45 . 1 1 10 10 ASP CA C 13 51.56 0.1 . 1 . . . . . . . . 6433 1 46 . 1 1 10 10 ASP HA H 1 4.35 0.02 . 1 . . . . . . . . 6433 1 47 . 1 1 10 10 ASP CB C 13 36.97 0.1 . 1 . . . . . . . . 6433 1 48 . 1 1 10 10 ASP HB2 H 1 2.47 0.02 . 2 . . . . . . . . 6433 1 49 . 1 1 10 10 ASP C C 13 176.45 0.1 . 1 . . . . . . . . 6433 1 50 . 1 1 11 11 ALA N N 15 130.00 0.1 . 1 . . . . . . . . 6433 1 51 . 1 1 11 11 ALA H H 1 7.79 0.02 . 1 . . . . . . . . 6433 1 52 . 1 1 11 11 ALA CA C 13 53.66 0.1 . 1 . . . . . . . . 6433 1 53 . 1 1 11 11 ALA HA H 1 4.34 0.02 . 1 . . . . . . . . 6433 1 54 . 1 1 11 11 ALA CB C 13 18.51 0.1 . 1 . . . . . . . . 6433 1 55 . 1 1 11 11 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 6433 1 56 . 1 1 11 11 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 6433 1 57 . 1 1 11 11 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 6433 1 58 . 1 1 11 11 ALA C C 13 178.89 0.1 . 1 . . . . . . . . 6433 1 59 . 1 1 12 12 ASN N N 15 111.34 0.1 . 1 . . . . . . . . 6433 1 60 . 1 1 12 12 ASN H H 1 7.97 0.02 . 1 . . . . . . . . 6433 1 61 . 1 1 12 12 ASN CA C 13 50.81 0.1 . 1 . . . . . . . . 6433 1 62 . 1 1 12 12 ASN HA H 1 4.71 0.02 . 1 . . . . . . . . 6433 1 63 . 1 1 12 12 ASN CB C 13 36.38 0.1 . 1 . . . . . . . . 6433 1 64 . 1 1 12 12 ASN HB2 H 1 2.83 0.02 . 2 . . . . . . . . 6433 1 65 . 1 1 12 12 ASN HB3 H 1 3.25 0.02 . 2 . . . . . . . . 6433 1 66 . 1 1 12 12 ASN HD21 H 1 7.42 0.1 . 2 . . . . . . . . 6433 1 67 . 1 1 12 12 ASN C C 13 176.52 0.1 . 1 . . . . . . . . 6433 1 68 . 1 1 13 13 GLY N N 15 109.44 0.1 . 1 . . . . . . . . 6433 1 69 . 1 1 13 13 GLY H H 1 7.69 0.02 . 1 . . . . . . . . 6433 1 70 . 1 1 13 13 GLY CA C 13 46.60 0.1 . 1 . . . . . . . . 6433 1 71 . 1 1 13 13 GLY HA2 H 1 3.77 0.02 . 2 . . . . . . . . 6433 1 72 . 1 1 13 13 GLY C C 13 174.81 0.1 . 1 . . . . . . . . 6433 1 73 . 1 1 14 14 ASP N N 15 119.01 0.1 . 1 . . . . . . . . 6433 1 74 . 1 1 14 14 ASP H H 1 8.07 0.02 . 1 . . . . . . . . 6433 1 75 . 1 1 14 14 ASP CA C 13 52.69 0.1 . 1 . . . . . . . . 6433 1 76 . 1 1 14 14 ASP HA H 1 4.50 0.02 . 1 . . . . . . . . 6433 1 77 . 1 1 14 14 ASP CB C 13 39.66 0.1 . 1 . . . . . . . . 6433 1 78 . 1 1 14 14 ASP HB2 H 1 3.10 0.02 . 2 . . . . . . . . 6433 1 79 . 1 1 14 14 ASP HB3 H 1 2.36 0.02 . 2 . . . . . . . . 6433 1 80 . 1 1 14 14 ASP C C 13 177.93 0.1 . 1 . . . . . . . . 6433 1 81 . 1 1 15 15 GLY N N 15 114.04 0.1 . 1 . . . . . . . . 6433 1 82 . 1 1 15 15 GLY H H 1 10.53 0.02 . 1 . . . . . . . . 6433 1 83 . 1 1 15 15 GLY CA C 13 45.95 0.1 . 1 . . . . . . . . 6433 1 84 . 1 1 15 15 GLY HA2 H 1 4.30 0.02 . 2 . . . . . . . . 6433 1 85 . 1 1 15 15 GLY HA3 H 1 3.62 0.02 . 2 . . . . . . . . 6433 1 86 . 1 1 15 15 GLY C C 13 173.27 0.1 . 1 . . . . . . . . 6433 1 87 . 1 1 16 16 SER N N 15 114.46 0.1 . 1 . . . . . . . . 6433 1 88 . 1 1 16 16 SER H H 1 7.93 0.02 . 1 . . . . . . . . 6433 1 89 . 1 1 16 16 SER CA C 13 56.20 0.1 . 1 . . . . . . . . 6433 1 90 . 1 1 16 16 SER HA H 1 5.07 0.02 . 1 . . . . . . . . 6433 1 91 . 1 1 16 16 SER CB C 13 65.56 0.1 . 1 . . . . . . . . 6433 1 92 . 1 1 16 16 SER HB2 H 1 3.57 0.02 . 2 . . . . . . . . 6433 1 93 . 1 1 16 16 SER C C 13 172.48 0.1 . 1 . . . . . . . . 6433 1 94 . 1 1 17 17 VAL N N 15 128.09 0.1 . 1 . . . . . . . . 6433 1 95 . 1 1 17 17 VAL H H 1 9.63 0.02 . 1 . . . . . . . . 6433 1 96 . 1 1 17 17 VAL CA C 13 60.42 0.1 . 1 . . . . . . . . 6433 1 97 . 1 1 17 17 VAL HA H 1 4.92 0.02 . 1 . . . . . . . . 6433 1 98 . 1 1 17 17 VAL CB C 13 32.81 0.1 . 1 . . . . . . . . 6433 1 99 . 1 1 17 17 VAL HB H 1 1.85 0.02 . 1 . . . . . . . . 6433 1 100 . 1 1 17 17 VAL HG11 H 1 0.81 0.02 . 2 . . . . . . . . 6433 1 101 . 1 1 17 17 VAL HG12 H 1 0.81 0.02 . 2 . . . . . . . . 6433 1 102 . 1 1 17 17 VAL HG13 H 1 0.81 0.02 . 2 . . . . . . . . 6433 1 103 . 1 1 17 17 VAL C C 13 175.21 0.1 . 1 . . . . . . . . 6433 1 104 . 1 1 18 18 SER N N 15 125.46 0.1 . 1 . . . . . . . . 6433 1 105 . 1 1 18 18 SER H H 1 9.07 0.02 . 1 . . . . . . . . 6433 1 106 . 1 1 18 18 SER CA C 13 55.48 0.1 . 1 . . . . . . . . 6433 1 107 . 1 1 18 18 SER HA H 1 4.92 0.02 . 1 . . . . . . . . 6433 1 108 . 1 1 18 18 SER CB C 13 65.27 0.1 . 1 . . . . . . . . 6433 1 109 . 1 1 18 18 SER HB2 H 1 2.47 0.02 . 2 . . . . . . . . 6433 1 110 . 1 1 18 18 SER C C 13 175.17 0.1 . 1 . . . . . . . . 6433 1 111 . 1 1 19 19 TYR N N 15 123.07 0.1 . 1 . . . . . . . . 6433 1 112 . 1 1 19 19 TYR H H 1 9.20 0.02 . 1 . . . . . . . . 6433 1 113 . 1 1 19 19 TYR CA C 13 61.68 0.1 . 1 . . . . . . . . 6433 1 114 . 1 1 19 19 TYR HA H 1 3.98 0.02 . 1 . . . . . . . . 6433 1 115 . 1 1 19 19 TYR CB C 13 36.68 0.1 . 1 . . . . . . . . 6433 1 116 . 1 1 19 19 TYR HB2 H 1 2.36 0.02 . 2 . . . . . . . . 6433 1 117 . 1 1 19 19 TYR HB3 H 1 3.36 0.02 . 2 . . . . . . . . 6433 1 118 . 1 1 19 19 TYR HD1 H 1 7.00 0.02 . 3 . . . . . . . . 6433 1 119 . 1 1 19 19 TYR HE1 H 1 6.43 0.02 . 3 . . . . . . . . 6433 1 120 . 1 1 19 19 TYR C C 13 177.08 0.1 . 1 . . . . . . . . 6433 1 121 . 1 1 20 20 GLU N N 15 117.20 0.1 . 1 . . . . . . . . 6433 1 122 . 1 1 20 20 GLU H H 1 8.48 0.02 . 1 . . . . . . . . 6433 1 123 . 1 1 20 20 GLU CA C 13 59.01 0.1 . 1 . . . . . . . . 6433 1 124 . 1 1 20 20 GLU HA H 1 4.03 0.02 . 1 . . . . . . . . 6433 1 125 . 1 1 20 20 GLU CB C 13 27.74 0.1 . 1 . . . . . . . . 6433 1 126 . 1 1 20 20 GLU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 6433 1 127 . 1 1 20 20 GLU HG2 H 1 2.37 0.02 . 2 . . . . . . . . 6433 1 128 . 1 1 20 20 GLU HG3 H 1 2.16 0.02 . 2 . . . . . . . . 6433 1 129 . 1 1 20 20 GLU C C 13 179.81 0.1 . 1 . . . . . . . . 6433 1 130 . 1 1 21 21 GLU N N 15 120.44 0.1 . 1 . . . . . . . . 6433 1 131 . 1 1 21 21 GLU H H 1 7.75 0.02 . 1 . . . . . . . . 6433 1 132 . 1 1 21 21 GLU CA C 13 58.81 0.1 . 1 . . . . . . . . 6433 1 133 . 1 1 21 21 GLU HA H 1 3.98 0.02 . 1 . . . . . . . . 6433 1 134 . 1 1 21 21 GLU CB C 13 27.74 0.1 . 1 . . . . . . . . 6433 1 135 . 1 1 21 21 GLU HB2 H 1 2.48 0.02 . 2 . . . . . . . . 6433 1 136 . 1 1 21 21 GLU HB3 H 1 2.51 0.02 . 2 . . . . . . . . 6433 1 137 . 1 1 21 21 GLU HG2 H 1 1.48 0.02 . 2 . . . . . . . . 6433 1 138 . 1 1 21 21 GLU C C 13 180.45 0.1 . 1 . . . . . . . . 6433 1 139 . 1 1 22 22 VAL N N 15 121.98 0.1 . 1 . . . . . . . . 6433 1 140 . 1 1 22 22 VAL H H 1 8.06 0.02 . 1 . . . . . . . . 6433 1 141 . 1 1 22 22 VAL CA C 13 66.51 0.1 . 1 . . . . . . . . 6433 1 142 . 1 1 22 22 VAL HA H 1 3.51 0.02 . 1 . . . . . . . . 6433 1 143 . 1 1 22 22 VAL CB C 13 31.90 0.1 . 1 . . . . . . . . 6433 1 144 . 1 1 22 22 VAL HB H 1 2.16 0.02 . 1 . . . . . . . . 6433 1 145 . 1 1 22 22 VAL HG11 H 1 0.91 0.02 . 2 . . . . . . . . 6433 1 146 . 1 1 22 22 VAL HG12 H 1 0.91 0.02 . 2 . . . . . . . . 6433 1 147 . 1 1 22 22 VAL HG13 H 1 0.91 0.02 . 2 . . . . . . . . 6433 1 148 . 1 1 22 22 VAL C C 13 176.99 0.1 . 1 . . . . . . . . 6433 1 149 . 1 1 23 23 LYS N N 15 120.54 0.1 . 1 . . . . . . . . 6433 1 150 . 1 1 23 23 LYS H H 1 8.60 0.02 . 1 . . . . . . . . 6433 1 151 . 1 1 23 23 LYS CA C 13 58.78 0.1 . 1 . . . . . . . . 6433 1 152 . 1 1 23 23 LYS HA H 1 4.60 0.02 . 1 . . . . . . . . 6433 1 153 . 1 1 23 23 LYS CB C 13 31.62 0.1 . 1 . . . . . . . . 6433 1 154 . 1 1 23 23 LYS HB2 H 1 1.48 0.02 . 2 . . . . . . . . 6433 1 155 . 1 1 23 23 LYS HG2 H 1 1.07 0.02 . 2 . . . . . . . . 6433 1 156 . 1 1 23 23 LYS HE2 H 1 3.51 0.02 . 2 . . . . . . . . 6433 1 157 . 1 1 23 23 LYS C C 13 178.77 0.1 . 1 . . . . . . . . 6433 1 158 . 1 1 24 24 ALA N N 15 121.87 0.1 . 1 . . . . . . . . 6433 1 159 . 1 1 24 24 ALA H H 1 8.21 0.02 . 1 . . . . . . . . 6433 1 160 . 1 1 24 24 ALA CA C 13 54.33 0.1 . 1 . . . . . . . . 6433 1 161 . 1 1 24 24 ALA HA H 1 3.98 0.02 . 1 . . . . . . . . 6433 1 162 . 1 1 24 24 ALA CB C 13 17.92 0.1 . 1 . . . . . . . . 6433 1 163 . 1 1 24 24 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 6433 1 164 . 1 1 24 24 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 6433 1 165 . 1 1 24 24 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 6433 1 166 . 1 1 24 24 ALA C C 13 179.72 0.1 . 1 . . . . . . . . 6433 1 167 . 1 1 25 25 PHE N N 15 118.41 0.1 . 1 . . . . . . . . 6433 1 168 . 1 1 25 25 PHE H H 1 7.70 0.02 . 1 . . . . . . . . 6433 1 169 . 1 1 25 25 PHE CA C 13 58.58 0.1 . 1 . . . . . . . . 6433 1 170 . 1 1 25 25 PHE HA H 1 4.19 0.02 . 1 . . . . . . . . 6433 1 171 . 1 1 25 25 PHE CB C 13 39.68 0.1 . 1 . . . . . . . . 6433 1 172 . 1 1 25 25 PHE HB2 H 1 3.06 0.02 . 2 . . . . . . . . 6433 1 173 . 1 1 25 25 PHE HB3 H 1 3.36 0.02 . 2 . . . . . . . . 6433 1 174 . 1 1 25 25 PHE C C 13 180.45 0.1 . 1 . . . . . . . . 6433 1 175 . 1 1 26 26 VAL N N 15 122.23 0.1 . 1 . . . . . . . . 6433 1 176 . 1 1 26 26 VAL H H 1 8.03 0.02 . 1 . . . . . . . . 6433 1 177 . 1 1 26 26 VAL CA C 13 66.51 0.1 . 1 . . . . . . . . 6433 1 178 . 1 1 26 26 VAL CB C 13 29.98 0.1 . 1 . . . . . . . . 6433 1 179 . 1 1 26 26 VAL C C 13 177.70 0.1 . 1 . . . . . . . . 6433 1 180 . 1 1 27 27 SER N N 15 112.79 0.1 . 1 . . . . . . . . 6433 1 181 . 1 1 27 27 SER H H 1 8.40 0.02 . 1 . . . . . . . . 6433 1 182 . 1 1 27 27 SER CA C 13 59.90 0.1 . 1 . . . . . . . . 6433 1 183 . 1 1 27 27 SER HA H 1 4.76 0.02 . 1 . . . . . . . . 6433 1 184 . 1 1 27 27 SER CB C 13 61.99 0.1 . 1 . . . . . . . . 6433 1 185 . 1 1 27 27 SER HB2 H 1 3.93 0.02 . 2 . . . . . . . . 6433 1 186 . 1 1 27 27 SER HB3 H 1 4.29 0.02 . 2 . . . . . . . . 6433 1 187 . 1 1 27 27 SER C C 13 175.36 0.1 . 1 . . . . . . . . 6433 1 188 . 1 1 28 28 SER N N 15 115.66 0.1 . 1 . . . . . . . . 6433 1 189 . 1 1 28 28 SER H H 1 7.34 0.02 . 1 . . . . . . . . 6433 1 190 . 1 1 28 28 SER CA C 13 59.31 0.1 . 1 . . . . . . . . 6433 1 191 . 1 1 28 28 SER HA H 1 4.20 0.02 . 1 . . . . . . . . 6433 1 192 . 1 1 28 28 SER CB C 13 61.99 0.1 . 1 . . . . . . . . 6433 1 193 . 1 1 28 28 SER HB2 H 1 3.88 0.02 . 2 . . . . . . . . 6433 1 194 . 1 1 28 28 SER HB3 H 1 3.51 0.02 . 2 . . . . . . . . 6433 1 195 . 1 1 28 28 SER C C 13 174.54 0.1 . 1 . . . . . . . . 6433 1 196 . 1 1 29 29 LYS N N 15 120.08 0.1 . 1 . . . . . . . . 6433 1 197 . 1 1 29 29 LYS H H 1 7.59 0.02 . 1 . . . . . . . . 6433 1 198 . 1 1 29 29 LYS CA C 13 54.80 0.1 . 1 . . . . . . . . 6433 1 199 . 1 1 29 29 LYS HA H 1 4.29 0.02 . 1 . . . . . . . . 6433 1 200 . 1 1 29 29 LYS CB C 13 32.51 0.1 . 1 . . . . . . . . 6433 1 201 . 1 1 29 29 LYS HB2 H 1 1.69 0.02 . 2 . . . . . . . . 6433 1 202 . 1 1 29 29 LYS HG2 H 1 1.43 0.02 . 2 . . . . . . . . 6433 1 203 . 1 1 29 29 LYS C C 13 176.24 0.1 . 1 . . . . . . . . 6433 1 204 . 1 1 30 30 ARG N N 15 118.27 0.1 . 1 . . . . . . . . 6433 1 205 . 1 1 30 30 ARG H H 1 8.30 0.02 . 1 . . . . . . . . 6433 1 206 . 1 1 30 30 ARG CA C 13 53.05 0.1 . 1 . . . . . . . . 6433 1 207 . 1 1 30 30 ARG HA H 1 4.66 0.02 . 1 . . . . . . . . 6433 1 208 . 1 1 30 30 ARG CB C 13 28.63 0.1 . 1 . . . . . . . . 6433 1 209 . 1 1 30 30 ARG HB2 H 1 1.95 0.02 . 2 . . . . . . . . 6433 1 210 . 1 1 30 30 ARG HG2 H 1 1.70 0.02 . 2 . . . . . . . . 6433 1 211 . 1 1 30 30 ARG HD2 H 1 2.94 0.02 . 2 . . . . . . . . 6433 1 212 . 1 1 30 30 ARG C C 13 176.48 0.1 . 1 . . . . . . . . 6433 1 213 . 1 1 31 31 PRO CA C 13 61.36 0.1 . 1 . . . . . . . . 6433 1 214 . 1 1 31 31 PRO CB C 13 31.35 0.1 . 1 . . . . . . . . 6433 1 215 . 1 1 31 31 PRO C C 13 177.36 0.1 . 1 . . . . . . . . 6433 1 216 . 1 1 32 32 ILE N N 15 123.54 0.1 . 1 . . . . . . . . 6433 1 217 . 1 1 32 32 ILE H H 1 8.58 0.02 . 1 . . . . . . . . 6433 1 218 . 1 1 32 32 ILE CA C 13 59.95 0.1 . 1 . . . . . . . . 6433 1 219 . 1 1 32 32 ILE HA H 1 4.03 0.02 . 1 . . . . . . . . 6433 1 220 . 1 1 32 32 ILE CB C 13 36.68 0.1 . 1 . . . . . . . . 6433 1 221 . 1 1 32 32 ILE HB H 1 1.85 0.02 . 2 . . . . . . . . 6433 1 222 . 1 1 32 32 ILE HG12 H 1 1.59 0.02 . 2 . . . . . . . . 6433 1 223 . 1 1 32 32 ILE HG21 H 1 0.81 0.02 . 4 . . . . . . . . 6433 1 224 . 1 1 32 32 ILE HG22 H 1 0.81 0.02 . 4 . . . . . . . . 6433 1 225 . 1 1 32 32 ILE HG23 H 1 0.81 0.02 . 4 . . . . . . . . 6433 1 226 . 1 1 32 32 ILE HD11 H 1 0.96 0.02 . 4 . . . . . . . . 6433 1 227 . 1 1 32 32 ILE HD12 H 1 0.96 0.02 . 4 . . . . . . . . 6433 1 228 . 1 1 32 32 ILE HD13 H 1 0.96 0.02 . 4 . . . . . . . . 6433 1 229 . 1 1 32 32 ILE C C 13 176.05 0.1 . 1 . . . . . . . . 6433 1 230 . 1 1 33 33 LYS N N 15 129.00 0.1 . 1 . . . . . . . . 6433 1 231 . 1 1 33 33 LYS H H 1 9.19 0.02 . 1 . . . . . . . . 6433 1 232 . 1 1 33 33 LYS CA C 13 56.20 0.1 . 1 . . . . . . . . 6433 1 233 . 1 1 33 33 LYS CB C 13 32.51 0.1 . 1 . . . . . . . . 6433 1 234 . 1 1 33 33 LYS C C 13 176.77 0.1 . 1 . . . . . . . . 6433 1 235 . 1 1 34 34 ASN N N 15 119.49 0.1 . 1 . . . . . . . . 6433 1 236 . 1 1 34 34 ASN H H 1 8.56 0.02 . 1 . . . . . . . . 6433 1 237 . 1 1 34 34 ASN CA C 13 50.57 0.1 . 1 . . . . . . . . 6433 1 238 . 1 1 34 34 ASN CB C 13 38.15 0.1 . 1 . . . . . . . . 6433 1 239 . 1 1 34 34 ASN C C 13 174.83 0.1 . 1 . . . . . . . . 6433 1 240 . 1 1 35 35 GLU N N 15 125.50 0.1 . 1 . . . . . . . . 6433 1 241 . 1 1 35 35 GLU H H 1 8.99 0.02 . 1 . . . . . . . . 6433 1 242 . 1 1 35 35 GLU CA C 13 58.54 0.1 . 1 . . . . . . . . 6433 1 243 . 1 1 35 35 GLU HA H 1 4.61 0.02 . 1 . . . . . . . . 6433 1 244 . 1 1 35 35 GLU CB C 13 28.05 0.1 . 1 . . . . . . . . 6433 1 245 . 1 1 35 35 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 6433 1 246 . 1 1 35 35 GLU HG2 H 1 3.77 0.02 . 2 . . . . . . . . 6433 1 247 . 1 1 35 35 GLU C C 13 177.58 0.1 . 1 . . . . . . . . 6433 1 248 . 1 1 36 36 GLN N N 15 118.50 0.1 . 1 . . . . . . . . 6433 1 249 . 1 1 36 36 GLN H H 1 8.38 0.02 . 1 . . . . . . . . 6433 1 250 . 1 1 36 36 GLN CA C 13 58.71 0.1 . 1 . . . . . . . . 6433 1 251 . 1 1 36 36 GLN HA H 1 4.04 0.02 . 1 . . . . . . . . 6433 1 252 . 1 1 36 36 GLN CB C 13 28.04 0.1 . 1 . . . . . . . . 6433 1 253 . 1 1 36 36 GLN HB2 H 1 2.36 0.02 . 2 . . . . . . . . 6433 1 254 . 1 1 36 36 GLN HG2 H 1 2.06 0.02 . 2 . . . . . . . . 6433 1 255 . 1 1 36 36 GLN C C 13 178.58 0.1 . 1 . . . . . . . . 6433 1 256 . 1 1 37 37 LEU N N 15 119.48 0.1 . 1 . . . . . . . . 6433 1 257 . 1 1 37 37 LEU H H 1 7.48 0.02 . 1 . . . . . . . . 6433 1 258 . 1 1 37 37 LEU CA C 13 56.93 0.1 . 1 . . . . . . . . 6433 1 259 . 1 1 37 37 LEU HA H 1 4.04 0.02 . 1 . . . . . . . . 6433 1 260 . 1 1 37 37 LEU CB C 13 40.85 0.1 . 1 . . . . . . . . 6433 1 261 . 1 1 37 37 LEU HB2 H 1 1.53 0.02 . 2 . . . . . . . . 6433 1 262 . 1 1 37 37 LEU HG H 1 1.53 0.02 . 1 . . . . . . . . 6433 1 263 . 1 1 37 37 LEU HD11 H 1 0.91 0.02 . 2 . . . . . . . . 6433 1 264 . 1 1 37 37 LEU HD12 H 1 0.91 0.02 . 2 . . . . . . . . 6433 1 265 . 1 1 37 37 LEU HD13 H 1 0.91 0.02 . 2 . . . . . . . . 6433 1 266 . 1 1 37 37 LEU C C 13 177.83 0.1 . 1 . . . . . . . . 6433 1 267 . 1 1 38 38 LEU N N 15 119.12 0.1 . 1 . . . . . . . . 6433 1 268 . 1 1 38 38 LEU H H 1 7.15 0.02 . 1 . . . . . . . . 6433 1 269 . 1 1 38 38 LEU CA C 13 56.93 0.1 . 1 . . . . . . . . 6433 1 270 . 1 1 38 38 LEU HA H 1 4.08 0.02 . 1 . . . . . . . . 6433 1 271 . 1 1 38 38 LEU CB C 13 40.85 0.1 . 1 . . . . . . . . 6433 1 272 . 1 1 38 38 LEU HB2 H 1 2.36 0.02 . 2 . . . . . . . . 6433 1 273 . 1 1 38 38 LEU HG H 1 1.90 0.02 . 1 . . . . . . . . 6433 1 274 . 1 1 38 38 LEU HD11 H 1 0.91 0.02 . 2 . . . . . . . . 6433 1 275 . 1 1 38 38 LEU HD12 H 1 0.91 0.02 . 2 . . . . . . . . 6433 1 276 . 1 1 38 38 LEU HD13 H 1 0.91 0.02 . 2 . . . . . . . . 6433 1 277 . 1 1 38 38 LEU C C 13 178.08 0.1 . 1 . . . . . . . . 6433 1 278 . 1 1 39 39 GLN N N 15 117.32 0.1 . 1 . . . . . . . . 6433 1 279 . 1 1 39 39 GLN H H 1 8.47 0.02 . 1 . . . . . . . . 6433 1 280 . 1 1 39 39 GLN CA C 13 59.00 0.1 . 1 . . . . . . . . 6433 1 281 . 1 1 39 39 GLN HA H 1 3.57 0.02 . 1 . . . . . . . . 6433 1 282 . 1 1 39 39 GLN CB C 13 27.74 0.1 . 1 . . . . . . . . 6433 1 283 . 1 1 39 39 GLN HB2 H 1 1.95 0.02 . 2 . . . . . . . . 6433 1 284 . 1 1 39 39 GLN HG2 H 1 2.36 0.02 . 2 . . . . . . . . 6433 1 285 . 1 1 39 39 GLN HE21 H 1 6.40 0.1 . 2 . . . . . . . . 6433 1 286 . 1 1 39 39 GLN C C 13 178.23 0.1 . 1 . . . . . . . . 6433 1 287 . 1 1 40 40 LEU N N 15 120.08 0.1 . 1 . . . . . . . . 6433 1 288 . 1 1 40 40 LEU H H 1 7.89 0.02 . 1 . . . . . . . . 6433 1 289 . 1 1 40 40 LEU CA C 13 57.22 0.1 . 1 . . . . . . . . 6433 1 290 . 1 1 40 40 LEU HA H 1 3.82 0.02 . 1 . . . . . . . . 6433 1 291 . 1 1 40 40 LEU CB C 13 41.44 0.1 . 1 . . . . . . . . 6433 1 292 . 1 1 40 40 LEU HB2 H 1 1.74 0.02 . 2 . . . . . . . . 6433 1 293 . 1 1 40 40 LEU HG H 1 1.48 0.02 . 1 . . . . . . . . 6433 1 294 . 1 1 40 40 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 6433 1 295 . 1 1 40 40 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 6433 1 296 . 1 1 40 40 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 6433 1 297 . 1 1 40 40 LEU C C 13 177.75 0.1 . 1 . . . . . . . . 6433 1 298 . 1 1 41 41 ILE N N 15 117.57 0.1 . 1 . . . . . . . . 6433 1 299 . 1 1 41 41 ILE H H 1 8.08 0.02 . 1 . . . . . . . . 6433 1 300 . 1 1 41 41 ILE CA C 13 65.11 0.1 . 1 . . . . . . . . 6433 1 301 . 1 1 41 41 ILE CB C 13 37.58 0.1 . 1 . . . . . . . . 6433 1 302 . 1 1 41 41 ILE HB H 1 1.95 0.02 . 1 . . . . . . . . 6433 1 303 . 1 1 41 41 ILE HG21 H 1 0.81 0.02 . 4 . . . . . . . . 6433 1 304 . 1 1 41 41 ILE HG22 H 1 0.81 0.02 . 4 . . . . . . . . 6433 1 305 . 1 1 41 41 ILE HG23 H 1 0.81 0.02 . 4 . . . . . . . . 6433 1 306 . 1 1 41 41 ILE HD11 H 1 0.81 0.02 . 4 . . . . . . . . 6433 1 307 . 1 1 41 41 ILE HD12 H 1 0.81 0.02 . 4 . . . . . . . . 6433 1 308 . 1 1 41 41 ILE HD13 H 1 0.81 0.02 . 4 . . . . . . . . 6433 1 309 . 1 1 41 41 ILE C C 13 176.55 0.1 . 1 . . . . . . . . 6433 1 310 . 1 1 42 42 PHE N N 15 118.52 0.1 . 1 . . . . . . . . 6433 1 311 . 1 1 42 42 PHE H H 1 8.47 0.02 . 1 . . . . . . . . 6433 1 312 . 1 1 42 42 PHE CA C 13 62.29 0.1 . 1 . . . . . . . . 6433 1 313 . 1 1 42 42 PHE HA H 1 4.14 0.02 . 1 . . . . . . . . 6433 1 314 . 1 1 42 42 PHE CB C 13 39.96 0.1 . 1 . . . . . . . . 6433 1 315 . 1 1 42 42 PHE C C 13 176.71 0.1 . 1 . . . . . . . . 6433 1 316 . 1 1 43 43 LYS N N 15 116.38 0.1 . 1 . . . . . . . . 6433 1 317 . 1 1 43 43 LYS H H 1 8.09 0.02 . 1 . . . . . . . . 6433 1 318 . 1 1 43 43 LYS CA C 13 58.31 0.1 . 1 . . . . . . . . 6433 1 319 . 1 1 43 43 LYS HA H 1 4.20 0.02 . 1 . . . . . . . . 6433 1 320 . 1 1 43 43 LYS CB C 13 31.90 0.1 . 1 . . . . . . . . 6433 1 321 . 1 1 43 43 LYS HB2 H 1 2.11 0.02 . 2 . . . . . . . . 6433 1 322 . 1 1 43 43 LYS HG2 H 1 1.48 0.02 . 2 . . . . . . . . 6433 1 323 . 1 1 43 43 LYS HG3 H 1 1.12 0.02 . 2 . . . . . . . . 6433 1 324 . 1 1 43 43 LYS HD2 H 1 1.60 0.02 . 2 . . . . . . . . 6433 1 325 . 1 1 43 43 LYS C C 13 176.81 0.1 . 1 . . . . . . . . 6433 1 326 . 1 1 44 44 ALA N N 15 119.24 0.1 . 1 . . . . . . . . 6433 1 327 . 1 1 44 44 ALA H H 1 7.78 0.02 . 1 . . . . . . . . 6433 1 328 . 1 1 44 44 ALA CA C 13 52.92 0.1 . 1 . . . . . . . . 6433 1 329 . 1 1 44 44 ALA HA H 1 3.67 0.02 . 1 . . . . . . . . 6433 1 330 . 1 1 44 44 ALA CB C 13 18.81 0.1 . 1 . . . . . . . . 6433 1 331 . 1 1 44 44 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 6433 1 332 . 1 1 44 44 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 6433 1 333 . 1 1 44 44 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 6433 1 334 . 1 1 44 44 ALA C C 13 178.31 0.1 . 1 . . . . . . . . 6433 1 335 . 1 1 45 45 ILE N N 15 117.13 0.1 . 1 . . . . . . . . 6433 1 336 . 1 1 45 45 ILE H H 1 7.52 0.02 . 1 . . . . . . . . 6433 1 337 . 1 1 45 45 ILE CA C 13 57.14 0.1 . 1 . . . . . . . . 6433 1 338 . 1 1 45 45 ILE CB C 13 40.48 0.1 . 1 . . . . . . . . 6433 1 339 . 1 1 45 45 ILE C C 13 178.91 0.1 . 1 . . . . . . . . 6433 1 340 . 1 1 46 46 ASP N N 15 120.20 0.1 . 1 . . . . . . . . 6433 1 341 . 1 1 46 46 ASP H H 1 7.37 0.02 . 1 . . . . . . . . 6433 1 342 . 1 1 46 46 ASP CA C 13 51.78 0.1 . 1 . . . . . . . . 6433 1 343 . 1 1 46 46 ASP HA H 1 4.30 0.02 . 1 . . . . . . . . 6433 1 344 . 1 1 46 46 ASP CB C 13 37.88 0.1 . 1 . . . . . . . . 6433 1 345 . 1 1 46 46 ASP HB2 H 1 2.88 0.02 . 2 . . . . . . . . 6433 1 346 . 1 1 46 46 ASP HB3 H 1 3.25 0.02 . 2 . . . . . . . . 6433 1 347 . 1 1 46 46 ASP C C 13 176.48 0.1 . 1 . . . . . . . . 6433 1 348 . 1 1 47 47 ILE N N 15 125.70 0.1 . 1 . . . . . . . . 6433 1 349 . 1 1 47 47 ILE H H 1 7.92 0.02 . 1 . . . . . . . . 6433 1 350 . 1 1 47 47 ILE CA C 13 63.48 0.1 . 1 . . . . . . . . 6433 1 351 . 1 1 47 47 ILE HA H 1 3.72 0.02 . 1 . . . . . . . . 6433 1 352 . 1 1 47 47 ILE CB C 13 37.27 0.1 . 1 . . . . . . . . 6433 1 353 . 1 1 47 47 ILE HB H 1 1.95 0.02 . 1 . . . . . . . . 6433 1 354 . 1 1 47 47 ILE HG12 H 1 1.64 0.02 . 2 . . . . . . . . 6433 1 355 . 1 1 47 47 ILE HG13 H 1 1.38 0.02 . 2 . . . . . . . . 6433 1 356 . 1 1 47 47 ILE HG21 H 1 0.91 0.02 . 4 . . . . . . . . 6433 1 357 . 1 1 47 47 ILE HG22 H 1 0.91 0.02 . 4 . . . . . . . . 6433 1 358 . 1 1 47 47 ILE HG23 H 1 0.91 0.02 . 4 . . . . . . . . 6433 1 359 . 1 1 47 47 ILE HD11 H 1 0.91 0.02 . 4 . . . . . . . . 6433 1 360 . 1 1 47 47 ILE HD12 H 1 0.91 0.02 . 4 . . . . . . . . 6433 1 361 . 1 1 47 47 ILE HD13 H 1 0.91 0.02 . 4 . . . . . . . . 6433 1 362 . 1 1 47 47 ILE C C 13 178.17 0.1 . 1 . . . . . . . . 6433 1 363 . 1 1 48 48 ASP N N 15 115.42 0.1 . 1 . . . . . . . . 6433 1 364 . 1 1 48 48 ASP H H 1 8.13 0.02 . 1 . . . . . . . . 6433 1 365 . 1 1 48 48 ASP CA C 13 52.69 0.1 . 1 . . . . . . . . 6433 1 366 . 1 1 48 48 ASP HA H 1 4.50 0.02 . 1 . . . . . . . . 6433 1 367 . 1 1 48 48 ASP CB C 13 38.77 0.1 . 1 . . . . . . . . 6433 1 368 . 1 1 48 48 ASP HB2 H 1 3.05 0.02 . 2 . . . . . . . . 6433 1 369 . 1 1 48 48 ASP HB3 H 1 2.63 0.02 . 2 . . . . . . . . 6433 1 370 . 1 1 48 48 ASP C C 13 177.93 0.1 . 1 . . . . . . . . 6433 1 371 . 1 1 49 49 GLY N N 15 108.84 0.1 . 1 . . . . . . . . 6433 1 372 . 1 1 49 49 GLY H H 1 7.89 0.02 . 1 . . . . . . . . 6433 1 373 . 1 1 49 49 GLY CA C 13 46.12 0.1 . 1 . . . . . . . . 6433 1 374 . 1 1 49 49 GLY HA2 H 1 3.83 0.02 . 2 . . . . . . . . 6433 1 375 . 1 1 49 49 GLY C C 13 175.11 0.1 . 1 . . . . . . . . 6433 1 376 . 1 1 50 50 ASN N N 15 118.88 0.1 . 1 . . . . . . . . 6433 1 377 . 1 1 50 50 ASN H H 1 8.21 0.02 . 1 . . . . . . . . 6433 1 378 . 1 1 50 50 ASN CA C 13 51.78 0.1 . 1 . . . . . . . . 6433 1 379 . 1 1 50 50 ASN HA H 1 4.61 0.02 . 1 . . . . . . . . 6433 1 380 . 1 1 50 50 ASN CB C 13 36.68 0.1 . 1 . . . . . . . . 6433 1 381 . 1 1 50 50 ASN HB2 H 1 2.62 0.02 . 2 . . . . . . . . 6433 1 382 . 1 1 50 50 ASN HB3 H 1 3.31 0.02 . 2 . . . . . . . . 6433 1 383 . 1 1 50 50 ASN HD21 H 1 6.95 0.1 . 2 . . . . . . . . 6433 1 384 . 1 1 50 50 ASN C C 13 176.46 0.1 . 1 . . . . . . . . 6433 1 385 . 1 1 51 51 GLY N N 15 113.50 0.1 . 1 . . . . . . . . 6433 1 386 . 1 1 51 51 GLY H H 1 10.75 0.02 . 1 . . . . . . . . 6433 1 387 . 1 1 51 51 GLY CA C 13 44.72 0.1 . 1 . . . . . . . . 6433 1 388 . 1 1 51 51 GLY HA2 H 1 3.67 0.02 . 2 . . . . . . . . 6433 1 389 . 1 1 51 51 GLY HA3 H 1 4.30 0.02 . 2 . . . . . . . . 6433 1 390 . 1 1 51 51 GLY C C 13 173.09 0.1 . 1 . . . . . . . . 6433 1 391 . 1 1 52 52 GLU N N 15 115.82 0.1 . 1 . . . . . . . . 6433 1 392 . 1 1 52 52 GLU H H 1 7.62 0.02 . 1 . . . . . . . . 6433 1 393 . 1 1 52 52 GLU CA C 13 52.45 0.1 . 1 . . . . . . . . 6433 1 394 . 1 1 52 52 GLU HA H 1 4.97 0.02 . 1 . . . . . . . . 6433 1 395 . 1 1 52 52 GLU CB C 13 31.62 0.1 . 1 . . . . . . . . 6433 1 396 . 1 1 52 52 GLU HB2 H 1 2.21 0.02 . 2 . . . . . . . . 6433 1 397 . 1 1 52 52 GLU HG2 H 1 1.74 0.02 . 2 . . . . . . . . 6433 1 398 . 1 1 52 52 GLU HG3 H 1 1.84 0.02 . 2 . . . . . . . . 6433 1 399 . 1 1 52 52 GLU C C 13 174.24 0.1 . 1 . . . . . . . . 6433 1 400 . 1 1 53 53 ILE N N 15 127.13 0.1 . 1 . . . . . . . . 6433 1 401 . 1 1 53 53 ILE H H 1 9.81 0.02 . 1 . . . . . . . . 6433 1 402 . 1 1 53 53 ILE CA C 13 59.31 0.1 . 1 . . . . . . . . 6433 1 403 . 1 1 53 53 ILE HA H 1 3.77 0.02 . 1 . . . . . . . . 6433 1 404 . 1 1 53 53 ILE CB C 13 41.62 0.1 . 1 . . . . . . . . 6433 1 405 . 1 1 53 53 ILE HB H 1 1.95 0.02 . 1 . . . . . . . . 6433 1 406 . 1 1 53 53 ILE HG12 H 1 1.07 0.02 . 2 . . . . . . . . 6433 1 407 . 1 1 53 53 ILE HG21 H 1 1.07 0.02 . 4 . . . . . . . . 6433 1 408 . 1 1 53 53 ILE HG22 H 1 1.07 0.02 . 4 . . . . . . . . 6433 1 409 . 1 1 53 53 ILE HG23 H 1 1.07 0.02 . 4 . . . . . . . . 6433 1 410 . 1 1 53 53 ILE HD11 H 1 0.28 0.02 . 4 . . . . . . . . 6433 1 411 . 1 1 53 53 ILE HD12 H 1 0.28 0.02 . 4 . . . . . . . . 6433 1 412 . 1 1 53 53 ILE HD13 H 1 0.28 0.02 . 4 . . . . . . . . 6433 1 413 . 1 1 53 53 ILE C C 13 175.86 0.1 . 1 . . . . . . . . 6433 1 414 . 1 1 54 54 ASP N N 15 128.32 0.1 . 1 . . . . . . . . 6433 1 415 . 1 1 54 54 ASP H H 1 8.78 0.02 . 1 . . . . . . . . 6433 1 416 . 1 1 54 54 ASP CA C 13 51.04 0.1 . 1 . . . . . . . . 6433 1 417 . 1 1 54 54 ASP HA H 1 5.23 0.02 . 1 . . . . . . . . 6433 1 418 . 1 1 54 54 ASP CB C 13 41.44 0.1 . 1 . . . . . . . . 6433 1 419 . 1 1 54 54 ASP HB2 H 1 2.21 0.02 . 2 . . . . . . . . 6433 1 420 . 1 1 54 54 ASP HB3 H 1 2.52 0.02 . 2 . . . . . . . . 6433 1 421 . 1 1 54 54 ASP C C 13 176.20 0.1 . 1 . . . . . . . . 6433 1 422 . 1 1 55 55 LEU N N 15 120.43 0.1 . 1 . . . . . . . . 6433 1 423 . 1 1 55 55 LEU H H 1 8.47 0.02 . 1 . . . . . . . . 6433 1 424 . 1 1 55 55 LEU CA C 13 57.37 0.1 . 1 . . . . . . . . 6433 1 425 . 1 1 55 55 LEU HA H 1 3.25 0.02 . 1 . . . . . . . . 6433 1 426 . 1 1 55 55 LEU CB C 13 40.23 0.1 . 1 . . . . . . . . 6433 1 427 . 1 1 55 55 LEU HB2 H 1 2.73 0.02 . 2 . . . . . . . . 6433 1 428 . 1 1 55 55 LEU HG H 1 1.38 0.02 . 1 . . . . . . . . 6433 1 429 . 1 1 55 55 LEU HD11 H 1 1.17 0.02 . 2 . . . . . . . . 6433 1 430 . 1 1 55 55 LEU HD12 H 1 1.17 0.02 . 2 . . . . . . . . 6433 1 431 . 1 1 55 55 LEU HD13 H 1 1.17 0.02 . 2 . . . . . . . . 6433 1 432 . 1 1 55 55 LEU HD21 H 1 0.70 0.02 . 2 . . . . . . . . 6433 1 433 . 1 1 55 55 LEU HD22 H 1 0.70 0.02 . 2 . . . . . . . . 6433 1 434 . 1 1 55 55 LEU HD23 H 1 0.70 0.02 . 2 . . . . . . . . 6433 1 435 . 1 1 55 55 LEU C C 13 179.35 0.1 . 1 . . . . . . . . 6433 1 436 . 1 1 56 56 ALA N N 15 124.99 0.1 . 1 . . . . . . . . 6433 1 437 . 1 1 56 56 ALA H H 1 8.25 0.02 . 1 . . . . . . . . 6433 1 438 . 1 1 56 56 ALA CA C 13 54.84 0.1 . 1 . . . . . . . . 6433 1 439 . 1 1 56 56 ALA HA H 1 4.03 0.02 . 1 . . . . . . . . 6433 1 440 . 1 1 56 56 ALA CB C 13 17.62 0.1 . 1 . . . . . . . . 6433 1 441 . 1 1 56 56 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 6433 1 442 . 1 1 56 56 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 6433 1 443 . 1 1 56 56 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 6433 1 444 . 1 1 56 56 ALA C C 13 181.43 0.1 . 1 . . . . . . . . 6433 1 445 . 1 1 57 57 GLU N N 15 120.19 0.1 . 1 . . . . . . . . 6433 1 446 . 1 1 57 57 GLU H H 1 8.78 0.02 . 1 . . . . . . . . 6433 1 447 . 1 1 57 57 GLU CA C 13 58.08 0.1 . 1 . . . . . . . . 6433 1 448 . 1 1 57 57 GLU HA H 1 3.98 0.02 . 2 . . . . . . . . 6433 1 449 . 1 1 57 57 GLU CB C 13 28.94 0.1 . 1 . . . . . . . . 6433 1 450 . 1 1 57 57 GLU HB2 H 1 2.26 0.02 . 2 . . . . . . . . 6433 1 451 . 1 1 57 57 GLU HG2 H 1 2.94 0.02 . 2 . . . . . . . . 6433 1 452 . 1 1 57 57 GLU C C 13 177.59 0.1 . 1 . . . . . . . . 6433 1 453 . 1 1 58 58 PHE N N 15 117.09 0.1 . 1 . . . . . . . . 6433 1 454 . 1 1 58 58 PHE H H 1 8.75 0.02 . 1 . . . . . . . . 6433 1 455 . 1 1 58 58 PHE CA C 13 54.38 0.1 . 1 . . . . . . . . 6433 1 456 . 1 1 58 58 PHE CB C 13 42.04 0.1 . 1 . . . . . . . . 6433 1 457 . 1 1 58 58 PHE C C 13 178.37 0.1 . 1 . . . . . . . . 6433 1 458 . 1 1 59 59 THR N N 15 116.85 0.1 . 1 . . . . . . . . 6433 1 459 . 1 1 59 59 THR H H 1 8.76 0.02 . 1 . . . . . . . . 6433 1 460 . 1 1 59 59 THR CA C 13 59.08 0.1 . 1 . . . . . . . . 6433 1 461 . 1 1 59 59 THR CB C 13 64.98 0.1 . 1 . . . . . . . . 6433 1 462 . 1 1 59 59 THR C C 13 176.08 0.1 . 1 . . . . . . . . 6433 1 463 . 1 1 61 61 PHE CA C 13 62.36 0.1 . 1 . . . . . . . . 6433 1 464 . 1 1 61 61 PHE CB C 13 37.28 0.1 . 1 . . . . . . . . 6433 1 465 . 1 1 61 61 PHE C C 13 177.28 0.1 . 1 . . . . . . . . 6433 1 466 . 1 1 62 62 ALA N N 15 118.76 0.1 . 1 . . . . . . . . 6433 1 467 . 1 1 62 62 ALA H H 1 7.32 0.02 . 1 . . . . . . . . 6433 1 468 . 1 1 62 62 ALA CA C 13 52.92 0.1 . 1 . . . . . . . . 6433 1 469 . 1 1 62 62 ALA HA H 1 4.20 0.02 . 1 . . . . . . . . 6433 1 470 . 1 1 62 62 ALA CB C 13 18.21 0.1 . 1 . . . . . . . . 6433 1 471 . 1 1 62 62 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 6433 1 472 . 1 1 62 62 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 6433 1 473 . 1 1 62 62 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 6433 1 474 . 1 1 62 62 ALA C C 13 178.68 0.1 . 1 . . . . . . . . 6433 1 475 . 1 1 63 63 ALA N N 15 118.77 0.1 . 1 . . . . . . . . 6433 1 476 . 1 1 63 63 ALA H H 1 7.31 0.02 . 1 . . . . . . . . 6433 1 477 . 1 1 63 63 ALA CA C 13 52.76 0.1 . 1 . . . . . . . . 6433 1 478 . 1 1 63 63 ALA HA H 1 4.20 0.02 . 1 . . . . . . . . 6433 1 479 . 1 1 63 63 ALA CB C 13 18.21 0.1 . 1 . . . . . . . . 6433 1 480 . 1 1 63 63 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 6433 1 481 . 1 1 63 63 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 6433 1 482 . 1 1 63 63 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 6433 1 483 . 1 1 63 63 ALA C C 13 179.25 0.1 . 1 . . . . . . . . 6433 1 484 . 1 1 64 64 ALA N N 15 116.86 0.1 . 1 . . . . . . . . 6433 1 485 . 1 1 64 64 ALA H H 1 7.58 0.02 . 1 . . . . . . . . 6433 1 486 . 1 1 64 64 ALA CA C 13 62.06 0.1 . 1 . . . . . . . . 6433 1 487 . 1 1 64 64 ALA CB C 13 18.81 0.1 . 1 . . . . . . . . 6433 1 488 . 1 1 64 64 ALA C C 13 176.72 0.1 . 1 . . . . . . . . 6433 1 489 . 1 1 65 65 VAL N N 15 114.94 0.1 . 1 . . . . . . . . 6433 1 490 . 1 1 65 65 VAL H H 1 8.87 0.02 . 1 . . . . . . . . 6433 1 491 . 1 1 65 65 VAL CA C 13 66.51 0.1 . 1 . . . . . . . . 6433 1 492 . 1 1 65 65 VAL HA H 1 3.61 0.02 . 1 . . . . . . . . 6433 1 493 . 1 1 65 65 VAL HB H 1 2.23 0.02 . 1 . . . . . . . . 6433 1 494 . 1 1 65 65 VAL HG11 H 1 1.17 0.02 . 2 . . . . . . . . 6433 1 495 . 1 1 65 65 VAL HG12 H 1 1.17 0.02 . 2 . . . . . . . . 6433 1 496 . 1 1 65 65 VAL HG13 H 1 1.17 0.02 . 2 . . . . . . . . 6433 1 497 . 1 1 65 65 VAL C C 13 176.42 0.1 . 1 . . . . . . . . 6433 1 498 . 1 1 66 66 LYS N N 15 122.09 0.1 . 1 . . . . . . . . 6433 1 499 . 1 1 66 66 LYS H H 1 7.57 0.02 . 1 . . . . . . . . 6433 1 500 . 1 1 66 66 LYS CA C 13 58.71 0.1 . 1 . . . . . . . . 6433 1 501 . 1 1 66 66 LYS HA H 1 3.98 0.02 . 1 . . . . . . . . 6433 1 502 . 1 1 66 66 LYS CB C 13 31.91 0.1 . 1 . . . . . . . . 6433 1 503 . 1 1 66 66 LYS HB2 H 1 1.89 0.02 . 2 . . . . . . . . 6433 1 504 . 1 1 66 66 LYS HG2 H 1 1.53 0.02 . 2 . . . . . . . . 6433 1 505 . 1 1 66 66 LYS HG3 H 1 1.38 0.02 . 2 . . . . . . . . 6433 1 506 . 1 1 66 66 LYS HE2 H 1 2.94 0.02 . 2 . . . . . . . . 6433 1 507 . 1 1 66 66 LYS C C 13 176.08 0.1 . 1 . . . . . . . . 6433 1 508 . 1 1 69 69 ASP N N 15 123.50 0.1 . 1 . . . . . . . . 6433 1 509 . 1 1 69 69 ASP H H 1 8.40 0.02 . 1 . . . . . . . . 6433 1 510 . 1 1 69 69 ASP CA C 13 54.55 0.1 . 1 . . . . . . . . 6433 1 511 . 1 1 69 69 ASP HA H 1 4.35 0.02 . 1 . . . . . . . . 6433 1 512 . 1 1 69 69 ASP CB C 13 45.88 0.1 . 1 . . . . . . . . 6433 1 513 . 1 1 69 69 ASP HB2 H 1 2.15 0.02 . 2 . . . . . . . . 6433 1 514 . 1 1 69 69 ASP C C 13 175.21 0.1 . 1 . . . . . . . . 6433 1 515 . 1 1 70 70 LEU N N 15 119.74 0.1 . 1 . . . . . . . . 6433 1 516 . 1 1 70 70 LEU H H 1 8.03 0.02 . 1 . . . . . . . . 6433 1 517 . 1 1 70 70 LEU CA C 13 56.48 0.1 . 1 . . . . . . . . 6433 1 518 . 1 1 70 70 LEU CB C 13 39.68 0.1 . 1 . . . . . . . . 6433 1 519 . 1 1 70 70 LEU C C 13 176.40 0.1 . 1 . . . . . . . . 6433 1 520 . 1 1 71 71 SER N N 15 112.76 0.1 . 1 . . . . . . . . 6433 1 521 . 1 1 71 71 SER H H 1 8.43 0.02 . 1 . . . . . . . . 6433 1 522 . 1 1 71 71 SER CA C 13 58.54 0.1 . 1 . . . . . . . . 6433 1 523 . 1 1 71 71 SER HA H 1 4.35 0.02 . 1 . . . . . . . . 6433 1 524 . 1 1 71 71 SER CB C 13 62.29 0.1 . 1 . . . . . . . . 6433 1 525 . 1 1 71 71 SER HB2 H 1 3.93 0.02 . 2 . . . . . . . . 6433 1 526 . 1 1 71 71 SER C C 13 174.22 0.1 . 1 . . . . . . . . 6433 1 527 . 1 1 72 72 ASP N N 15 123.42 0.1 . 1 . . . . . . . . 6433 1 528 . 1 1 72 72 ASP H H 1 7.40 0.02 . 1 . . . . . . . . 6433 1 529 . 1 1 72 72 ASP CA C 13 52.92 0.1 . 1 . . . . . . . . 6433 1 530 . 1 1 72 72 ASP HA H 1 4.45 0.02 . 1 . . . . . . . . 6433 1 531 . 1 1 72 72 ASP CB C 13 40.80 0.1 . 1 . . . . . . . . 6433 1 532 . 1 1 72 72 ASP HB2 H 1 2.99 0.02 . 2 . . . . . . . . 6433 1 533 . 1 1 72 72 ASP HB3 H 1 2.63 0.02 . 2 . . . . . . . . 6433 1 534 . 1 1 72 72 ASP C C 13 175.81 0.1 . 1 . . . . . . . . 6433 1 535 . 1 1 73 73 GLU CA C 13 58.82 0.1 . 1 . . . . . . . . 6433 1 536 . 1 1 73 73 GLU CB C 13 28.64 0.1 . 1 . . . . . . . . 6433 1 537 . 1 1 73 73 GLU C C 13 175.41 0.1 . 1 . . . . . . . . 6433 1 538 . 1 1 74 74 LYS N N 15 118.44 0.1 . 1 . . . . . . . . 6433 1 539 . 1 1 74 74 LYS H H 1 7.43 0.02 . 1 . . . . . . . . 6433 1 540 . 1 1 74 74 LYS CA C 13 59.08 0.1 . 1 . . . . . . . . 6433 1 541 . 1 1 74 74 LYS CB C 13 31.38 0.1 . 1 . . . . . . . . 6433 1 542 . 1 1 74 74 LYS C C 13 176.77 0.1 . 1 . . . . . . . . 6433 1 543 . 1 1 75 75 VAL N N 15 120.20 0.1 . 1 . . . . . . . . 6433 1 544 . 1 1 75 75 VAL H H 1 7.65 0.02 . 1 . . . . . . . . 6433 1 545 . 1 1 75 75 VAL CA C 13 64.68 0.1 . 1 . . . . . . . . 6433 1 546 . 1 1 75 75 VAL CB C 13 38.18 0.1 . 1 . . . . . . . . 6433 1 547 . 1 1 75 75 VAL C C 13 175.81 0.1 . 1 . . . . . . . . 6433 1 548 . 1 1 76 76 GLY N N 15 108.48 0.1 . 1 . . . . . . . . 6433 1 549 . 1 1 76 76 GLY H H 1 8.76 0.02 . 1 . . . . . . . . 6433 1 550 . 1 1 76 76 GLY CA C 13 47.06 0.1 . 1 . . . . . . . . 6433 1 551 . 1 1 76 76 GLY HA2 H 1 3.67 0.02 . 2 . . . . . . . . 6433 1 552 . 1 1 76 76 GLY C C 13 174.59 0.1 . 1 . . . . . . . . 6433 1 553 . 1 1 77 77 LEU N N 15 120.20 0.1 . 1 . . . . . . . . 6433 1 554 . 1 1 77 77 LEU H H 1 7.73 0.02 . 1 . . . . . . . . 6433 1 555 . 1 1 77 77 LEU CA C 13 56.68 0.1 . 1 . . . . . . . . 6433 1 556 . 1 1 77 77 LEU HA H 1 3.83 0.02 . 1 . . . . . . . . 6433 1 557 . 1 1 77 77 LEU CB C 13 41.74 0.1 . 1 . . . . . . . . 6433 1 558 . 1 1 77 77 LEU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 6433 1 559 . 1 1 77 77 LEU HG H 1 1.69 0.02 . 1 . . . . . . . . 6433 1 560 . 1 1 77 77 LEU HD11 H 1 0.96 0.02 . 2 . . . . . . . . 6433 1 561 . 1 1 77 77 LEU HD12 H 1 0.96 0.02 . 2 . . . . . . . . 6433 1 562 . 1 1 77 77 LEU HD13 H 1 0.96 0.02 . 2 . . . . . . . . 6433 1 563 . 1 1 77 77 LEU C C 13 174.02 0.1 . 1 . . . . . . . . 6433 1 564 . 1 1 78 78 LYS N N 15 118.77 0.1 . 1 . . . . . . . . 6433 1 565 . 1 1 78 78 LYS H H 1 7.95 0.02 . 1 . . . . . . . . 6433 1 566 . 1 1 78 78 LYS CA C 13 59.95 0.1 . 1 . . . . . . . . 6433 1 567 . 1 1 78 78 LYS CB C 13 33.08 0.1 . 1 . . . . . . . . 6433 1 568 . 1 1 78 78 LYS C C 13 179.31 0.1 . 1 . . . . . . . . 6433 1 569 . 1 1 79 79 ILE N N 15 118.52 0.1 . 1 . . . . . . . . 6433 1 570 . 1 1 79 79 ILE H H 1 8.50 0.02 . 1 . . . . . . . . 6433 1 571 . 1 1 79 79 ILE CA C 13 65.38 0.1 . 1 . . . . . . . . 6433 1 572 . 1 1 79 79 ILE CB C 13 31.02 0.1 . 1 . . . . . . . . 6433 1 573 . 1 1 79 79 ILE C C 13 176.87 0.1 . 1 . . . . . . . . 6433 1 574 . 1 1 80 80 LEU N N 15 119.24 0.1 . 1 . . . . . . . . 6433 1 575 . 1 1 80 80 LEU H H 1 8.20 0.02 . 1 . . . . . . . . 6433 1 576 . 1 1 80 80 LEU CA C 13 57.61 0.1 . 1 . . . . . . . . 6433 1 577 . 1 1 80 80 LEU HA H 1 3.83 0.02 . 1 . . . . . . . . 6433 1 578 . 1 1 80 80 LEU CB C 13 41.15 0.1 . 1 . . . . . . . . 6433 1 579 . 1 1 80 80 LEU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 6433 1 580 . 1 1 80 80 LEU HG H 1 1.69 0.02 . 1 . . . . . . . . 6433 1 581 . 1 1 80 80 LEU HD11 H 1 0.96 0.02 . 2 . . . . . . . . 6433 1 582 . 1 1 80 80 LEU HD12 H 1 0.96 0.02 . 2 . . . . . . . . 6433 1 583 . 1 1 80 80 LEU HD13 H 1 0.96 0.02 . 2 . . . . . . . . 6433 1 584 . 1 1 80 80 LEU C C 13 177.57 0.1 . 1 . . . . . . . . 6433 1 585 . 1 1 81 81 TYR N N 15 117.81 0.1 . 1 . . . . . . . . 6433 1 586 . 1 1 81 81 TYR H H 1 8.42 0.02 . 1 . . . . . . . . 6433 1 587 . 1 1 81 81 TYR CA C 13 62.06 0.1 . 1 . . . . . . . . 6433 1 588 . 1 1 81 81 TYR HA H 1 3.88 0.02 . 1 . . . . . . . . 6433 1 589 . 1 1 81 81 TYR CB C 13 37.87 0.1 . 1 . . . . . . . . 6433 1 590 . 1 1 81 81 TYR HB2 H 1 2.99 0.02 . 2 . . . . . . . . 6433 1 591 . 1 1 81 81 TYR HD1 H 1 7.00 0.02 . 3 . . . . . . . . 6433 1 592 . 1 1 81 81 TYR HE1 H 1 6.22 0.02 . 3 . . . . . . . . 6433 1 593 . 1 1 81 81 TYR C C 13 176.61 0.1 . 1 . . . . . . . . 6433 1 594 . 1 1 82 82 LYS N N 15 115.89 0.1 . 1 . . . . . . . . 6433 1 595 . 1 1 82 82 LYS H H 1 7.57 0.02 . 1 . . . . . . . . 6433 1 596 . 1 1 82 82 LYS CA C 13 57.55 0.1 . 1 . . . . . . . . 6433 1 597 . 1 1 82 82 LYS HA H 1 4.12 0.02 . 1 . . . . . . . . 6433 1 598 . 1 1 82 82 LYS CB C 13 31.62 0.1 . 1 . . . . . . . . 6433 1 599 . 1 1 82 82 LYS HB2 H 1 1.89 0.02 . 2 . . . . . . . . 6433 1 600 . 1 1 82 82 LYS HG2 H 1 1.64 0.02 . 2 . . . . . . . . 6433 1 601 . 1 1 82 82 LYS HE2 H 1 3.38 0.02 . 2 . . . . . . . . 6433 1 602 . 1 1 82 82 LYS C C 13 179.02 0.1 . 1 . . . . . . . . 6433 1 603 . 1 1 83 83 LEU N N 15 116.61 0.1 . 1 . . . . . . . . 6433 1 604 . 1 1 83 83 LEU H H 1 7.86 0.02 . 1 . . . . . . . . 6433 1 605 . 1 1 83 83 LEU CA C 13 55.73 0.1 . 1 . . . . . . . . 6433 1 606 . 1 1 83 83 LEU HA H 1 3.93 0.02 . 1 . . . . . . . . 6433 1 607 . 1 1 83 83 LEU CB C 13 40.84 0.1 . 1 . . . . . . . . 6433 1 608 . 1 1 83 83 LEU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 6433 1 609 . 1 1 83 83 LEU HG H 1 1.80 0.02 . 1 . . . . . . . . 6433 1 610 . 1 1 83 83 LEU HD11 H 1 1.33 0.02 . 2 . . . . . . . . 6433 1 611 . 1 1 83 83 LEU HD12 H 1 1.33 0.02 . 2 . . . . . . . . 6433 1 612 . 1 1 83 83 LEU HD13 H 1 1.33 0.02 . 2 . . . . . . . . 6433 1 613 . 1 1 83 83 LEU HD21 H 1 0.86 0.02 . 2 . . . . . . . . 6433 1 614 . 1 1 83 83 LEU HD22 H 1 0.86 0.02 . 2 . . . . . . . . 6433 1 615 . 1 1 83 83 LEU HD23 H 1 0.86 0.02 . 2 . . . . . . . . 6433 1 616 . 1 1 83 83 LEU C C 13 178.16 0.1 . 1 . . . . . . . . 6433 1 617 . 1 1 84 84 MET N N 15 116.25 0.1 . 1 . . . . . . . . 6433 1 618 . 1 1 84 84 MET H H 1 7.40 0.02 . 1 . . . . . . . . 6433 1 619 . 1 1 84 84 MET CA C 13 57.22 0.1 . 1 . . . . . . . . 6433 1 620 . 1 1 84 84 MET HA H 1 3.46 0.02 . 1 . . . . . . . . 6433 1 621 . 1 1 84 84 MET CB C 13 34.88 0.1 . 1 . . . . . . . . 6433 1 622 . 1 1 84 84 MET HB2 H 1 1.84 0.02 . 2 . . . . . . . . 6433 1 623 . 1 1 84 84 MET C C 13 177.03 0.1 . 1 . . . . . . . . 6433 1 624 . 1 1 85 85 ASP N N 15 118.52 0.1 . 1 . . . . . . . . 6433 1 625 . 1 1 85 85 ASP H H 1 7.64 0.02 . 1 . . . . . . . . 6433 1 626 . 1 1 85 85 ASP CA C 13 52.22 0.1 . 1 . . . . . . . . 6433 1 627 . 1 1 85 85 ASP HA H 1 4.35 0.02 . 1 . . . . . . . . 6433 1 628 . 1 1 85 85 ASP CB C 13 37.27 0.1 . 1 . . . . . . . . 6433 1 629 . 1 1 85 85 ASP HB2 H 1 2.52 0.02 . 2 . . . . . . . . 6433 1 630 . 1 1 85 85 ASP C C 13 177.25 0.1 . 1 . . . . . . . . 6433 1 631 . 1 1 86 86 ALA N N 15 129.28 0.1 . 1 . . . . . . . . 6433 1 632 . 1 1 86 86 ALA H H 1 7.56 0.02 . 1 . . . . . . . . 6433 1 633 . 1 1 86 86 ALA CA C 13 54.47 0.1 . 1 . . . . . . . . 6433 1 634 . 1 1 86 86 ALA HA H 1 4.35 0.02 . 1 . . . . . . . . 6433 1 635 . 1 1 86 86 ALA CB C 13 18.21 0.1 . 1 . . . . . . . . 6433 1 636 . 1 1 86 86 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 6433 1 637 . 1 1 86 86 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 6433 1 638 . 1 1 86 86 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 6433 1 639 . 1 1 86 86 ALA C C 13 178.55 0.1 . 1 . . . . . . . . 6433 1 640 . 1 1 87 87 ASP N N 15 113.03 0.1 . 1 . . . . . . . . 6433 1 641 . 1 1 87 87 ASP H H 1 7.79 0.02 . 1 . . . . . . . . 6433 1 642 . 1 1 87 87 ASP CA C 13 51.75 0.1 . 1 . . . . . . . . 6433 1 643 . 1 1 87 87 ASP HA H 1 4.60 0.02 . 1 . . . . . . . . 6433 1 644 . 1 1 87 87 ASP CB C 13 38.77 0.1 . 1 . . . . . . . . 6433 1 645 . 1 1 87 87 ASP HB2 H 1 2.99 0.02 . 2 . . . . . . . . 6433 1 646 . 1 1 87 87 ASP HB3 H 1 2.63 0.02 . 2 . . . . . . . . 6433 1 647 . 1 1 87 87 ASP C C 13 177.70 0.1 . 1 . . . . . . . . 6433 1 648 . 1 1 88 88 GLY N N 15 108.36 0.1 . 1 . . . . . . . . 6433 1 649 . 1 1 88 88 GLY H H 1 7.89 0.02 . 1 . . . . . . . . 6433 1 650 . 1 1 88 88 GLY CA C 13 45.43 0.1 . 1 . . . . . . . . 6433 1 651 . 1 1 88 88 GLY HA2 H 1 3.82 0.02 . 2 . . . . . . . . 6433 1 652 . 1 1 88 88 GLY C C 13 174.85 0.1 . 1 . . . . . . . . 6433 1 653 . 1 1 89 89 ASP N N 15 118.23 0.1 . 1 . . . . . . . . 6433 1 654 . 1 1 89 89 ASP H H 1 8.00 0.02 . 1 . . . . . . . . 6433 1 655 . 1 1 89 89 ASP CA C 13 52.45 0.1 . 1 . . . . . . . . 6433 1 656 . 1 1 89 89 ASP HA H 1 4.40 0.02 . 1 . . . . . . . . 6433 1 657 . 1 1 89 89 ASP CB C 13 39.06 0.1 . 1 . . . . . . . . 6433 1 658 . 1 1 89 89 ASP HB2 H 1 2.36 0.02 . 2 . . . . . . . . 6433 1 659 . 1 1 89 89 ASP HB3 H 1 2.90 0.02 . 2 . . . . . . . . 6433 1 660 . 1 1 89 89 ASP C C 13 177.64 0.1 . 1 . . . . . . . . 6433 1 661 . 1 1 90 90 GLY N N 15 114.04 0.1 . 1 . . . . . . . . 6433 1 662 . 1 1 90 90 GLY H H 1 10.59 0.02 . 1 . . . . . . . . 6433 1 663 . 1 1 90 90 GLY CA C 13 45.66 0.1 . 1 . . . . . . . . 6433 1 664 . 1 1 90 90 GLY HA2 H 1 3.67 0.02 . 2 . . . . . . . . 6433 1 665 . 1 1 90 90 GLY HA3 H 1 3.98 0.02 . 2 . . . . . . . . 6433 1 666 . 1 1 90 90 GLY C C 13 174.07 0.1 . 1 . . . . . . . . 6433 1 667 . 1 1 91 91 LYS N N 15 119.23 0.1 . 1 . . . . . . . . 6433 1 668 . 1 1 91 91 LYS H H 1 7.94 0.02 . 1 . . . . . . . . 6433 1 669 . 1 1 91 91 LYS CA C 13 54.33 0.1 . 1 . . . . . . . . 6433 1 670 . 1 1 91 91 LYS HA H 1 4.24 0.02 . 1 . . . . . . . . 6433 1 671 . 1 1 91 91 LYS CB C 13 33.11 0.1 . 1 . . . . . . . . 6433 1 672 . 1 1 91 91 LYS HB2 H 1 1.64 0.02 . 2 . . . . . . . . 6433 1 673 . 1 1 91 91 LYS HG2 H 1 0.86 0.02 . 2 . . . . . . . . 6433 1 674 . 1 1 91 91 LYS HG3 H 1 0.55 0.02 . 2 . . . . . . . . 6433 1 675 . 1 1 91 91 LYS HE2 H 1 2.32 0.02 . 2 . . . . . . . . 6433 1 676 . 1 1 91 91 LYS HZ1 H 1 6.27 0.1 . 1 . . . . . . . . 6433 1 677 . 1 1 91 91 LYS HZ2 H 1 6.27 0.1 . 1 . . . . . . . . 6433 1 678 . 1 1 91 91 LYS HZ3 H 1 6.27 0.1 . 1 . . . . . . . . 6433 1 679 . 1 1 91 91 LYS C C 13 174.13 0.1 . 1 . . . . . . . . 6433 1 680 . 1 1 92 92 LEU N N 15 127.13 0.1 . 1 . . . . . . . . 6433 1 681 . 1 1 92 92 LEU H H 1 8.47 0.02 . 1 . . . . . . . . 6433 1 682 . 1 1 92 92 LEU CA C 13 52.92 0.1 . 1 . . . . . . . . 6433 1 683 . 1 1 92 92 LEU HA H 1 5.18 0.02 . 1 . . . . . . . . 6433 1 684 . 1 1 92 92 LEU CB C 13 41.74 0.1 . 1 . . . . . . . . 6433 1 685 . 1 1 92 92 LEU HB2 H 1 2.58 0.02 . 2 . . . . . . . . 6433 1 686 . 1 1 92 92 LEU HG H 1 2.58 0.02 . 1 . . . . . . . . 6433 1 687 . 1 1 92 92 LEU HD11 H 1 1.17 0.02 . 2 . . . . . . . . 6433 1 688 . 1 1 92 92 LEU HD12 H 1 1.17 0.02 . 2 . . . . . . . . 6433 1 689 . 1 1 92 92 LEU HD13 H 1 1.17 0.02 . 2 . . . . . . . . 6433 1 690 . 1 1 92 92 LEU C C 13 176.82 0.1 . 1 . . . . . . . . 6433 1 691 . 1 1 93 93 THR N N 15 116.97 0.1 . 1 . . . . . . . . 6433 1 692 . 1 1 93 93 THR H H 1 8.75 0.02 . 1 . . . . . . . . 6433 1 693 . 1 1 93 93 THR CA C 13 59.01 0.1 . 1 . . . . . . . . 6433 1 694 . 1 1 93 93 THR HA H 1 4.66 0.02 . 1 . . . . . . . . 6433 1 695 . 1 1 93 93 THR CB C 13 70.33 0.1 . 1 . . . . . . . . 6433 1 696 . 1 1 93 93 THR HB H 1 4.66 0.02 . 1 . . . . . . . . 6433 1 697 . 1 1 93 93 THR HG21 H 1 1.27 0.02 . 4 . . . . . . . . 6433 1 698 . 1 1 93 93 THR HG22 H 1 1.27 0.02 . 4 . . . . . . . . 6433 1 699 . 1 1 93 93 THR HG23 H 1 1.27 0.02 . 4 . . . . . . . . 6433 1 700 . 1 1 93 93 THR C C 13 175.13 0.1 . 1 . . . . . . . . 6433 1 701 . 1 1 94 94 LYS N N 15 121.39 0.1 . 1 . . . . . . . . 6433 1 702 . 1 1 94 94 LYS H H 1 9.21 0.02 . 1 . . . . . . . . 6433 1 703 . 1 1 94 94 LYS CA C 13 59.25 0.1 . 1 . . . . . . . . 6433 1 704 . 1 1 94 94 LYS HA H 1 4.20 0.02 . 1 . . . . . . . . 6433 1 705 . 1 1 94 94 LYS CB C 13 31.61 0.1 . 1 . . . . . . . . 6433 1 706 . 1 1 94 94 LYS HB2 H 1 1.85 0.02 . 2 . . . . . . . . 6433 1 707 . 1 1 94 94 LYS HG2 H 1 1.27 0.02 . 2 . . . . . . . . 6433 1 708 . 1 1 94 94 LYS HD2 H 1 1.64 0.02 . 2 . . . . . . . . 6433 1 709 . 1 1 94 94 LYS HE2 H 1 2.73 0.02 . 2 . . . . . . . . 6433 1 710 . 1 1 94 94 LYS C C 13 179.91 0.1 . 1 . . . . . . . . 6433 1 711 . 1 1 95 95 GLU N N 15 121.27 0.1 . 1 . . . . . . . . 6433 1 712 . 1 1 95 95 GLU H H 1 8.73 0.02 . 1 . . . . . . . . 6433 1 713 . 1 1 95 95 GLU CA C 13 59.55 0.1 . 1 . . . . . . . . 6433 1 714 . 1 1 95 95 GLU HA H 1 4.09 0.02 . 1 . . . . . . . . 6433 1 715 . 1 1 95 95 GLU CB C 13 28.05 0.1 . 1 . . . . . . . . 6433 1 716 . 1 1 95 95 GLU HB2 H 1 2.11 0.02 . 2 . . . . . . . . 6433 1 717 . 1 1 95 95 GLU HG2 H 1 2.36 0.02 . 2 . . . . . . . . 6433 1 718 . 1 1 95 95 GLU C C 13 179.08 0.1 . 1 . . . . . . . . 6433 1 719 . 1 1 96 96 GLU N N 15 121.63 0.1 . 1 . . . . . . . . 6433 1 720 . 1 1 96 96 GLU H H 1 7.85 0.02 . 1 . . . . . . . . 6433 1 721 . 1 1 96 96 GLU CA C 13 58.71 0.1 . 1 . . . . . . . . 6433 1 722 . 1 1 96 96 GLU HA H 1 3.98 0.02 . 1 . . . . . . . . 6433 1 723 . 1 1 96 96 GLU CB C 13 28.93 0.1 . 1 . . . . . . . . 6433 1 724 . 1 1 96 96 GLU HB2 H 1 2.47 0.02 . 2 . . . . . . . . 6433 1 725 . 1 1 96 96 GLU HG2 H 1 2.16 0.02 . 2 . . . . . . . . 6433 1 726 . 1 1 96 96 GLU C C 13 180.42 0.1 . 1 . . . . . . . . 6433 1 727 . 1 1 97 97 VAL N N 15 120.91 0.1 . 1 . . . . . . . . 6433 1 728 . 1 1 97 97 VAL H H 1 8.42 0.02 . 1 . . . . . . . . 6433 1 729 . 1 1 97 97 VAL CA C 13 66.28 0.1 . 1 . . . . . . . . 6433 1 730 . 1 1 97 97 VAL HA H 1 3.61 0.02 . 1 . . . . . . . . 6433 1 731 . 1 1 97 97 VAL CB C 13 31.32 0.1 . 1 . . . . . . . . 6433 1 732 . 1 1 97 97 VAL HB H 1 2.20 0.02 . 1 . . . . . . . . 6433 1 733 . 1 1 97 97 VAL HG11 H 1 1.01 0.02 . 2 . . . . . . . . 6433 1 734 . 1 1 97 97 VAL HG12 H 1 1.01 0.02 . 2 . . . . . . . . 6433 1 735 . 1 1 97 97 VAL HG13 H 1 1.01 0.02 . 2 . . . . . . . . 6433 1 736 . 1 1 97 97 VAL C C 13 177.58 0.1 . 1 . . . . . . . . 6433 1 737 . 1 1 98 98 THR N N 15 115.65 0.1 . 1 . . . . . . . . 6433 1 738 . 1 1 98 98 THR H H 1 8.71 0.02 . 1 . . . . . . . . 6433 1 739 . 1 1 98 98 THR CA C 13 66.51 0.1 . 1 . . . . . . . . 6433 1 740 . 1 1 98 98 THR HA H 1 4.30 0.02 . 1 . . . . . . . . 6433 1 741 . 1 1 98 98 THR CB C 13 67.95 0.1 . 1 . . . . . . . . 6433 1 742 . 1 1 98 98 THR HB H 1 3.93 0.02 . 1 . . . . . . . . 6433 1 743 . 1 1 98 98 THR HG21 H 1 1.22 0.02 . 4 . . . . . . . . 6433 1 744 . 1 1 98 98 THR HG22 H 1 1.22 0.02 . 4 . . . . . . . . 6433 1 745 . 1 1 98 98 THR HG23 H 1 1.22 0.02 . 4 . . . . . . . . 6433 1 746 . 1 1 98 98 THR C C 13 176.08 0.1 . 1 . . . . . . . . 6433 1 747 . 1 1 99 99 THR N N 15 117.08 0.1 . 1 . . . . . . . . 6433 1 748 . 1 1 99 99 THR H H 1 8.42 0.02 . 1 . . . . . . . . 6433 1 749 . 1 1 99 99 THR CA C 13 66.05 0.1 . 1 . . . . . . . . 6433 1 750 . 1 1 99 99 THR HA H 1 4.20 0.02 . 1 . . . . . . . . 6433 1 751 . 1 1 99 99 THR CB C 13 68.24 0.1 . 1 . . . . . . . . 6433 1 752 . 1 1 99 99 THR HB H 1 3.70 0.02 . 1 . . . . . . . . 6433 1 753 . 1 1 99 99 THR HG21 H 1 1.22 0.02 . 4 . . . . . . . . 6433 1 754 . 1 1 99 99 THR HG22 H 1 1.22 0.02 . 4 . . . . . . . . 6433 1 755 . 1 1 99 99 THR HG23 H 1 1.22 0.02 . 4 . . . . . . . . 6433 1 756 . 1 1 99 99 THR C C 13 175.73 0.1 . 1 . . . . . . . . 6433 1 757 . 1 1 100 100 PHE N N 15 120.67 0.1 . 1 . . . . . . . . 6433 1 758 . 1 1 100 100 PHE H H 1 7.65 0.02 . 1 . . . . . . . . 6433 1 759 . 1 1 100 100 PHE CA C 13 60.88 0.1 . 1 . . . . . . . . 6433 1 760 . 1 1 100 100 PHE HA H 1 4.04 0.02 . 1 . . . . . . . . 6433 1 761 . 1 1 100 100 PHE CB C 13 38.17 0.1 . 1 . . . . . . . . 6433 1 762 . 1 1 100 100 PHE HB2 H 1 2.94 0.02 . 2 . . . . . . . . 6433 1 763 . 1 1 100 100 PHE HB3 H 1 2.47 0.02 . 2 . . . . . . . . 6433 1 764 . 1 1 100 100 PHE HD1 H 1 6.48 0.02 . 3 . . . . . . . . 6433 1 765 . 1 1 100 100 PHE C C 13 175.99 0.1 . 1 . . . . . . . . 6433 1 766 . 1 1 101 101 PHE N N 15 113.03 0.1 . 1 . . . . . . . . 6433 1 767 . 1 1 101 101 PHE H H 1 8.14 0.02 . 1 . . . . . . . . 6433 1 768 . 1 1 101 101 PHE CA C 13 61.10 0.1 . 1 . . . . . . . . 6433 1 769 . 1 1 101 101 PHE HA H 1 3.88 0.02 . 1 . . . . . . . . 6433 1 770 . 1 1 101 101 PHE CB C 13 37.87 0.1 . 1 . . . . . . . . 6433 1 771 . 1 1 101 101 PHE HB2 H 1 2.00 0.02 . 2 . . . . . . . . 6433 1 772 . 1 1 101 101 PHE C C 13 179.12 0.1 . 1 . . . . . . . . 6433 1 773 . 1 1 102 102 LYS N N 15 120.91 0.1 . 1 . . . . . . . . 6433 1 774 . 1 1 102 102 LYS H H 1 8.65 0.02 . 1 . . . . . . . . 6433 1 775 . 1 1 102 102 LYS CA C 13 58.71 0.1 . 1 . . . . . . . . 6433 1 776 . 1 1 102 102 LYS HA H 1 4.09 0.02 . 1 . . . . . . . . 6433 1 777 . 1 1 102 102 LYS CB C 13 31.36 0.1 . 1 . . . . . . . . 6433 1 778 . 1 1 102 102 LYS HB2 H 1 1.90 0.02 . 2 . . . . . . . . 6433 1 779 . 1 1 102 102 LYS HG2 H 1 1.53 0.02 . 2 . . . . . . . . 6433 1 780 . 1 1 102 102 LYS C C 13 179.11 0.1 . 1 . . . . . . . . 6433 1 781 . 1 1 103 103 LYS N N 15 118.14 0.1 . 1 . . . . . . . . 6433 1 782 . 1 1 103 103 LYS H H 1 7.07 0.02 . 1 . . . . . . . . 6433 1 783 . 1 1 103 103 LYS CA C 13 57.82 0.1 . 1 . . . . . . . . 6433 1 784 . 1 1 103 103 LYS HA H 1 3.83 0.02 . 1 . . . . . . . . 6433 1 785 . 1 1 103 103 LYS CB C 13 31.31 0.1 . 1 . . . . . . . . 6433 1 786 . 1 1 103 103 LYS HB2 H 1 1.27 0.02 . 2 . . . . . . . . 6433 1 787 . 1 1 103 103 LYS HG2 H 1 1.07 0.02 . 2 . . . . . . . . 6433 1 788 . 1 1 103 103 LYS HG3 H 1 0.85 0.02 . 2 . . . . . . . . 6433 1 789 . 1 1 103 103 LYS HD2 H 1 1.85 0.02 . 2 . . . . . . . . 6433 1 790 . 1 1 103 103 LYS HE2 H 1 3.25 0.02 . 2 . . . . . . . . 6433 1 791 . 1 1 103 103 LYS C C 13 176.97 0.1 . 1 . . . . . . . . 6433 1 792 . 1 1 104 104 PHE N N 15 113.26 0.1 . 1 . . . . . . . . 6433 1 793 . 1 1 104 104 PHE H H 1 6.72 0.02 . 1 . . . . . . . . 6433 1 794 . 1 1 104 104 PHE CA C 13 55.14 0.1 . 1 . . . . . . . . 6433 1 795 . 1 1 104 104 PHE HA H 1 4.76 0.02 . 1 . . . . . . . . 6433 1 796 . 1 1 104 104 PHE CB C 13 39.06 0.1 . 1 . . . . . . . . 6433 1 797 . 1 1 104 104 PHE HB2 H 1 2.42 0.02 . 2 . . . . . . . . 6433 1 798 . 1 1 104 104 PHE HB3 H 1 3.14 0.02 . 2 . . . . . . . . 6433 1 799 . 1 1 104 104 PHE HD1 H 1 7.10 0.02 . 3 . . . . . . . . 6433 1 800 . 1 1 104 104 PHE C C 13 175.56 0.1 . 1 . . . . . . . . 6433 1 801 . 1 1 105 105 GLY N N 15 106.81 0.1 . 1 . . . . . . . . 6433 1 802 . 1 1 105 105 GLY H H 1 7.68 0.02 . 1 . . . . . . . . 6433 1 803 . 1 1 105 105 GLY CA C 13 45.90 0.1 . 1 . . . . . . . . 6433 1 804 . 1 1 105 105 GLY HA2 H 1 4.09 0.02 . 2 . . . . . . . . 6433 1 805 . 1 1 105 105 GLY C C 13 175.25 0.1 . 1 . . . . . . . . 6433 1 806 . 1 1 106 106 TYR N N 15 120.21 0.1 . 1 . . . . . . . . 6433 1 807 . 1 1 106 106 TYR H H 1 8.00 0.02 . 1 . . . . . . . . 6433 1 808 . 1 1 106 106 TYR CA C 13 55.26 0.1 . 1 . . . . . . . . 6433 1 809 . 1 1 106 106 TYR HA H 1 4.92 0.02 . 1 . . . . . . . . 6433 1 810 . 1 1 106 106 TYR CB C 13 37.87 0.1 . 1 . . . . . . . . 6433 1 811 . 1 1 106 106 TYR HB2 H 1 2.89 0.02 . 2 . . . . . . . . 6433 1 812 . 1 1 106 106 TYR HB3 H 1 3.41 0.02 . 2 . . . . . . . . 6433 1 813 . 1 1 106 106 TYR HD1 H 1 7.06 0.02 . 3 . . . . . . . . 6433 1 814 . 1 1 106 106 TYR HE1 H 1 6.69 0.02 . 3 . . . . . . . . 6433 1 815 . 1 1 106 106 TYR C C 13 176.09 0.1 . 1 . . . . . . . . 6433 1 816 . 1 1 107 107 GLU N N 15 120.91 0.1 . 1 . . . . . . . . 6433 1 817 . 1 1 107 107 GLU H H 1 9.03 0.02 . 1 . . . . . . . . 6433 1 818 . 1 1 107 107 GLU CA C 13 59.25 0.1 . 1 . . . . . . . . 6433 1 819 . 1 1 107 107 GLU HA H 1 3.98 0.02 . 1 . . . . . . . . 6433 1 820 . 1 1 107 107 GLU CB C 13 28.08 0.1 . 1 . . . . . . . . 6433 1 821 . 1 1 107 107 GLU HB2 H 1 2.06 0.02 . 2 . . . . . . . . 6433 1 822 . 1 1 107 107 GLU HG2 H 1 2.32 0.02 . 2 . . . . . . . . 6433 1 823 . 1 1 107 107 GLU C C 13 177.77 0.1 . 1 . . . . . . . . 6433 1 824 . 1 1 108 108 LYS N N 15 118.44 0.1 . 1 . . . . . . . . 6433 1 825 . 1 1 108 108 LYS H H 1 8.47 0.02 . 1 . . . . . . . . 6433 1 826 . 1 1 108 108 LYS CA C 13 57.81 0.1 . 1 . . . . . . . . 6433 1 827 . 1 1 108 108 LYS HA H 1 4.20 0.02 . 1 . . . . . . . . 6433 1 828 . 1 1 108 108 LYS CB C 13 31.31 0.1 . 1 . . . . . . . . 6433 1 829 . 1 1 108 108 LYS HB2 H 1 1.79 0.02 . 2 . . . . . . . . 6433 1 830 . 1 1 108 108 LYS HG2 H 1 1.38 0.02 . 2 . . . . . . . . 6433 1 831 . 1 1 108 108 LYS C C 13 177.56 0.1 . 1 . . . . . . . . 6433 1 832 . 1 1 109 109 VAL N N 15 115.89 0.1 . 1 . . . . . . . . 6433 1 833 . 1 1 109 109 VAL H H 1 7.54 0.02 . 1 . . . . . . . . 6433 1 834 . 1 1 109 109 VAL CA C 13 61.60 0.1 . 1 . . . . . . . . 6433 1 835 . 1 1 109 109 VAL HA H 1 4.09 0.02 . 1 . . . . . . . . 6433 1 836 . 1 1 109 109 VAL CB C 13 31.32 0.1 . 1 . . . . . . . . 6433 1 837 . 1 1 109 109 VAL HB H 1 1.90 0.02 . 1 . . . . . . . . 6433 1 838 . 1 1 109 109 VAL HG11 H 1 0.70 0.02 . 2 . . . . . . . . 6433 1 839 . 1 1 109 109 VAL HG12 H 1 0.70 0.02 . 2 . . . . . . . . 6433 1 840 . 1 1 109 109 VAL HG13 H 1 0.70 0.02 . 2 . . . . . . . . 6433 1 841 . 1 1 109 109 VAL C C 13 176.74 0.1 . 1 . . . . . . . . 6433 1 842 . 1 1 110 110 VAL N N 15 120.91 0.1 . 1 . . . . . . . . 6433 1 843 . 1 1 110 110 VAL H H 1 7.40 0.02 . 1 . . . . . . . . 6433 1 844 . 1 1 110 110 VAL CA C 13 66.28 0.1 . 1 . . . . . . . . 6433 1 845 . 1 1 110 110 VAL HA H 1 3.15 0.02 . 1 . . . . . . . . 6433 1 846 . 1 1 110 110 VAL CB C 13 31.02 0.1 . 1 . . . . . . . . 6433 1 847 . 1 1 110 110 VAL HB H 1 2.11 0.02 . 1 . . . . . . . . 6433 1 848 . 1 1 110 110 VAL HG11 H 1 0.86 0.02 . 2 . . . . . . . . 6433 1 849 . 1 1 110 110 VAL HG12 H 1 0.86 0.02 . 2 . . . . . . . . 6433 1 850 . 1 1 110 110 VAL HG13 H 1 0.86 0.02 . 2 . . . . . . . . 6433 1 851 . 1 1 110 110 VAL C C 13 176.98 0.1 . 1 . . . . . . . . 6433 1 852 . 1 1 111 111 ASP N N 15 116.37 0.1 . 1 . . . . . . . . 6433 1 853 . 1 1 111 111 ASP H H 1 8.04 0.02 . 1 . . . . . . . . 6433 1 854 . 1 1 111 111 ASP CA C 13 56.43 0.1 . 1 . . . . . . . . 6433 1 855 . 1 1 111 111 ASP HA H 1 4.26 0.02 . 1 . . . . . . . . 6433 1 856 . 1 1 111 111 ASP CB C 13 39.30 0.1 . 1 . . . . . . . . 6433 1 857 . 1 1 111 111 ASP HB2 H 1 2.57 0.02 . 2 . . . . . . . . 6433 1 858 . 1 1 111 111 ASP C C 13 178.28 0.1 . 1 . . . . . . . . 6433 1 859 . 1 1 112 112 GLN N N 15 117.33 0.1 . 1 . . . . . . . . 6433 1 860 . 1 1 112 112 GLN H H 1 7.44 0.02 . 1 . . . . . . . . 6433 1 861 . 1 1 112 112 GLN CA C 13 57.38 0.1 . 1 . . . . . . . . 6433 1 862 . 1 1 112 112 GLN HA H 1 4.14 0.02 . 1 . . . . . . . . 6433 1 863 . 1 1 112 112 GLN CB C 13 27.74 0.1 . 1 . . . . . . . . 6433 1 864 . 1 1 112 112 GLN HB2 H 1 2.16 0.02 . 2 . . . . . . . . 6433 1 865 . 1 1 112 112 GLN HG2 H 1 2.42 0.02 . 2 . . . . . . . . 6433 1 866 . 1 1 112 112 GLN C C 13 178.19 0.1 . 1 . . . . . . . . 6433 1 867 . 1 1 113 113 ILE N N 15 119.24 0.1 . 1 . . . . . . . . 6433 1 868 . 1 1 113 113 ILE H H 1 7.78 0.02 . 1 . . . . . . . . 6433 1 869 . 1 1 113 113 ILE CA C 13 62.06 0.1 . 1 . . . . . . . . 6433 1 870 . 1 1 113 113 ILE HA H 1 3.67 0.02 . 1 . . . . . . . . 6433 1 871 . 1 1 113 113 ILE CB C 13 35.18 0.1 . 1 . . . . . . . . 6433 1 872 . 1 1 113 113 ILE HB H 1 1.95 0.02 . 1 . . . . . . . . 6433 1 873 . 1 1 113 113 ILE HG12 H 1 1.43 0.02 . 2 . . . . . . . . 6433 1 874 . 1 1 113 113 ILE HG13 H 1 1.12 0.02 . 2 . . . . . . . . 6433 1 875 . 1 1 113 113 ILE HG21 H 1 0.86 0.02 . 4 . . . . . . . . 6433 1 876 . 1 1 113 113 ILE HG22 H 1 0.86 0.02 . 4 . . . . . . . . 6433 1 877 . 1 1 113 113 ILE HG23 H 1 0.86 0.02 . 4 . . . . . . . . 6433 1 878 . 1 1 113 113 ILE HD11 H 1 0.86 0.02 . 4 . . . . . . . . 6433 1 879 . 1 1 113 113 ILE HD12 H 1 0.86 0.02 . 4 . . . . . . . . 6433 1 880 . 1 1 113 113 ILE HD13 H 1 0.86 0.02 . 4 . . . . . . . . 6433 1 881 . 1 1 113 113 ILE C C 13 177.70 0.1 . 1 . . . . . . . . 6433 1 882 . 1 1 114 114 MET N N 15 113.86 0.1 . 1 . . . . . . . . 6433 1 883 . 1 1 114 114 MET H H 1 7.91 0.02 . 1 . . . . . . . . 6433 1 884 . 1 1 114 114 MET CA C 13 54.54 0.1 . 1 . . . . . . . . 6433 1 885 . 1 1 114 114 MET HA H 1 4.40 0.02 . 1 . . . . . . . . 6433 1 886 . 1 1 114 114 MET CB C 13 28.04 0.1 . 1 . . . . . . . . 6433 1 887 . 1 1 114 114 MET HB2 H 1 2.16 0.02 . 2 . . . . . . . . 6433 1 888 . 1 1 114 114 MET HG2 H 1 2.68 0.02 . 2 . . . . . . . . 6433 1 889 . 1 1 114 114 MET C C 13 179.51 0.1 . 1 . . . . . . . . 6433 1 890 . 1 1 115 115 LYS N N 15 119.96 0.1 . 1 . . . . . . . . 6433 1 891 . 1 1 115 115 LYS H H 1 7.34 0.02 . 1 . . . . . . . . 6433 1 892 . 1 1 115 115 LYS CA C 13 56.92 0.1 . 1 . . . . . . . . 6433 1 893 . 1 1 115 115 LYS HA H 1 3.98 0.02 . 1 . . . . . . . . 6433 1 894 . 1 1 115 115 LYS CB C 13 31.02 0.1 . 1 . . . . . . . . 6433 1 895 . 1 1 115 115 LYS HB2 H 1 1.9 0.02 . 2 . . . . . . . . 6433 1 896 . 1 1 115 115 LYS HB3 H 1 1.74 0.02 . 2 . . . . . . . . 6433 1 897 . 1 1 115 115 LYS HG2 H 1 1.43 0.02 . 2 . . . . . . . . 6433 1 898 . 1 1 115 115 LYS C C 13 176.75 0.1 . 1 . . . . . . . . 6433 1 899 . 1 1 116 116 ALA N N 15 119.48 0.1 . 1 . . . . . . . . 6433 1 900 . 1 1 116 116 ALA H H 1 7.81 0.02 . 1 . . . . . . . . 6433 1 901 . 1 1 116 116 ALA CA C 13 52.22 0.1 . 1 . . . . . . . . 6433 1 902 . 1 1 116 116 ALA HA H 1 3.67 0.02 . 1 . . . . . . . . 6433 1 903 . 1 1 116 116 ALA CB C 13 17.62 0.1 . 1 . . . . . . . . 6433 1 904 . 1 1 116 116 ALA HB1 H 1 1.12 0.02 . 1 . . . . . . . . 6433 1 905 . 1 1 116 116 ALA HB2 H 1 1.12 0.02 . 1 . . . . . . . . 6433 1 906 . 1 1 116 116 ALA HB3 H 1 1.12 0.02 . 1 . . . . . . . . 6433 1 907 . 1 1 116 116 ALA C C 13 178.06 0.1 . 1 . . . . . . . . 6433 1 908 . 1 1 117 117 ASP N N 15 115.42 0.1 . 1 . . . . . . . . 6433 1 909 . 1 1 117 117 ASP H H 1 7.29 0.02 . 1 . . . . . . . . 6433 1 910 . 1 1 117 117 ASP CA C 13 51.98 0.1 . 1 . . . . . . . . 6433 1 911 . 1 1 117 117 ASP HA H 1 4.50 0.02 . 1 . . . . . . . . 6433 1 912 . 1 1 117 117 ASP CB C 13 37.57 0.1 . 1 . . . . . . . . 6433 1 913 . 1 1 117 117 ASP HB2 H 1 2.90 0.02 . 2 . . . . . . . . 6433 1 914 . 1 1 117 117 ASP HB3 H 1 2.10 0.02 . 2 . . . . . . . . 6433 1 915 . 1 1 117 117 ASP C C 13 175.81 0.1 . 1 . . . . . . . . 6433 1 916 . 1 1 118 118 ALA N N 15 131.91 0.1 . 1 . . . . . . . . 6433 1 917 . 1 1 118 118 ALA H H 1 7.78 0.02 . 1 . . . . . . . . 6433 1 918 . 1 1 118 118 ALA CA C 13 53.62 0.1 . 1 . . . . . . . . 6433 1 919 . 1 1 118 118 ALA HA H 1 4.09 0.02 . 1 . . . . . . . . 6433 1 920 . 1 1 118 118 ALA CB C 13 18.78 0.1 . 1 . . . . . . . . 6433 1 921 . 1 1 118 118 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 6433 1 922 . 1 1 118 118 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 6433 1 923 . 1 1 118 118 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 6433 1 924 . 1 1 118 118 ALA C C 13 178.33 0.1 . 1 . . . . . . . . 6433 1 925 . 1 1 119 119 ASN N N 15 111.59 0.1 . 1 . . . . . . . . 6433 1 926 . 1 1 119 119 ASN H H 1 7.91 0.02 . 1 . . . . . . . . 6433 1 927 . 1 1 119 119 ASN CA C 13 50.81 0.1 . 1 . . . . . . . . 6433 1 928 . 1 1 119 119 ASN HA H 1 4.71 0.02 . 1 . . . . . . . . 6433 1 929 . 1 1 119 119 ASN CB C 13 36.38 0.1 . 1 . . . . . . . . 6433 1 930 . 1 1 119 119 ASN HB2 H 1 2.84 0.02 . 2 . . . . . . . . 6433 1 931 . 1 1 119 119 ASN HB3 H 1 3.20 0.02 . 2 . . . . . . . . 6433 1 932 . 1 1 119 119 ASN C C 13 176.43 0.1 . 1 . . . . . . . . 6433 1 933 . 1 1 120 120 GLY N N 15 109.20 0.1 . 1 . . . . . . . . 6433 1 934 . 1 1 120 120 GLY H H 1 7.46 0.02 . 1 . . . . . . . . 6433 1 935 . 1 1 120 120 GLY CA C 13 46.60 0.1 . 1 . . . . . . . . 6433 1 936 . 1 1 120 120 GLY HA2 H 1 3.77 0.02 . 2 . . . . . . . . 6433 1 937 . 1 1 120 120 GLY C C 13 174.85 0.1 . 1 . . . . . . . . 6433 1 938 . 1 1 121 121 ASP N N 15 118.74 0.1 . 1 . . . . . . . . 6433 1 939 . 1 1 121 121 ASP H H 1 7.90 0.02 . 1 . . . . . . . . 6433 1 940 . 1 1 121 121 ASP CA C 13 52.92 0.1 . 1 . . . . . . . . 6433 1 941 . 1 1 121 121 ASP HA H 1 4.40 0.02 . 1 . . . . . . . . 6433 1 942 . 1 1 121 121 ASP CB C 13 39.36 0.1 . 1 . . . . . . . . 6433 1 943 . 1 1 121 121 ASP HB2 H 1 2.32 0.02 . 2 . . . . . . . . 6433 1 944 . 1 1 121 121 ASP HB3 H 1 2.99 0.02 . 2 . . . . . . . . 6433 1 945 . 1 1 121 121 ASP C C 13 176.61 0.1 . 1 . . . . . . . . 6433 1 946 . 1 1 122 122 GLY N N 15 110.64 0.1 . 1 . . . . . . . . 6433 1 947 . 1 1 122 122 GLY H H 1 9.80 0.02 . 1 . . . . . . . . 6433 1 948 . 1 1 122 122 GLY CA C 13 44.25 0.1 . 1 . . . . . . . . 6433 1 949 . 1 1 122 122 GLY HA2 H 1 4.13 0.02 . 2 . . . . . . . . 6433 1 950 . 1 1 122 122 GLY HA3 H 1 3.35 0.02 . 2 . . . . . . . . 6433 1 951 . 1 1 122 122 GLY C C 13 173.11 0.1 . 1 . . . . . . . . 6433 1 952 . 1 1 123 123 TYR N N 15 115.66 0.1 . 1 . . . . . . . . 6433 1 953 . 1 1 123 123 TYR H H 1 7.61 0.02 . 1 . . . . . . . . 6433 1 954 . 1 1 123 123 TYR CA C 13 53.86 0.1 . 1 . . . . . . . . 6433 1 955 . 1 1 123 123 TYR HA H 1 5.23 0.02 . 1 . . . . . . . . 6433 1 956 . 1 1 123 123 TYR CB C 13 40.25 0.1 . 1 . . . . . . . . 6433 1 957 . 1 1 123 123 TYR HB2 H 1 2.62 0.02 . 2 . . . . . . . . 6433 1 958 . 1 1 123 123 TYR HB3 H 1 2.52 0.02 . 2 . . . . . . . . 6433 1 959 . 1 1 123 123 TYR HD1 H 1 7.06 0.02 . 3 . . . . . . . . 6433 1 960 . 1 1 123 123 TYR HE1 H 1 6.64 0.02 . 3 . . . . . . . . 6433 1 961 . 1 1 123 123 TYR C C 13 174.69 0.1 . 1 . . . . . . . . 6433 1 962 . 1 1 124 124 ILE N N 15 124.74 0.1 . 1 . . . . . . . . 6433 1 963 . 1 1 124 124 ILE H H 1 9.74 0.02 . 1 . . . . . . . . 6433 1 964 . 1 1 124 124 ILE CA C 13 58.54 0.1 . 1 . . . . . . . . 6433 1 965 . 1 1 124 124 ILE HA H 1 5.23 0.02 . 1 . . . . . . . . 6433 1 966 . 1 1 124 124 ILE CB C 13 39.96 0.1 . 1 . . . . . . . . 6433 1 967 . 1 1 124 124 ILE HB H 1 1.90 0.02 . 1 . . . . . . . . 6433 1 968 . 1 1 124 124 ILE HG12 H 1 1.48 0.02 . 2 . . . . . . . . 6433 1 969 . 1 1 124 124 ILE HG13 H 1 1.17 0.02 . 2 . . . . . . . . 6433 1 970 . 1 1 124 124 ILE HG21 H 1 0.86 0.02 . 4 . . . . . . . . 6433 1 971 . 1 1 124 124 ILE HG22 H 1 0.86 0.02 . 4 . . . . . . . . 6433 1 972 . 1 1 124 124 ILE HG23 H 1 0.86 0.02 . 4 . . . . . . . . 6433 1 973 . 1 1 124 124 ILE HD11 H 1 0.60 0.02 . 4 . . . . . . . . 6433 1 974 . 1 1 124 124 ILE HD12 H 1 0.60 0.02 . 4 . . . . . . . . 6433 1 975 . 1 1 124 124 ILE HD13 H 1 0.60 0.02 . 4 . . . . . . . . 6433 1 976 . 1 1 124 124 ILE C C 13 178.48 0.1 . 1 . . . . . . . . 6433 1 977 . 1 1 125 125 THR N N 15 124.50 0.1 . 1 . . . . . . . . 6433 1 978 . 1 1 125 125 THR H H 1 9.62 0.02 . 1 . . . . . . . . 6433 1 979 . 1 1 125 125 THR CA C 13 60.19 0.1 . 1 . . . . . . . . 6433 1 980 . 1 1 125 125 THR HA H 1 4.61 0.02 . 1 . . . . . . . . 6433 1 981 . 1 1 125 125 THR CB C 13 69.44 0.1 . 1 . . . . . . . . 6433 1 982 . 1 1 125 125 THR HB H 1 4.82 0.02 . 1 . . . . . . . . 6433 1 983 . 1 1 125 125 THR HG1 H 1 1.48 0.02 . 1 . . . . . . . . 6433 1 984 . 1 1 125 125 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 6433 1 985 . 1 1 125 125 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 6433 1 986 . 1 1 125 125 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 6433 1 987 . 1 1 125 125 THR C C 13 174.93 0.1 . 1 . . . . . . . . 6433 1 988 . 1 1 126 126 LEU N N 15 125.45 0.1 . 1 . . . . . . . . 6433 1 989 . 1 1 126 126 LEU H H 1 9.39 0.02 . 1 . . . . . . . . 6433 1 990 . 1 1 126 126 LEU CA C 13 57.82 0.1 . 1 . . . . . . . . 6433 1 991 . 1 1 126 126 LEU HA H 1 4.24 0.02 . 1 . . . . . . . . 6433 1 992 . 1 1 126 126 LEU CB C 13 40.66 0.1 . 1 . . . . . . . . 6433 1 993 . 1 1 126 126 LEU HB2 H 1 1.48 0.02 . 2 . . . . . . . . 6433 1 994 . 1 1 126 126 LEU HG H 1 1.48 0.02 . 1 . . . . . . . . 6433 1 995 . 1 1 126 126 LEU HD11 H 1 0.75 0.02 . 2 . . . . . . . . 6433 1 996 . 1 1 126 126 LEU HD12 H 1 0.75 0.02 . 2 . . . . . . . . 6433 1 997 . 1 1 126 126 LEU HD13 H 1 0.75 0.02 . 2 . . . . . . . . 6433 1 998 . 1 1 126 126 LEU HD21 H 1 0.55 0.02 . 2 . . . . . . . . 6433 1 999 . 1 1 126 126 LEU HD22 H 1 0.55 0.02 . 2 . . . . . . . . 6433 1 1000 . 1 1 126 126 LEU HD23 H 1 0.55 0.02 . 2 . . . . . . . . 6433 1 1001 . 1 1 126 126 LEU C C 13 178.02 0.1 . 1 . . . . . . . . 6433 1 1002 . 1 1 127 127 GLU N N 15 115.89 0.1 . 1 . . . . . . . . 6433 1 1003 . 1 1 127 127 GLU H H 1 8.40 0.02 . 1 . . . . . . . . 6433 1 1004 . 1 1 127 127 GLU CA C 13 59.72 0.1 . 1 . . . . . . . . 6433 1 1005 . 1 1 127 127 GLU HA H 1 3.77 0.02 . 1 . . . . . . . . 6433 1 1006 . 1 1 127 127 GLU CB C 13 28.04 0.1 . 1 . . . . . . . . 6433 1 1007 . 1 1 127 127 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 6433 1 1008 . 1 1 127 127 GLU HG2 H 1 2.32 0.02 . 2 . . . . . . . . 6433 1 1009 . 1 1 127 127 GLU C C 13 180.17 0.1 . 1 . . . . . . . . 6433 1 1010 . 1 1 128 128 GLU N N 15 119.00 0.1 . 1 . . . . . . . . 6433 1 1011 . 1 1 128 128 GLU H H 1 7.76 0.02 . 1 . . . . . . . . 6433 1 1012 . 1 1 128 128 GLU CA C 13 58.31 0.1 . 1 . . . . . . . . 6433 1 1013 . 1 1 128 128 GLU HA H 1 4.03 0.02 . 1 . . . . . . . . 6433 1 1014 . 1 1 128 128 GLU CB C 13 28.93 0.1 . 1 . . . . . . . . 6433 1 1015 . 1 1 128 128 GLU HB2 H 1 2.57 0.02 . 2 . . . . . . . . 6433 1 1016 . 1 1 128 128 GLU HG2 H 1 1.90 0.02 . 2 . . . . . . . . 6433 1 1017 . 1 1 128 128 GLU C C 13 179.62 0.1 . 1 . . . . . . . . 6433 1 1018 . 1 1 129 129 PHE N N 15 122.11 0.1 . 1 . . . . . . . . 6433 1 1019 . 1 1 129 129 PHE H H 1 8.76 0.02 . 1 . . . . . . . . 6433 1 1020 . 1 1 129 129 PHE CA C 13 60.90 0.1 . 1 . . . . . . . . 6433 1 1021 . 1 1 129 129 PHE HA H 1 4.09 0.02 . 1 . . . . . . . . 6433 1 1022 . 1 1 129 129 PHE CB C 13 39.66 0.1 . 1 . . . . . . . . 6433 1 1023 . 1 1 129 129 PHE HB2 H 1 3.15 0.02 . 2 . . . . . . . . 6433 1 1024 . 1 1 129 129 PHE HD1 H 1 7.00 0.02 . 3 . . . . . . . . 6433 1 1025 . 1 1 129 129 PHE HE1 H 1 6.30 0.02 . 3 . . . . . . . . 6433 1 1026 . 1 1 129 129 PHE C C 13 176.97 0.1 . 1 . . . . . . . . 6433 1 1027 . 1 1 130 130 LEU N N 15 114.17 0.1 . 1 . . . . . . . . 6433 1 1028 . 1 1 130 130 LEU H H 1 8.57 0.02 . 1 . . . . . . . . 6433 1 1029 . 1 1 130 130 LEU CA C 13 55.73 0.1 . 1 . . . . . . . . 6433 1 1030 . 1 1 130 130 LEU HA H 1 3.98 0.02 . 1 . . . . . . . . 6433 1 1031 . 1 1 130 130 LEU CB C 13 40.24 0.1 . 1 . . . . . . . . 6433 1 1032 . 1 1 130 130 LEU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 6433 1 1033 . 1 1 130 130 LEU HG H 1 1.79 0.02 . 1 . . . . . . . . 6433 1 1034 . 1 1 130 130 LEU HD11 H 1 0.81 0.02 . 2 . . . . . . . . 6433 1 1035 . 1 1 130 130 LEU HD12 H 1 0.81 0.02 . 2 . . . . . . . . 6433 1 1036 . 1 1 130 130 LEU HD13 H 1 0.81 0.02 . 2 . . . . . . . . 6433 1 1037 . 1 1 130 130 LEU C C 13 177.88 0.1 . 1 . . . . . . . . 6433 1 1038 . 1 1 131 131 ALA N N 15 120.20 0.1 . 1 . . . . . . . . 6433 1 1039 . 1 1 131 131 ALA H H 1 7.39 0.02 . 1 . . . . . . . . 6433 1 1040 . 1 1 131 131 ALA CA C 13 51.58 0.1 . 1 . . . . . . . . 6433 1 1041 . 1 1 131 131 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 6433 1 1042 . 1 1 131 131 ALA CB C 13 18.51 0.1 . 1 . . . . . . . . 6433 1 1043 . 1 1 131 131 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 6433 1 1044 . 1 1 131 131 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 6433 1 1045 . 1 1 131 131 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 6433 1 1046 . 1 1 131 131 ALA C C 13 177.49 0.1 . 1 . . . . . . . . 6433 1 1047 . 1 1 132 132 PHE N N 15 119.71 0.1 . 1 . . . . . . . . 6433 1 1048 . 1 1 132 132 PHE H H 1 7.56 0.02 . 1 . . . . . . . . 6433 1 1049 . 1 1 132 132 PHE CA C 13 57.14 0.1 . 1 . . . . . . . . 6433 1 1050 . 1 1 132 132 PHE HA H 1 4.35 0.02 . 1 . . . . . . . . 6433 1 1051 . 1 1 132 132 PHE CB C 13 39.36 0.1 . 1 . . . . . . . . 6433 1 1052 . 1 1 132 132 PHE HB2 H 1 3.10 0.02 . 2 . . . . . . . . 6433 1 1053 . 1 1 132 132 PHE HB3 H 1 2.89 0.02 . 2 . . . . . . . . 6433 1 1054 . 1 1 132 132 PHE C C 13 174.18 0.1 . 1 . . . . . . . . 6433 1 1055 . 1 1 133 133 ASN N N 15 119.95 0.1 . 1 . . . . . . . . 6433 1 1056 . 1 1 133 133 ASN H H 1 7.23 0.02 . 1 . . . . . . . . 6433 1 1057 . 1 1 133 133 ASN CA C 13 51.75 0.1 . 1 . . . . . . . . 6433 1 1058 . 1 1 133 133 ASN HA H 1 4.40 0.02 . 1 . . . . . . . . 6433 1 1059 . 1 1 133 133 ASN CB C 13 38.76 0.1 . 1 . . . . . . . . 6433 1 1060 . 1 1 133 133 ASN HB2 H 1 2.57 0.02 . 2 . . . . . . . . 6433 1 1061 . 1 1 133 133 ASN HB3 H 1 2.31 0.02 . 2 . . . . . . . . 6433 1 1062 . 1 1 133 133 ASN C C 13 172.71 0.1 . 1 . . . . . . . . 6433 1 1063 . 1 1 134 134 LEU N N 15 128.02 0.1 . 1 . . . . . . . . 6433 1 1064 . 1 1 134 134 LEU H H 1 7.43 0.02 . 1 . . . . . . . . 6433 1 1065 . 1 1 134 134 LEU CA C 13 56.20 0.1 . 1 . . . . . . . . 6433 1 1066 . 1 1 134 134 LEU HA H 1 3.88 0.02 . 1 . . . . . . . . 6433 1 1067 . 1 1 134 134 LEU CB C 13 42.63 0.1 . 1 . . . . . . . . 6433 1 1068 . 1 1 134 134 LEU HB2 H 1 1.43 0.02 . 2 . . . . . . . . 6433 1 1069 . 1 1 134 134 LEU HG H 1 1.50 0.02 . 1 . . . . . . . . 6433 1 1070 . 1 1 134 134 LEU HD11 H 1 0.81 0.02 . 2 . . . . . . . . 6433 1 1071 . 1 1 134 134 LEU HD12 H 1 0.81 0.02 . 2 . . . . . . . . 6433 1 1072 . 1 1 134 134 LEU HD13 H 1 0.81 0.02 . 2 . . . . . . . . 6433 1 1073 . 1 1 134 134 LEU C C 13 180.93 0.1 . 1 . . . . . . . . 6433 1 stop_ save_