data_34541 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34541 _Entry.Title ; TFIIS N-terminal domain (TND) from human IWS1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-07-23 _Entry.Accession_date 2020-07-23 _Entry.Last_release_date 2020-07-27 _Entry.Original_release_date 2020-07-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 V. Veverka V. . . . 34541 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TRANSCRIPTION . 34541 'transcription elongation' . 34541 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34541 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 447 34541 '15N chemical shifts' 108 34541 '1H chemical shifts' 749 34541 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-06-15 2020-07-23 update BMRB 'update entry citation' 34541 1 . . 2021-11-28 2020-07-23 original author 'original release' 34541 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6ZV4 'BMRB Entry Tracking System' 34541 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34541 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34822292 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A ubiquitous disordered protein interaction module orchestrates transcription elongation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full 'Science (New York, N.Y.)' _Citation.Journal_volume 374 _Citation.Journal_issue 6571 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-9203 _Citation.Journal_CSD 0353 _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 1113 _Citation.Page_last 1121 _Citation.Year 2021 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Katerina Cermakova K. . . . 34541 1 2 Jonas Demeulemeester J. . . . 34541 1 3 Vanda Lux V. . . . 34541 1 4 Monika Nedomova M. . . . 34541 1 5 Seth Goldman S. R. . . 34541 1 6 Eric Smith E. A. . . 34541 1 7 Pavel Srb P. . . . 34541 1 8 Rozalie Hexnerova R. . . . 34541 1 9 Milan Fabry M. . . . 34541 1 10 Marcela Madlikova M. . . . 34541 1 11 Magdalena Horejsi M. . . . 34541 1 12 Jan 'De Rijck' J. . . . 34541 1 13 Zeger Debyser Z. . . . 34541 1 14 Karen Adelman K. . . . 34541 1 15 'H Courtney' Hodges H. C. . . 34541 1 16 Vaclav Veverka V. . . . 34541 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34541 _Assembly.ID 1 _Assembly.Name 'Transcription elongation factor A protein 1,Protein IWS1 homolog' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 unit_1 1 $entity_1 A A yes . . . . . . 34541 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34541 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEDEVVRFAKKMDKMVQKKN AAGALDLLKELKNIPMTLEL LQSTRIGMSVNAIRKQSTDE EVTSLAKSLIKSWKKLLDGG SGSGSGSGSSGELSDKKNEE KDLFGSDSESGNEEEN ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12600.160 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'IWS1-like protein' common 34541 1 'Transcription elongation factor S-II protein 1' common 34541 1 'Transcription elongation factor TFIIS.o' common 34541 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 . 34541 1 2 . GLU . 34541 1 3 . ASP . 34541 1 4 . GLU . 34541 1 5 . VAL . 34541 1 6 . VAL . 34541 1 7 . ARG . 34541 1 8 . PHE . 34541 1 9 . ALA . 34541 1 10 . LYS . 34541 1 11 . LYS . 34541 1 12 . MET . 34541 1 13 . ASP . 34541 1 14 . LYS . 34541 1 15 . MET . 34541 1 16 . VAL . 34541 1 17 . GLN . 34541 1 18 . LYS . 34541 1 19 . LYS . 34541 1 20 . ASN . 34541 1 21 . ALA . 34541 1 22 . ALA . 34541 1 23 . GLY . 34541 1 24 . ALA . 34541 1 25 . LEU . 34541 1 26 . ASP . 34541 1 27 . LEU . 34541 1 28 . LEU . 34541 1 29 . LYS . 34541 1 30 . GLU . 34541 1 31 . LEU . 34541 1 32 . LYS . 34541 1 33 . ASN . 34541 1 34 . ILE . 34541 1 35 . PRO . 34541 1 36 . MET . 34541 1 37 . THR . 34541 1 38 . LEU . 34541 1 39 . GLU . 34541 1 40 . LEU . 34541 1 41 . LEU . 34541 1 42 . GLN . 34541 1 43 . SER . 34541 1 44 . THR . 34541 1 45 . ARG . 34541 1 46 . ILE . 34541 1 47 . GLY . 34541 1 48 . MET . 34541 1 49 . SER . 34541 1 50 . VAL . 34541 1 51 . ASN . 34541 1 52 . ALA . 34541 1 53 . ILE . 34541 1 54 . ARG . 34541 1 55 . LYS . 34541 1 56 . GLN . 34541 1 57 . SER . 34541 1 58 . THR . 34541 1 59 . ASP . 34541 1 60 . GLU . 34541 1 61 . GLU . 34541 1 62 . VAL . 34541 1 63 . THR . 34541 1 64 . SER . 34541 1 65 . LEU . 34541 1 66 . ALA . 34541 1 67 . LYS . 34541 1 68 . SER . 34541 1 69 . LEU . 34541 1 70 . ILE . 34541 1 71 . LYS . 34541 1 72 . SER . 34541 1 73 . TRP . 34541 1 74 . LYS . 34541 1 75 . LYS . 34541 1 76 . LEU . 34541 1 77 . LEU . 34541 1 78 . ASP . 34541 1 79 . GLY . 34541 1 80 . GLY . 34541 1 81 . SER . 34541 1 82 . GLY . 34541 1 83 . SER . 34541 1 84 . GLY . 34541 1 85 . SER . 34541 1 86 . GLY . 34541 1 87 . SER . 34541 1 88 . GLY . 34541 1 89 . SER . 34541 1 90 . SER . 34541 1 91 . GLY . 34541 1 92 . GLU . 34541 1 93 . LEU . 34541 1 94 . SER . 34541 1 95 . ASP . 34541 1 96 . LYS . 34541 1 97 . LYS . 34541 1 98 . ASN . 34541 1 99 . GLU . 34541 1 100 . GLU . 34541 1 101 . LYS . 34541 1 102 . ASP . 34541 1 103 . LEU . 34541 1 104 . PHE . 34541 1 105 . GLY . 34541 1 106 . SER . 34541 1 107 . ASP . 34541 1 108 . SER . 34541 1 109 . GLU . 34541 1 110 . SER . 34541 1 111 . GLY . 34541 1 112 . ASN . 34541 1 113 . GLU . 34541 1 114 . GLU . 34541 1 115 . GLU . 34541 1 116 . ASN . 34541 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 34541 1 . GLU 2 2 34541 1 . ASP 3 3 34541 1 . GLU 4 4 34541 1 . VAL 5 5 34541 1 . VAL 6 6 34541 1 . ARG 7 7 34541 1 . PHE 8 8 34541 1 . ALA 9 9 34541 1 . LYS 10 10 34541 1 . LYS 11 11 34541 1 . MET 12 12 34541 1 . ASP 13 13 34541 1 . LYS 14 14 34541 1 . MET 15 15 34541 1 . VAL 16 16 34541 1 . GLN 17 17 34541 1 . LYS 18 18 34541 1 . LYS 19 19 34541 1 . ASN 20 20 34541 1 . ALA 21 21 34541 1 . ALA 22 22 34541 1 . GLY 23 23 34541 1 . ALA 24 24 34541 1 . LEU 25 25 34541 1 . ASP 26 26 34541 1 . LEU 27 27 34541 1 . LEU 28 28 34541 1 . LYS 29 29 34541 1 . GLU 30 30 34541 1 . LEU 31 31 34541 1 . LYS 32 32 34541 1 . ASN 33 33 34541 1 . ILE 34 34 34541 1 . PRO 35 35 34541 1 . MET 36 36 34541 1 . THR 37 37 34541 1 . LEU 38 38 34541 1 . GLU 39 39 34541 1 . LEU 40 40 34541 1 . LEU 41 41 34541 1 . GLN 42 42 34541 1 . SER 43 43 34541 1 . THR 44 44 34541 1 . ARG 45 45 34541 1 . ILE 46 46 34541 1 . GLY 47 47 34541 1 . MET 48 48 34541 1 . SER 49 49 34541 1 . VAL 50 50 34541 1 . ASN 51 51 34541 1 . ALA 52 52 34541 1 . ILE 53 53 34541 1 . ARG 54 54 34541 1 . LYS 55 55 34541 1 . GLN 56 56 34541 1 . SER 57 57 34541 1 . THR 58 58 34541 1 . ASP 59 59 34541 1 . GLU 60 60 34541 1 . GLU 61 61 34541 1 . VAL 62 62 34541 1 . THR 63 63 34541 1 . SER 64 64 34541 1 . LEU 65 65 34541 1 . ALA 66 66 34541 1 . LYS 67 67 34541 1 . SER 68 68 34541 1 . LEU 69 69 34541 1 . ILE 70 70 34541 1 . LYS 71 71 34541 1 . SER 72 72 34541 1 . TRP 73 73 34541 1 . LYS 74 74 34541 1 . LYS 75 75 34541 1 . LEU 76 76 34541 1 . LEU 77 77 34541 1 . ASP 78 78 34541 1 . GLY 79 79 34541 1 . GLY 80 80 34541 1 . SER 81 81 34541 1 . GLY 82 82 34541 1 . SER 83 83 34541 1 . GLY 84 84 34541 1 . SER 85 85 34541 1 . GLY 86 86 34541 1 . SER 87 87 34541 1 . GLY 88 88 34541 1 . SER 89 89 34541 1 . SER 90 90 34541 1 . GLY 91 91 34541 1 . GLU 92 92 34541 1 . LEU 93 93 34541 1 . SER 94 94 34541 1 . ASP 95 95 34541 1 . LYS 96 96 34541 1 . LYS 97 97 34541 1 . ASN 98 98 34541 1 . GLU 99 99 34541 1 . GLU 100 100 34541 1 . LYS 101 101 34541 1 . ASP 102 102 34541 1 . LEU 103 103 34541 1 . PHE 104 104 34541 1 . GLY 105 105 34541 1 . SER 106 106 34541 1 . ASP 107 107 34541 1 . SER 108 108 34541 1 . GLU 109 109 34541 1 . SER 110 110 34541 1 . GLY 111 111 34541 1 . ASN 112 112 34541 1 . GLU 113 113 34541 1 . GLU 114 114 34541 1 . GLU 115 115 34541 1 . ASN 116 116 34541 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34541 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'TCEA1, GTF2S, TFIIS, IWS1, IWS1L' . 34541 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 34541 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34541 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34541 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.35 mM [U-13C; U-15N] TFIIS-IWS1, 25 mM [U-2H] TRIS, 200 mM sodium chloride, 1 mM TCEP, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _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 TFIIS-IWS1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.35 . . mM . . . . 34541 1 2 TRIS [U-2H] . . . . . . 25 . . mM . . . . 34541 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 34541 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 34541 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34541 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 225 . mM 34541 1 pH 7.4 . pH 34541 1 pressure 1 . atm 34541 1 temperature 298 . K 34541 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34541 _Software.ID 1 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34541 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34541 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34541 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34541 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34541 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34541 _Software.ID 3 _Software.Type . _Software.Name YASARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID YASARA . . 34541 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34541 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34541 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34541 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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_1 Bruker 'AVANCE III HD' . 850 . . . 34541 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 34541 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34541 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34541 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34541 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34541 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34541 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34541 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34541 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34541 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34541 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34541 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34541 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_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34541 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 34541 1 2 '2D 1H-13C HSQC' . . . 34541 1 3 '3D HNCACB' . . . 34541 1 4 '3D CBCA(CO)NH' . . . 34541 1 5 '3D HNCO' . . . 34541 1 6 '3D HCCH-TOCSY' . . . 34541 1 7 '3D HBHA(CO)NH' . . . 34541 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 1 1 MET H H 1 8.574 0.000 . . . . . . A 1 MET H1 . 34541 1 2 . 1 . 1 1 1 MET HA H 1 4.450 0.002 . . . . . . A 1 MET HA . 34541 1 3 . 1 . 1 1 1 MET HB2 H 1 2.651 0.000 . . . . . . A 1 MET HB2 . 34541 1 4 . 1 . 1 1 1 MET HB3 H 1 2.576 0.000 . . . . . . A 1 MET HB3 . 34541 1 5 . 1 . 1 1 1 MET HG2 H 1 2.073 0.000 . . . . . . A 1 MET HG2 . 34541 1 6 . 1 . 1 1 1 MET HG3 H 1 2.186 0.000 . . . . . . A 1 MET HG3 . 34541 1 7 . 1 . 1 1 1 MET HE1 H 1 2.096 0.000 . . . . . . A 1 MET HE1 . 34541 1 8 . 1 . 1 1 1 MET HE2 H 1 2.096 0.000 . . . . . . A 1 MET HE2 . 34541 1 9 . 1 . 1 1 1 MET HE3 H 1 2.096 0.000 . . . . . . A 1 MET HE3 . 34541 1 10 . 1 . 1 1 1 MET C C 13 177.482 0.000 . . . . . . A 1 MET C . 34541 1 11 . 1 . 1 1 1 MET CA C 13 57.513 0.002 . . . . . . A 1 MET CA . 34541 1 12 . 1 . 1 1 1 MET CB C 13 32.023 0.000 . . . . . . A 1 MET CB . 34541 1 13 . 1 . 1 1 1 MET CG C 13 32.171 0.046 . . . . . . A 1 MET CG . 34541 1 14 . 1 . 1 1 1 MET CE C 13 17.185 0.000 . . . . . . A 1 MET CE . 34541 1 15 . 1 . 1 1 1 MET N N 15 122.823 0.000 . . . . . . A 1 MET N . 34541 1 16 . 1 . 1 2 2 GLU H H 1 8.357 0.003 . . . . . . A 2 GLU H . 34541 1 17 . 1 . 1 2 2 GLU HA H 1 3.645 0.001 . . . . . . A 2 GLU HA . 34541 1 18 . 1 . 1 2 2 GLU HB2 H 1 1.914 0.000 . . . . . . A 2 GLU HB2 . 34541 1 19 . 1 . 1 2 2 GLU HB3 H 1 1.999 0.000 . . . . . . A 2 GLU HB3 . 34541 1 20 . 1 . 1 2 2 GLU HG2 H 1 2.029 0.000 . . . . . . A 2 GLU HG2 . 34541 1 21 . 1 . 1 2 2 GLU HG3 H 1 2.145 0.000 . . . . . . A 2 GLU HG3 . 34541 1 22 . 1 . 1 2 2 GLU C C 13 177.275 0.005 . . . . . . A 2 GLU C . 34541 1 23 . 1 . 1 2 2 GLU CA C 13 60.597 0.044 . . . . . . A 2 GLU CA . 34541 1 24 . 1 . 1 2 2 GLU CB C 13 29.468 0.002 . . . . . . A 2 GLU CB . 34541 1 25 . 1 . 1 2 2 GLU CG C 13 36.441 0.007 . . . . . . A 2 GLU CG . 34541 1 26 . 1 . 1 2 2 GLU N N 15 119.816 0.011 . . . . . . A 2 GLU N . 34541 1 27 . 1 . 1 3 3 ASP H H 1 7.926 0.002 . . . . . . A 3 ASP H . 34541 1 28 . 1 . 1 3 3 ASP HA H 1 4.286 0.000 . . . . . . A 3 ASP HA . 34541 1 29 . 1 . 1 3 3 ASP HB2 H 1 2.775 0.000 . . . . . . A 3 ASP HB2 . 34541 1 30 . 1 . 1 3 3 ASP HB3 H 1 2.612 0.000 . . . . . . A 3 ASP HB3 . 34541 1 31 . 1 . 1 3 3 ASP C C 13 178.997 0.006 . . . . . . A 3 ASP C . 34541 1 32 . 1 . 1 3 3 ASP CA C 13 57.328 0.048 . . . . . . A 3 ASP CA . 34541 1 33 . 1 . 1 3 3 ASP CB C 13 40.668 0.102 . . . . . . A 3 ASP CB . 34541 1 34 . 1 . 1 3 3 ASP N N 15 117.342 0.005 . . . . . . A 3 ASP N . 34541 1 35 . 1 . 1 4 4 GLU H H 1 7.920 0.002 . . . . . . A 4 GLU H . 34541 1 36 . 1 . 1 4 4 GLU HA H 1 3.980 0.000 . . . . . . A 4 GLU HA . 34541 1 37 . 1 . 1 4 4 GLU HB2 H 1 2.158 0.000 . . . . . . A 4 GLU HB2 . 34541 1 38 . 1 . 1 4 4 GLU HB3 H 1 1.998 0.000 . . . . . . A 4 GLU HB3 . 34541 1 39 . 1 . 1 4 4 GLU HG2 H 1 2.235 0.000 . . . . . . A 4 GLU HG2 . 34541 1 40 . 1 . 1 4 4 GLU HG3 H 1 2.235 0.000 . . . . . . A 4 GLU HG3 . 34541 1 41 . 1 . 1 4 4 GLU C C 13 178.188 0.001 . . . . . . A 4 GLU C . 34541 1 42 . 1 . 1 4 4 GLU CA C 13 59.074 0.055 . . . . . . A 4 GLU CA . 34541 1 43 . 1 . 1 4 4 GLU CB C 13 29.535 0.020 . . . . . . A 4 GLU CB . 34541 1 44 . 1 . 1 4 4 GLU CG C 13 35.974 0.015 . . . . . . A 4 GLU CG . 34541 1 45 . 1 . 1 4 4 GLU N N 15 120.000 0.017 . . . . . . A 4 GLU N . 34541 1 46 . 1 . 1 5 5 VAL H H 1 8.269 0.002 . . . . . . A 5 VAL H . 34541 1 47 . 1 . 1 5 5 VAL HA H 1 3.697 0.000 . . . . . . A 5 VAL HA . 34541 1 48 . 1 . 1 5 5 VAL HB H 1 2.220 0.000 . . . . . . A 5 VAL HB . 34541 1 49 . 1 . 1 5 5 VAL HG11 H 1 0.953 0.000 . . . . . . A 5 VAL HG11 . 34541 1 50 . 1 . 1 5 5 VAL HG12 H 1 0.953 0.000 . . . . . . A 5 VAL HG12 . 34541 1 51 . 1 . 1 5 5 VAL HG13 H 1 0.953 0.000 . . . . . . A 5 VAL HG13 . 34541 1 52 . 1 . 1 5 5 VAL HG21 H 1 1.100 0.000 . . . . . . A 5 VAL HG21 . 34541 1 53 . 1 . 1 5 5 VAL HG22 H 1 1.100 0.000 . . . . . . A 5 VAL HG22 . 34541 1 54 . 1 . 1 5 5 VAL HG23 H 1 1.100 0.000 . . . . . . A 5 VAL HG23 . 34541 1 55 . 1 . 1 5 5 VAL C C 13 178.139 0.008 . . . . . . A 5 VAL C . 34541 1 56 . 1 . 1 5 5 VAL CA C 13 67.809 0.030 . . . . . . A 5 VAL CA . 34541 1 57 . 1 . 1 5 5 VAL CB C 13 31.137 0.043 . . . . . . A 5 VAL CB . 34541 1 58 . 1 . 1 5 5 VAL CG1 C 13 23.457 0.080 . . . . . . A 5 VAL CG1 . 34541 1 59 . 1 . 1 5 5 VAL CG2 C 13 24.627 0.062 . . . . . . A 5 VAL CG2 . 34541 1 60 . 1 . 1 5 5 VAL N N 15 119.138 0.024 . . . . . . A 5 VAL N . 34541 1 61 . 1 . 1 6 6 VAL H H 1 8.554 0.003 . . . . . . A 6 VAL H . 34541 1 62 . 1 . 1 6 6 VAL HA H 1 3.708 0.000 . . . . . . A 6 VAL HA . 34541 1 63 . 1 . 1 6 6 VAL HB H 1 2.208 0.000 . . . . . . A 6 VAL HB . 34541 1 64 . 1 . 1 6 6 VAL HG11 H 1 1.144 0.000 . . . . . . A 6 VAL HG11 . 34541 1 65 . 1 . 1 6 6 VAL HG12 H 1 1.144 0.000 . . . . . . A 6 VAL HG12 . 34541 1 66 . 1 . 1 6 6 VAL HG13 H 1 1.144 0.000 . . . . . . A 6 VAL HG13 . 34541 1 67 . 1 . 1 6 6 VAL HG21 H 1 1.011 0.000 . . . . . . A 6 VAL HG21 . 34541 1 68 . 1 . 1 6 6 VAL HG22 H 1 1.011 0.000 . . . . . . A 6 VAL HG22 . 34541 1 69 . 1 . 1 6 6 VAL HG23 H 1 1.011 0.000 . . . . . . A 6 VAL HG23 . 34541 1 70 . 1 . 1 6 6 VAL C C 13 177.935 0.003 . . . . . . A 6 VAL C . 34541 1 71 . 1 . 1 6 6 VAL CA C 13 67.118 0.056 . . . . . . A 6 VAL CA . 34541 1 72 . 1 . 1 6 6 VAL CB C 13 31.677 0.100 . . . . . . A 6 VAL CB . 34541 1 73 . 1 . 1 6 6 VAL CG1 C 13 23.945 0.021 . . . . . . A 6 VAL CG1 . 34541 1 74 . 1 . 1 6 6 VAL CG2 C 13 21.302 0.007 . . . . . . A 6 VAL CG2 . 34541 1 75 . 1 . 1 6 6 VAL N N 15 120.899 0.017 . . . . . . A 6 VAL N . 34541 1 76 . 1 . 1 7 7 ARG H H 1 7.728 0.002 . . . . . . A 7 ARG H . 34541 1 77 . 1 . 1 7 7 ARG HA H 1 3.986 0.000 . . . . . . A 7 ARG HA . 34541 1 78 . 1 . 1 7 7 ARG HB2 H 1 1.830 0.000 . . . . . . A 7 ARG HB2 . 34541 1 79 . 1 . 1 7 7 ARG HB3 H 1 1.920 0.000 . . . . . . A 7 ARG HB3 . 34541 1 80 . 1 . 1 7 7 ARG HG2 H 1 1.796 0.000 . . . . . . A 7 ARG HG2 . 34541 1 81 . 1 . 1 7 7 ARG HG3 H 1 1.469 0.000 . . . . . . A 7 ARG HG3 . 34541 1 82 . 1 . 1 7 7 ARG HD2 H 1 3.187 0.000 . . . . . . A 7 ARG HD2 . 34541 1 83 . 1 . 1 7 7 ARG HD3 H 1 3.165 0.000 . . . . . . A 7 ARG HD3 . 34541 1 84 . 1 . 1 7 7 ARG C C 13 180.298 0.000 . . . . . . A 7 ARG C . 34541 1 85 . 1 . 1 7 7 ARG CA C 13 60.329 0.069 . . . . . . A 7 ARG CA . 34541 1 86 . 1 . 1 7 7 ARG CB C 13 29.878 0.055 . . . . . . A 7 ARG CB . 34541 1 87 . 1 . 1 7 7 ARG CG C 13 28.346 0.051 . . . . . . A 7 ARG CG . 34541 1 88 . 1 . 1 7 7 ARG CD C 13 43.656 0.022 . . . . . . A 7 ARG CD . 34541 1 89 . 1 . 1 7 7 ARG N N 15 119.503 0.014 . . . . . . A 7 ARG N . 34541 1 90 . 1 . 1 8 8 PHE H H 1 8.200 0.002 . . . . . . A 8 PHE H . 34541 1 91 . 1 . 1 8 8 PHE HA H 1 4.387 0.000 . . . . . . A 8 PHE HA . 34541 1 92 . 1 . 1 8 8 PHE HB2 H 1 3.475 0.000 . . . . . . A 8 PHE HB2 . 34541 1 93 . 1 . 1 8 8 PHE HB3 H 1 3.022 0.000 . . . . . . A 8 PHE HB3 . 34541 1 94 . 1 . 1 8 8 PHE HD1 H 1 7.209 0.004 . . . . . . A 8 PHE HD1 . 34541 1 95 . 1 . 1 8 8 PHE HD2 H 1 7.209 0.004 . . . . . . A 8 PHE HD2 . 34541 1 96 . 1 . 1 8 8 PHE HE1 H 1 7.387 0.000 . . . . . . A 8 PHE HE1 . 34541 1 97 . 1 . 1 8 8 PHE HE2 H 1 7.387 0.000 . . . . . . A 8 PHE HE2 . 34541 1 98 . 1 . 1 8 8 PHE HZ H 1 7.346 0.000 . . . . . . A 8 PHE HZ . 34541 1 99 . 1 . 1 8 8 PHE C C 13 177.841 0.001 . . . . . . A 8 PHE C . 34541 1 100 . 1 . 1 8 8 PHE CA C 13 61.152 0.021 . . . . . . A 8 PHE CA . 34541 1 101 . 1 . 1 8 8 PHE CB C 13 38.945 0.029 . . . . . . A 8 PHE CB . 34541 1 102 . 1 . 1 8 8 PHE CD1 C 13 130.814 0.000 . . . . . . A 8 PHE CD1 . 34541 1 103 . 1 . 1 8 8 PHE CE1 C 13 131.519 0.000 . . . . . . A 8 PHE CE1 . 34541 1 104 . 1 . 1 8 8 PHE CZ C 13 130.642 0.000 . . . . . . A 8 PHE CZ . 34541 1 105 . 1 . 1 8 8 PHE N N 15 118.439 0.017 . . . . . . A 8 PHE N . 34541 1 106 . 1 . 1 9 9 ALA H H 1 8.586 0.001 . . . . . . A 9 ALA H . 34541 1 107 . 1 . 1 9 9 ALA HA H 1 4.008 0.000 . . . . . . A 9 ALA HA . 34541 1 108 . 1 . 1 9 9 ALA HB1 H 1 1.640 0.000 . . . . . . A 9 ALA HB1 . 34541 1 109 . 1 . 1 9 9 ALA HB2 H 1 1.640 0.000 . . . . . . A 9 ALA HB2 . 34541 1 110 . 1 . 1 9 9 ALA HB3 H 1 1.640 0.000 . . . . . . A 9 ALA HB3 . 34541 1 111 . 1 . 1 9 9 ALA C C 13 179.190 0.003 . . . . . . A 9 ALA C . 34541 1 112 . 1 . 1 9 9 ALA CA C 13 56.235 0.013 . . . . . . A 9 ALA CA . 34541 1 113 . 1 . 1 9 9 ALA CB C 13 17.702 0.014 . . . . . . A 9 ALA CB . 34541 1 114 . 1 . 1 9 9 ALA N N 15 123.241 0.011 . . . . . . A 9 ALA N . 34541 1 115 . 1 . 1 10 10 LYS H H 1 8.548 0.002 . . . . . . A 10 LYS H . 34541 1 116 . 1 . 1 10 10 LYS HA H 1 4.107 0.000 . . . . . . A 10 LYS HA . 34541 1 117 . 1 . 1 10 10 LYS HB2 H 1 1.971 0.000 . . . . . . A 10 LYS HB2 . 34541 1 118 . 1 . 1 10 10 LYS HB3 H 1 1.885 0.000 . . . . . . A 10 LYS HB3 . 34541 1 119 . 1 . 1 10 10 LYS HG2 H 1 1.563 0.000 . . . . . . A 10 LYS HG2 . 34541 1 120 . 1 . 1 10 10 LYS HG3 H 1 1.720 0.002 . . . . . . A 10 LYS HG3 . 34541 1 121 . 1 . 1 10 10 LYS HD2 H 1 1.673 0.000 . . . . . . A 10 LYS HD2 . 34541 1 122 . 1 . 1 10 10 LYS HD3 H 1 1.715 0.000 . . . . . . A 10 LYS HD3 . 34541 1 123 . 1 . 1 10 10 LYS HE2 H 1 2.951 0.000 . . . . . . A 10 LYS HE2 . 34541 1 124 . 1 . 1 10 10 LYS HE3 H 1 2.951 0.000 . . . . . . A 10 LYS HE3 . 34541 1 125 . 1 . 1 10 10 LYS C C 13 180.512 0.004 . . . . . . A 10 LYS C . 34541 1 126 . 1 . 1 10 10 LYS CA C 13 59.344 0.053 . . . . . . A 10 LYS CA . 34541 1 127 . 1 . 1 10 10 LYS CB C 13 32.330 0.021 . . . . . . A 10 LYS CB . 34541 1 128 . 1 . 1 10 10 LYS CG C 13 25.522 0.017 . . . . . . A 10 LYS CG . 34541 1 129 . 1 . 1 10 10 LYS CD C 13 29.099 0.025 . . . . . . A 10 LYS CD . 34541 1 130 . 1 . 1 10 10 LYS N N 15 116.479 0.008 . . . . . . A 10 LYS N . 34541 1 131 . 1 . 1 11 11 LYS H H 1 8.014 0.002 . . . . . . A 11 LYS H . 34541 1 132 . 1 . 1 11 11 LYS HA H 1 4.087 0.002 . . . . . . A 11 LYS HA . 34541 1 133 . 1 . 1 11 11 LYS HB2 H 1 1.905 0.000 . . . . . . A 11 LYS HB2 . 34541 1 134 . 1 . 1 11 11 LYS HB3 H 1 2.074 0.000 . . . . . . A 11 LYS HB3 . 34541 1 135 . 1 . 1 11 11 LYS HG2 H 1 1.493 0.000 . . . . . . A 11 LYS HG2 . 34541 1 136 . 1 . 1 11 11 LYS HG3 H 1 1.726 0.002 . . . . . . A 11 LYS HG3 . 34541 1 137 . 1 . 1 11 11 LYS HD2 H 1 1.729 0.000 . . . . . . A 11 LYS HD2 . 34541 1 138 . 1 . 1 11 11 LYS HD3 H 1 1.650 0.000 . . . . . . A 11 LYS HD3 . 34541 1 139 . 1 . 1 11 11 LYS HE2 H 1 2.940 0.001 . . . . . . A 11 LYS HE2 . 34541 1 140 . 1 . 1 11 11 LYS HE3 H 1 2.940 0.001 . . . . . . A 11 LYS HE3 . 34541 1 141 . 1 . 1 11 11 LYS C C 13 179.996 0.008 . . . . . . A 11 LYS C . 34541 1 142 . 1 . 1 11 11 LYS CA C 13 59.995 0.037 . . . . . . A 11 LYS CA . 34541 1 143 . 1 . 1 11 11 LYS CB C 13 33.142 0.023 . . . . . . A 11 LYS CB . 34541 1 144 . 1 . 1 11 11 LYS CG C 13 26.033 0.010 . . . . . . A 11 LYS CG . 34541 1 145 . 1 . 1 11 11 LYS CD C 13 29.911 0.021 . . . . . . A 11 LYS CD . 34541 1 146 . 1 . 1 11 11 LYS CE C 13 42.179 0.000 . . . . . . A 11 LYS CE . 34541 1 147 . 1 . 1 11 11 LYS N N 15 119.888 0.012 . . . . . . A 11 LYS N . 34541 1 148 . 1 . 1 12 12 MET H H 1 8.475 0.002 . . . . . . A 12 MET H . 34541 1 149 . 1 . 1 12 12 MET HA H 1 4.196 0.000 . . . . . . A 12 MET HA . 34541 1 150 . 1 . 1 12 12 MET HB2 H 1 2.414 0.000 . . . . . . A 12 MET HB2 . 34541 1 151 . 1 . 1 12 12 MET HB3 H 1 2.000 0.000 . . . . . . A 12 MET HB3 . 34541 1 152 . 1 . 1 12 12 MET HG2 H 1 2.376 0.000 . . . . . . A 12 MET HG2 . 34541 1 153 . 1 . 1 12 12 MET HG3 H 1 2.880 0.000 . . . . . . A 12 MET HG3 . 34541 1 154 . 1 . 1 12 12 MET HE1 H 1 1.979 0.000 . . . . . . A 12 MET HE1 . 34541 1 155 . 1 . 1 12 12 MET HE2 H 1 1.979 0.000 . . . . . . A 12 MET HE2 . 34541 1 156 . 1 . 1 12 12 MET HE3 H 1 1.979 0.000 . . . . . . A 12 MET HE3 . 34541 1 157 . 1 . 1 12 12 MET C C 13 177.795 0.004 . . . . . . A 12 MET C . 34541 1 158 . 1 . 1 12 12 MET CA C 13 59.813 0.040 . . . . . . A 12 MET CA . 34541 1 159 . 1 . 1 12 12 MET CB C 13 33.201 0.011 . . . . . . A 12 MET CB . 34541 1 160 . 1 . 1 12 12 MET CG C 13 34.460 0.027 . . . . . . A 12 MET CG . 34541 1 161 . 1 . 1 12 12 MET CE C 13 18.565 0.000 . . . . . . A 12 MET CE . 34541 1 162 . 1 . 1 12 12 MET N N 15 120.021 0.005 . . . . . . A 12 MET N . 34541 1 163 . 1 . 1 13 13 ASP H H 1 8.849 0.001 . . . . . . A 13 ASP H . 34541 1 164 . 1 . 1 13 13 ASP HA H 1 4.381 0.000 . . . . . . A 13 ASP HA . 34541 1 165 . 1 . 1 13 13 ASP HB2 H 1 2.676 0.000 . . . . . . A 13 ASP HB2 . 34541 1 166 . 1 . 1 13 13 ASP HB3 H 1 2.838 0.000 . . . . . . A 13 ASP HB3 . 34541 1 167 . 1 . 1 13 13 ASP C C 13 179.526 0.004 . . . . . . A 13 ASP C . 34541 1 168 . 1 . 1 13 13 ASP CA C 13 57.558 0.018 . . . . . . A 13 ASP CA . 34541 1 169 . 1 . 1 13 13 ASP CB C 13 39.970 0.012 . . . . . . A 13 ASP CB . 34541 1 170 . 1 . 1 13 13 ASP N N 15 120.551 0.013 . . . . . . A 13 ASP N . 34541 1 171 . 1 . 1 14 14 LYS H H 1 7.674 0.002 . . . . . . A 14 LYS H . 34541 1 172 . 1 . 1 14 14 LYS HA H 1 4.114 0.002 . . . . . . A 14 LYS HA . 34541 1 173 . 1 . 1 14 14 LYS HB2 H 1 1.984 0.000 . . . . . . A 14 LYS HB2 . 34541 1 174 . 1 . 1 14 14 LYS HB3 H 1 1.984 0.000 . . . . . . A 14 LYS HB3 . 34541 1 175 . 1 . 1 14 14 LYS HG2 H 1 1.538 0.000 . . . . . . A 14 LYS HG2 . 34541 1 176 . 1 . 1 14 14 LYS HG3 H 1 1.636 0.002 . . . . . . A 14 LYS HG3 . 34541 1 177 . 1 . 1 14 14 LYS HD2 H 1 1.721 0.000 . . . . . . A 14 LYS HD2 . 34541 1 178 . 1 . 1 14 14 LYS HD3 H 1 1.721 0.000 . . . . . . A 14 LYS HD3 . 34541 1 179 . 1 . 1 14 14 LYS HE2 H 1 3.008 0.000 . . . . . . A 14 LYS HE2 . 34541 1 180 . 1 . 1 14 14 LYS HE3 H 1 3.008 0.000 . . . . . . A 14 LYS HE3 . 34541 1 181 . 1 . 1 14 14 LYS C C 13 178.698 0.010 . . . . . . A 14 LYS C . 34541 1 182 . 1 . 1 14 14 LYS CA C 13 59.187 0.058 . . . . . . A 14 LYS CA . 34541 1 183 . 1 . 1 14 14 LYS CB C 13 31.871 0.029 . . . . . . A 14 LYS CB . 34541 1 184 . 1 . 1 14 14 LYS CG C 13 25.051 0.008 . . . . . . A 14 LYS CG . 34541 1 185 . 1 . 1 14 14 LYS CD C 13 28.991 0.062 . . . . . . A 14 LYS CD . 34541 1 186 . 1 . 1 14 14 LYS N N 15 119.862 0.010 . . . . . . A 14 LYS N . 34541 1 187 . 1 . 1 15 15 MET H H 1 7.741 0.003 . . . . . . A 15 MET H . 34541 1 188 . 1 . 1 15 15 MET HA H 1 4.064 0.000 . . . . . . A 15 MET HA . 34541 1 189 . 1 . 1 15 15 MET HB2 H 1 2.403 0.000 . . . . . . A 15 MET HB2 . 34541 1 190 . 1 . 1 15 15 MET HB3 H 1 1.996 0.000 . . . . . . A 15 MET HB3 . 34541 1 191 . 1 . 1 15 15 MET HG2 H 1 2.887 0.000 . . . . . . A 15 MET HG2 . 34541 1 192 . 1 . 1 15 15 MET HG3 H 1 2.781 0.000 . . . . . . A 15 MET HG3 . 34541 1 193 . 1 . 1 15 15 MET HE1 H 1 1.980 0.000 . . . . . . A 15 MET HE1 . 34541 1 194 . 1 . 1 15 15 MET HE2 H 1 1.980 0.000 . . . . . . A 15 MET HE2 . 34541 1 195 . 1 . 1 15 15 MET HE3 H 1 1.980 0.000 . . . . . . A 15 MET HE3 . 34541 1 196 . 1 . 1 15 15 MET C C 13 178.834 0.011 . . . . . . A 15 MET C . 34541 1 197 . 1 . 1 15 15 MET CA C 13 59.852 0.013 . . . . . . A 15 MET CA . 34541 1 198 . 1 . 1 15 15 MET CB C 13 32.592 0.031 . . . . . . A 15 MET CB . 34541 1 199 . 1 . 1 15 15 MET CG C 13 33.600 0.012 . . . . . . A 15 MET CG . 34541 1 200 . 1 . 1 15 15 MET CE C 13 18.634 0.000 . . . . . . A 15 MET CE . 34541 1 201 . 1 . 1 15 15 MET N N 15 119.231 0.037 . . . . . . A 15 MET N . 34541 1 202 . 1 . 1 16 16 VAL H H 1 8.065 0.002 . . . . . . A 16 VAL H . 34541 1 203 . 1 . 1 16 16 VAL HA H 1 3.742 0.000 . . . . . . A 16 VAL HA . 34541 1 204 . 1 . 1 16 16 VAL HB H 1 2.278 0.000 . . . . . . A 16 VAL HB . 34541 1 205 . 1 . 1 16 16 VAL HG11 H 1 1.025 0.000 . . . . . . A 16 VAL HG11 . 34541 1 206 . 1 . 1 16 16 VAL HG12 H 1 1.025 0.000 . . . . . . A 16 VAL HG12 . 34541 1 207 . 1 . 1 16 16 VAL HG13 H 1 1.025 0.000 . . . . . . A 16 VAL HG13 . 34541 1 208 . 1 . 1 16 16 VAL HG21 H 1 0.942 0.000 . . . . . . A 16 VAL HG21 . 34541 1 209 . 1 . 1 16 16 VAL HG22 H 1 0.942 0.000 . . . . . . A 16 VAL HG22 . 34541 1 210 . 1 . 1 16 16 VAL HG23 H 1 0.942 0.000 . . . . . . A 16 VAL HG23 . 34541 1 211 . 1 . 1 16 16 VAL C C 13 180.064 0.008 . . . . . . A 16 VAL C . 34541 1 212 . 1 . 1 16 16 VAL CA C 13 66.091 0.010 . . . . . . A 16 VAL CA . 34541 1 213 . 1 . 1 16 16 VAL CB C 13 31.775 0.016 . . . . . . A 16 VAL CB . 34541 1 214 . 1 . 1 16 16 VAL CG1 C 13 23.204 0.042 . . . . . . A 16 VAL CG1 . 34541 1 215 . 1 . 1 16 16 VAL CG2 C 13 21.325 0.027 . . . . . . A 16 VAL CG2 . 34541 1 216 . 1 . 1 16 16 VAL N N 15 118.683 0.013 . . . . . . A 16 VAL N . 34541 1 217 . 1 . 1 17 17 GLN H H 1 8.142 0.002 . . . . . . A 17 GLN H . 34541 1 218 . 1 . 1 17 17 GLN HA H 1 4.050 0.000 . . . . . . A 17 GLN HA . 34541 1 219 . 1 . 1 17 17 GLN HB2 H 1 2.239 0.000 . . . . . . A 17 GLN HB2 . 34541 1 220 . 1 . 1 17 17 GLN HB3 H 1 2.217 0.000 . . . . . . A 17 GLN HB3 . 34541 1 221 . 1 . 1 17 17 GLN HG2 H 1 2.467 0.000 . . . . . . A 17 GLN HG2 . 34541 1 222 . 1 . 1 17 17 GLN HG3 H 1 2.587 0.000 . . . . . . A 17 GLN HG3 . 34541 1 223 . 1 . 1 17 17 GLN HE21 H 1 7.519 0.000 . . . . . . A 17 GLN HE21 . 34541 1 224 . 1 . 1 17 17 GLN HE22 H 1 6.841 0.000 . . . . . . A 17 GLN HE22 . 34541 1 225 . 1 . 1 17 17 GLN C C 13 177.981 0.002 . . . . . . A 17 GLN C . 34541 1 226 . 1 . 1 17 17 GLN CA C 13 58.892 0.025 . . . . . . A 17 GLN CA . 34541 1 227 . 1 . 1 17 17 GLN CB C 13 28.522 0.023 . . . . . . A 17 GLN CB . 34541 1 228 . 1 . 1 17 17 GLN CG C 13 33.880 0.048 . . . . . . A 17 GLN CG . 34541 1 229 . 1 . 1 17 17 GLN N N 15 121.074 0.015 . . . . . . A 17 GLN N . 34541 1 230 . 1 . 1 17 17 GLN NE2 N 15 111.994 0.001 . . . . . . A 17 GLN NE2 . 34541 1 231 . 1 . 1 18 18 LYS H H 1 7.916 0.001 . . . . . . A 18 LYS H . 34541 1 232 . 1 . 1 18 18 LYS HA H 1 4.288 0.005 . . . . . . A 18 LYS HA . 34541 1 233 . 1 . 1 18 18 LYS HB2 H 1 1.999 0.000 . . . . . . A 18 LYS HB2 . 34541 1 234 . 1 . 1 18 18 LYS HB3 H 1 1.882 0.000 . . . . . . A 18 LYS HB3 . 34541 1 235 . 1 . 1 18 18 LYS HG2 H 1 1.582 0.001 . . . . . . A 18 LYS HG2 . 34541 1 236 . 1 . 1 18 18 LYS HG3 H 1 1.622 0.000 . . . . . . A 18 LYS HG3 . 34541 1 237 . 1 . 1 18 18 LYS HD2 H 1 1.702 0.000 . . . . . . A 18 LYS HD2 . 34541 1 238 . 1 . 1 18 18 LYS HD3 H 1 1.702 0.000 . . . . . . A 18 LYS HD3 . 34541 1 239 . 1 . 1 18 18 LYS HE2 H 1 3.026 0.000 . . . . . . A 18 LYS HE2 . 34541 1 240 . 1 . 1 18 18 LYS HE3 H 1 3.026 0.000 . . . . . . A 18 LYS HE3 . 34541 1 241 . 1 . 1 18 18 LYS C C 13 175.319 0.005 . . . . . . A 18 LYS C . 34541 1 242 . 1 . 1 18 18 LYS CA C 13 55.729 0.004 . . . . . . A 18 LYS CA . 34541 1 243 . 1 . 1 18 18 LYS CB C 13 32.230 0.005 . . . . . . A 18 LYS CB . 34541 1 244 . 1 . 1 18 18 LYS CG C 13 25.022 0.032 . . . . . . A 18 LYS CG . 34541 1 245 . 1 . 1 18 18 LYS CD C 13 28.906 0.000 . . . . . . A 18 LYS CD . 34541 1 246 . 1 . 1 18 18 LYS N N 15 115.954 0.013 . . . . . . A 18 LYS N . 34541 1 247 . 1 . 1 19 19 LYS H H 1 7.916 0.002 . . . . . . A 19 LYS H . 34541 1 248 . 1 . 1 19 19 LYS HA H 1 3.945 0.002 . . . . . . A 19 LYS HA . 34541 1 249 . 1 . 1 19 19 LYS HB2 H 1 2.084 0.000 . . . . . . A 19 LYS HB2 . 34541 1 250 . 1 . 1 19 19 LYS HB3 H 1 1.933 0.000 . . . . . . A 19 LYS HB3 . 34541 1 251 . 1 . 1 19 19 LYS HG2 H 1 1.403 0.001 . . . . . . A 19 LYS HG2 . 34541 1 252 . 1 . 1 19 19 LYS HG3 H 1 1.403 0.001 . . . . . . A 19 LYS HG3 . 34541 1 253 . 1 . 1 19 19 LYS HD2 H 1 1.705 0.000 . . . . . . A 19 LYS HD2 . 34541 1 254 . 1 . 1 19 19 LYS HD3 H 1 1.705 0.000 . . . . . . A 19 LYS HD3 . 34541 1 255 . 1 . 1 19 19 LYS HE2 H 1 3.060 0.000 . . . . . . A 19 LYS HE2 . 34541 1 256 . 1 . 1 19 19 LYS HE3 H 1 3.060 0.000 . . . . . . A 19 LYS HE3 . 34541 1 257 . 1 . 1 19 19 LYS C C 13 175.817 0.006 . . . . . . A 19 LYS C . 34541 1 258 . 1 . 1 19 19 LYS CA C 13 57.049 0.013 . . . . . . A 19 LYS CA . 34541 1 259 . 1 . 1 19 19 LYS CB C 13 29.334 0.053 . . . . . . A 19 LYS CB . 34541 1 260 . 1 . 1 19 19 LYS CG C 13 25.158 0.017 . . . . . . A 19 LYS CG . 34541 1 261 . 1 . 1 19 19 LYS CD C 13 28.912 0.000 . . . . . . A 19 LYS CD . 34541 1 262 . 1 . 1 19 19 LYS CE C 13 42.461 0.000 . . . . . . A 19 LYS CE . 34541 1 263 . 1 . 1 19 19 LYS N N 15 117.350 0.006 . . . . . . A 19 LYS N . 34541 1 264 . 1 . 1 20 20 ASN H H 1 8.297 0.001 . . . . . . A 20 ASN H . 34541 1 265 . 1 . 1 20 20 ASN HA H 1 4.948 0.000 . . . . . . A 20 ASN HA . 34541 1 266 . 1 . 1 20 20 ASN HB2 H 1 2.823 0.000 . . . . . . A 20 ASN HB2 . 34541 1 267 . 1 . 1 20 20 ASN HB3 H 1 2.615 0.000 . . . . . . A 20 ASN HB3 . 34541 1 268 . 1 . 1 20 20 ASN HD21 H 1 7.573 0.000 . . . . . . A 20 ASN HD21 . 34541 1 269 . 1 . 1 20 20 ASN HD22 H 1 6.957 0.000 . . . . . . A 20 ASN HD22 . 34541 1 270 . 1 . 1 20 20 ASN C C 13 174.853 0.004 . . . . . . A 20 ASN C . 34541 1 271 . 1 . 1 20 20 ASN CA C 13 52.605 0.036 . . . . . . A 20 ASN CA . 34541 1 272 . 1 . 1 20 20 ASN CB C 13 39.356 0.049 . . . . . . A 20 ASN CB . 34541 1 273 . 1 . 1 20 20 ASN N N 15 115.457 0.021 . . . . . . A 20 ASN N . 34541 1 274 . 1 . 1 20 20 ASN ND2 N 15 111.087 0.007 . . . . . . A 20 ASN ND2 . 34541 1 275 . 1 . 1 21 21 ALA H H 1 8.678 0.003 . . . . . . A 21 ALA H . 34541 1 276 . 1 . 1 21 21 ALA HA H 1 4.375 0.000 . . . . . . A 21 ALA HA . 34541 1 277 . 1 . 1 21 21 ALA HB1 H 1 1.423 0.000 . . . . . . A 21 ALA HB1 . 34541 1 278 . 1 . 1 21 21 ALA HB2 H 1 1.423 0.000 . . . . . . A 21 ALA HB2 . 34541 1 279 . 1 . 1 21 21 ALA HB3 H 1 1.423 0.000 . . . . . . A 21 ALA HB3 . 34541 1 280 . 1 . 1 21 21 ALA C C 13 177.760 0.003 . . . . . . A 21 ALA C . 34541 1 281 . 1 . 1 21 21 ALA CA C 13 52.578 0.053 . . . . . . A 21 ALA CA . 34541 1 282 . 1 . 1 21 21 ALA CB C 13 18.848 0.033 . . . . . . A 21 ALA CB . 34541 1 283 . 1 . 1 21 21 ALA N N 15 125.683 0.025 . . . . . . A 21 ALA N . 34541 1 284 . 1 . 1 22 22 ALA H H 1 8.137 0.001 . . . . . . A 22 ALA H . 34541 1 285 . 1 . 1 22 22 ALA HA H 1 4.195 0.000 . . . . . . A 22 ALA HA . 34541 1 286 . 1 . 1 22 22 ALA HB1 H 1 1.468 0.000 . . . . . . A 22 ALA HB1 . 34541 1 287 . 1 . 1 22 22 ALA HB2 H 1 1.468 0.000 . . . . . . A 22 ALA HB2 . 34541 1 288 . 1 . 1 22 22 ALA HB3 H 1 1.468 0.000 . . . . . . A 22 ALA HB3 . 34541 1 289 . 1 . 1 22 22 ALA C C 13 179.037 0.002 . . . . . . A 22 ALA C . 34541 1 290 . 1 . 1 22 22 ALA CA C 13 54.664 0.023 . . . . . . A 22 ALA CA . 34541 1 291 . 1 . 1 22 22 ALA CB C 13 18.142 0.007 . . . . . . A 22 ALA CB . 34541 1 292 . 1 . 1 22 22 ALA N N 15 122.337 0.010 . . . . . . A 22 ALA N . 34541 1 293 . 1 . 1 23 23 GLY H H 1 8.508 0.002 . . . . . . A 23 GLY H . 34541 1 294 . 1 . 1 23 23 GLY HA2 H 1 4.049 0.000 . . . . . . A 23 GLY HA2 . 34541 1 295 . 1 . 1 23 23 GLY HA3 H 1 4.084 0.000 . . . . . . A 23 GLY HA3 . 34541 1 296 . 1 . 1 23 23 GLY C C 13 176.016 0.000 . . . . . . A 23 GLY C . 34541 1 297 . 1 . 1 23 23 GLY CA C 13 45.584 0.003 . . . . . . A 23 GLY CA . 34541 1 298 . 1 . 1 23 23 GLY N N 15 108.444 0.024 . . . . . . A 23 GLY N . 34541 1 299 . 1 . 1 24 24 ALA H H 1 8.097 0.001 . . . . . . A 24 ALA H . 34541 1 300 . 1 . 1 24 24 ALA HA H 1 3.978 0.000 . . . . . . A 24 ALA HA . 34541 1 301 . 1 . 1 24 24 ALA HB1 H 1 1.563 0.000 . . . . . . A 24 ALA HB1 . 34541 1 302 . 1 . 1 24 24 ALA HB2 H 1 1.563 0.000 . . . . . . A 24 ALA HB2 . 34541 1 303 . 1 . 1 24 24 ALA HB3 H 1 1.563 0.000 . . . . . . A 24 ALA HB3 . 34541 1 304 . 1 . 1 24 24 ALA C C 13 178.212 0.009 . . . . . . A 24 ALA C . 34541 1 305 . 1 . 1 24 24 ALA CA C 13 55.062 0.020 . . . . . . A 24 ALA CA . 34541 1 306 . 1 . 1 24 24 ALA CB C 13 19.139 0.010 . . . . . . A 24 ALA CB . 34541 1 307 . 1 . 1 24 24 ALA N N 15 122.790 0.014 . . . . . . A 24 ALA N . 34541 1 308 . 1 . 1 25 25 LEU H H 1 8.376 0.001 . . . . . . A 25 LEU H . 34541 1 309 . 1 . 1 25 25 LEU HA H 1 3.861 0.000 . . . . . . A 25 LEU HA . 34541 1 310 . 1 . 1 25 25 LEU HB2 H 1 1.532 0.000 . . . . . . A 25 LEU HB2 . 34541 1 311 . 1 . 1 25 25 LEU HB3 H 1 1.826 0.000 . . . . . . A 25 LEU HB3 . 34541 1 312 . 1 . 1 25 25 LEU HG H 1 1.481 0.000 . . . . . . A 25 LEU HG . 34541 1 313 . 1 . 1 25 25 LEU HD11 H 1 0.905 0.000 . . . . . . A 25 LEU HD11 . 34541 1 314 . 1 . 1 25 25 LEU HD12 H 1 0.905 0.000 . . . . . . A 25 LEU HD12 . 34541 1 315 . 1 . 1 25 25 LEU HD13 H 1 0.905 0.000 . . . . . . A 25 LEU HD13 . 34541 1 316 . 1 . 1 25 25 LEU HD21 H 1 0.852 0.000 . . . . . . A 25 LEU HD21 . 34541 1 317 . 1 . 1 25 25 LEU HD22 H 1 0.852 0.000 . . . . . . A 25 LEU HD22 . 34541 1 318 . 1 . 1 25 25 LEU HD23 H 1 0.852 0.000 . . . . . . A 25 LEU HD23 . 34541 1 319 . 1 . 1 25 25 LEU C C 13 177.729 0.009 . . . . . . A 25 LEU C . 34541 1 320 . 1 . 1 25 25 LEU CA C 13 59.325 0.062 . . . . . . A 25 LEU CA . 34541 1 321 . 1 . 1 25 25 LEU CB C 13 41.244 0.026 . . . . . . A 25 LEU CB . 34541 1 322 . 1 . 1 25 25 LEU CG C 13 26.892 0.061 . . . . . . A 25 LEU CG . 34541 1 323 . 1 . 1 25 25 LEU CD1 C 13 25.601 0.096 . . . . . . A 25 LEU CD1 . 34541 1 324 . 1 . 1 25 25 LEU CD2 C 13 23.632 0.011 . . . . . . A 25 LEU CD2 . 34541 1 325 . 1 . 1 25 25 LEU N N 15 118.561 0.013 . . . . . . A 25 LEU N . 34541 1 326 . 1 . 1 26 26 ASP H H 1 7.973 0.001 . . . . . . A 26 ASP H . 34541 1 327 . 1 . 1 26 26 ASP HA H 1 4.271 0.000 . . . . . . A 26 ASP HA . 34541 1 328 . 1 . 1 26 26 ASP HB2 H 1 2.566 0.000 . . . . . . A 26 ASP HB2 . 34541 1 329 . 1 . 1 26 26 ASP HB3 H 1 2.673 0.000 . . . . . . A 26 ASP HB3 . 34541 1 330 . 1 . 1 26 26 ASP C C 13 178.987 0.004 . . . . . . A 26 ASP C . 34541 1 331 . 1 . 1 26 26 ASP CA C 13 57.616 0.007 . . . . . . A 26 ASP CA . 34541 1 332 . 1 . 1 26 26 ASP CB C 13 40.285 0.025 . . . . . . A 26 ASP CB . 34541 1 333 . 1 . 1 26 26 ASP N N 15 115.699 0.023 . . . . . . A 26 ASP N . 34541 1 334 . 1 . 1 27 27 LEU H H 1 7.354 0.001 . . . . . . A 27 LEU H . 34541 1 335 . 1 . 1 27 27 LEU HA H 1 4.099 0.000 . . . . . . A 27 LEU HA . 34541 1 336 . 1 . 1 27 27 LEU HB2 H 1 1.914 0.004 . . . . . . A 27 LEU HB2 . 34541 1 337 . 1 . 1 27 27 LEU HB3 H 1 1.491 0.005 . . . . . . A 27 LEU HB3 . 34541 1 338 . 1 . 1 27 27 LEU HG H 1 1.866 0.000 . . . . . . A 27 LEU HG . 34541 1 339 . 1 . 1 27 27 LEU HD11 H 1 0.895 0.000 . . . . . . A 27 LEU HD11 . 34541 1 340 . 1 . 1 27 27 LEU HD12 H 1 0.895 0.000 . . . . . . A 27 LEU HD12 . 34541 1 341 . 1 . 1 27 27 LEU HD13 H 1 0.895 0.000 . . . . . . A 27 LEU HD13 . 34541 1 342 . 1 . 1 27 27 LEU HD21 H 1 0.984 0.000 . . . . . . A 27 LEU HD21 . 34541 1 343 . 1 . 1 27 27 LEU HD22 H 1 0.984 0.000 . . . . . . A 27 LEU HD22 . 34541 1 344 . 1 . 1 27 27 LEU HD23 H 1 0.984 0.000 . . . . . . A 27 LEU HD23 . 34541 1 345 . 1 . 1 27 27 LEU C C 13 178.880 0.024 . . . . . . A 27 LEU C . 34541 1 346 . 1 . 1 27 27 LEU CA C 13 57.988 0.090 . . . . . . A 27 LEU CA . 34541 1 347 . 1 . 1 27 27 LEU CB C 13 42.110 0.041 . . . . . . A 27 LEU CB . 34541 1 348 . 1 . 1 27 27 LEU CG C 13 27.291 0.000 . . . . . . A 27 LEU CG . 34541 1 349 . 1 . 1 27 27 LEU CD1 C 13 24.202 0.016 . . . . . . A 27 LEU CD1 . 34541 1 350 . 1 . 1 27 27 LEU CD2 C 13 26.941 0.019 . . . . . . A 27 LEU CD2 . 34541 1 351 . 1 . 1 27 27 LEU N N 15 119.186 0.006 . . . . . . A 27 LEU N . 34541 1 352 . 1 . 1 28 28 LEU H H 1 8.336 0.001 . . . . . . A 28 LEU H . 34541 1 353 . 1 . 1 28 28 LEU HA H 1 3.833 0.000 . . . . . . A 28 LEU HA . 34541 1 354 . 1 . 1 28 28 LEU HB2 H 1 2.100 0.000 . . . . . . A 28 LEU HB2 . 34541 1 355 . 1 . 1 28 28 LEU HB3 H 1 1.208 0.000 . . . . . . A 28 LEU HB3 . 34541 1 356 . 1 . 1 28 28 LEU HG H 1 1.953 0.000 . . . . . . A 28 LEU HG . 34541 1 357 . 1 . 1 28 28 LEU HD11 H 1 0.795 0.000 . . . . . . A 28 LEU HD11 . 34541 1 358 . 1 . 1 28 28 LEU HD12 H 1 0.795 0.000 . . . . . . A 28 LEU HD12 . 34541 1 359 . 1 . 1 28 28 LEU HD13 H 1 0.795 0.000 . . . . . . A 28 LEU HD13 . 34541 1 360 . 1 . 1 28 28 LEU HD21 H 1 0.926 0.000 . . . . . . A 28 LEU HD21 . 34541 1 361 . 1 . 1 28 28 LEU HD22 H 1 0.926 0.000 . . . . . . A 28 LEU HD22 . 34541 1 362 . 1 . 1 28 28 LEU HD23 H 1 0.926 0.000 . . . . . . A 28 LEU HD23 . 34541 1 363 . 1 . 1 28 28 LEU C C 13 178.857 0.000 . . . . . . A 28 LEU C . 34541 1 364 . 1 . 1 28 28 LEU CA C 13 58.143 0.037 . . . . . . A 28 LEU CA . 34541 1 365 . 1 . 1 28 28 LEU CB C 13 41.710 0.039 . . . . . . A 28 LEU CB . 34541 1 366 . 1 . 1 28 28 LEU CG C 13 26.848 0.037 . . . . . . A 28 LEU CG . 34541 1 367 . 1 . 1 28 28 LEU CD1 C 13 24.155 0.000 . . . . . . A 28 LEU CD1 . 34541 1 368 . 1 . 1 28 28 LEU CD2 C 13 28.338 0.000 . . . . . . A 28 LEU CD2 . 34541 1 369 . 1 . 1 28 28 LEU N N 15 118.712 0.019 . . . . . . A 28 LEU N . 34541 1 370 . 1 . 1 29 29 LYS H H 1 8.206 0.003 . . . . . . A 29 LYS H . 34541 1 371 . 1 . 1 29 29 LYS HA H 1 3.766 0.000 . . . . . . A 29 LYS HA . 34541 1 372 . 1 . 1 29 29 LYS HB2 H 1 1.912 0.000 . . . . . . A 29 LYS HB2 . 34541 1 373 . 1 . 1 29 29 LYS HB3 H 1 1.819 0.000 . . . . . . A 29 LYS HB3 . 34541 1 374 . 1 . 1 29 29 LYS HG2 H 1 1.654 0.000 . . . . . . A 29 LYS HG2 . 34541 1 375 . 1 . 1 29 29 LYS HG3 H 1 1.282 0.000 . . . . . . A 29 LYS HG3 . 34541 1 376 . 1 . 1 29 29 LYS HD2 H 1 1.637 0.000 . . . . . . A 29 LYS HD2 . 34541 1 377 . 1 . 1 29 29 LYS HD3 H 1 1.637 0.000 . . . . . . A 29 LYS HD3 . 34541 1 378 . 1 . 1 29 29 LYS HE2 H 1 2.751 0.000 . . . . . . A 29 LYS HE2 . 34541 1 379 . 1 . 1 29 29 LYS HE3 H 1 2.910 0.000 . . . . . . A 29 LYS HE3 . 34541 1 380 . 1 . 1 29 29 LYS C C 13 179.550 0.001 . . . . . . A 29 LYS C . 34541 1 381 . 1 . 1 29 29 LYS CA C 13 60.626 0.045 . . . . . . A 29 LYS CA . 34541 1 382 . 1 . 1 29 29 LYS CB C 13 32.514 0.024 . . . . . . A 29 LYS CB . 34541 1 383 . 1 . 1 29 29 LYS CG C 13 26.898 0.040 . . . . . . A 29 LYS CG . 34541 1 384 . 1 . 1 29 29 LYS CD C 13 29.952 0.030 . . . . . . A 29 LYS CD . 34541 1 385 . 1 . 1 29 29 LYS CE C 13 42.095 0.042 . . . . . . A 29 LYS CE . 34541 1 386 . 1 . 1 29 29 LYS N N 15 117.065 0.022 . . . . . . A 29 LYS N . 34541 1 387 . 1 . 1 30 30 GLU H H 1 7.428 0.002 . . . . . . A 30 GLU H . 34541 1 388 . 1 . 1 30 30 GLU HA H 1 4.178 0.000 . . . . . . A 30 GLU HA . 34541 1 389 . 1 . 1 30 30 GLU HB2 H 1 2.126 0.000 . . . . . . A 30 GLU HB2 . 34541 1 390 . 1 . 1 30 30 GLU HB3 H 1 2.126 0.000 . . . . . . A 30 GLU HB3 . 34541 1 391 . 1 . 1 30 30 GLU HG2 H 1 2.355 0.000 . . . . . . A 30 GLU HG2 . 34541 1 392 . 1 . 1 30 30 GLU HG3 H 1 2.501 0.000 . . . . . . A 30 GLU HG3 . 34541 1 393 . 1 . 1 30 30 GLU C C 13 180.331 0.001 . . . . . . A 30 GLU C . 34541 1 394 . 1 . 1 30 30 GLU CA C 13 59.096 0.034 . . . . . . A 30 GLU CA . 34541 1 395 . 1 . 1 30 30 GLU CB C 13 29.665 0.016 . . . . . . A 30 GLU CB . 34541 1 396 . 1 . 1 30 30 GLU CG C 13 36.343 0.021 . . . . . . A 30 GLU CG . 34541 1 397 . 1 . 1 30 30 GLU N N 15 118.590 0.013 . . . . . . A 30 GLU N . 34541 1 398 . 1 . 1 31 31 LEU H H 1 8.096 0.002 . . . . . . A 31 LEU H . 34541 1 399 . 1 . 1 31 31 LEU HA H 1 3.876 0.000 . . . . . . A 31 LEU HA . 34541 1 400 . 1 . 1 31 31 LEU HB2 H 1 1.858 0.000 . . . . . . A 31 LEU HB2 . 34541 1 401 . 1 . 1 31 31 LEU HB3 H 1 1.632 0.000 . . . . . . A 31 LEU HB3 . 34541 1 402 . 1 . 1 31 31 LEU HG H 1 1.635 0.000 . . . . . . A 31 LEU HG . 34541 1 403 . 1 . 1 31 31 LEU HD11 H 1 0.895 0.000 . . . . . . A 31 LEU HD11 . 34541 1 404 . 1 . 1 31 31 LEU HD12 H 1 0.895 0.000 . . . . . . A 31 LEU HD12 . 34541 1 405 . 1 . 1 31 31 LEU HD13 H 1 0.895 0.000 . . . . . . A 31 LEU HD13 . 34541 1 406 . 1 . 1 31 31 LEU HD21 H 1 0.869 0.000 . . . . . . A 31 LEU HD21 . 34541 1 407 . 1 . 1 31 31 LEU HD22 H 1 0.869 0.000 . . . . . . A 31 LEU HD22 . 34541 1 408 . 1 . 1 31 31 LEU HD23 H 1 0.869 0.000 . . . . . . A 31 LEU HD23 . 34541 1 409 . 1 . 1 31 31 LEU C C 13 178.811 0.010 . . . . . . A 31 LEU C . 34541 1 410 . 1 . 1 31 31 LEU CA C 13 57.243 0.023 . . . . . . A 31 LEU CA . 34541 1 411 . 1 . 1 31 31 LEU CB C 13 42.541 0.027 . . . . . . A 31 LEU CB . 34541 1 412 . 1 . 1 31 31 LEU CG C 13 27.334 0.035 . . . . . . A 31 LEU CG . 34541 1 413 . 1 . 1 31 31 LEU CD1 C 13 25.693 0.000 . . . . . . A 31 LEU CD1 . 34541 1 414 . 1 . 1 31 31 LEU CD2 C 13 24.990 0.000 . . . . . . A 31 LEU CD2 . 34541 1 415 . 1 . 1 31 31 LEU N N 15 120.384 0.006 . . . . . . A 31 LEU N . 34541 1 416 . 1 . 1 32 32 LYS H H 1 7.727 0.001 . . . . . . A 32 LYS H . 34541 1 417 . 1 . 1 32 32 LYS HA H 1 3.960 0.000 . . . . . . A 32 LYS HA . 34541 1 418 . 1 . 1 32 32 LYS HB2 H 1 1.881 0.000 . . . . . . A 32 LYS HB2 . 34541 1 419 . 1 . 1 32 32 LYS HB3 H 1 1.881 0.000 . . . . . . A 32 LYS HB3 . 34541 1 420 . 1 . 1 32 32 LYS HG2 H 1 1.499 0.000 . . . . . . A 32 LYS HG2 . 34541 1 421 . 1 . 1 32 32 LYS HG3 H 1 1.499 0.000 . . . . . . A 32 LYS HG3 . 34541 1 422 . 1 . 1 32 32 LYS HE2 H 1 2.955 0.001 . . . . . . A 32 LYS HE2 . 34541 1 423 . 1 . 1 32 32 LYS HE3 H 1 2.955 0.001 . . . . . . A 32 LYS HE3 . 34541 1 424 . 1 . 1 32 32 LYS C C 13 176.321 0.004 . . . . . . A 32 LYS C . 34541 1 425 . 1 . 1 32 32 LYS CA C 13 58.657 0.021 . . . . . . A 32 LYS CA . 34541 1 426 . 1 . 1 32 32 LYS CB C 13 32.345 0.022 . . . . . . A 32 LYS CB . 34541 1 427 . 1 . 1 32 32 LYS CG C 13 24.488 0.041 . . . . . . A 32 LYS CG . 34541 1 428 . 1 . 1 32 32 LYS CD C 13 29.352 0.000 . . . . . . A 32 LYS CD . 34541 1 429 . 1 . 1 32 32 LYS CE C 13 41.875 0.000 . . . . . . A 32 LYS CE . 34541 1 430 . 1 . 1 32 32 LYS N N 15 118.831 0.014 . . . . . . A 32 LYS N . 34541 1 431 . 1 . 1 33 33 ASN H H 1 7.347 0.002 . . . . . . A 33 ASN H . 34541 1 432 . 1 . 1 33 33 ASN HA H 1 4.825 0.000 . . . . . . A 33 ASN HA . 34541 1 433 . 1 . 1 33 33 ASN HB2 H 1 2.788 0.000 . . . . . . A 33 ASN HB2 . 34541 1 434 . 1 . 1 33 33 ASN HB3 H 1 3.084 0.000 . . . . . . A 33 ASN HB3 . 34541 1 435 . 1 . 1 33 33 ASN HD21 H 1 7.661 0.000 . . . . . . A 33 ASN HD21 . 34541 1 436 . 1 . 1 33 33 ASN HD22 H 1 6.891 0.000 . . . . . . A 33 ASN HD22 . 34541 1 437 . 1 . 1 33 33 ASN C C 13 175.302 0.006 . . . . . . A 33 ASN C . 34541 1 438 . 1 . 1 33 33 ASN CA C 13 53.012 0.032 . . . . . . A 33 ASN CA . 34541 1 439 . 1 . 1 33 33 ASN CB C 13 39.332 0.045 . . . . . . A 33 ASN CB . 34541 1 440 . 1 . 1 33 33 ASN N N 15 113.136 0.012 . . . . . . A 33 ASN N . 34541 1 441 . 1 . 1 33 33 ASN ND2 N 15 113.901 0.004 . . . . . . A 33 ASN ND2 . 34541 1 442 . 1 . 1 34 34 ILE H H 1 7.419 0.001 . . . . . . A 34 ILE H . 34541 1 443 . 1 . 1 34 34 ILE HA H 1 4.474 0.000 . . . . . . A 34 ILE HA . 34541 1 444 . 1 . 1 34 34 ILE HB H 1 2.119 0.000 . . . . . . A 34 ILE HB . 34541 1 445 . 1 . 1 34 34 ILE HG12 H 1 1.646 0.000 . . . . . . A 34 ILE HG12 . 34541 1 446 . 1 . 1 34 34 ILE HG13 H 1 1.509 0.001 . . . . . . A 34 ILE HG13 . 34541 1 447 . 1 . 1 34 34 ILE HG21 H 1 0.791 0.000 . . . . . . A 34 ILE HG21 . 34541 1 448 . 1 . 1 34 34 ILE HG22 H 1 0.791 0.000 . . . . . . A 34 ILE HG22 . 34541 1 449 . 1 . 1 34 34 ILE HG23 H 1 0.791 0.000 . . . . . . A 34 ILE HG23 . 34541 1 450 . 1 . 1 34 34 ILE HD11 H 1 0.909 0.000 . . . . . . A 34 ILE HD11 . 34541 1 451 . 1 . 1 34 34 ILE HD12 H 1 0.909 0.000 . . . . . . A 34 ILE HD12 . 34541 1 452 . 1 . 1 34 34 ILE HD13 H 1 0.909 0.000 . . . . . . A 34 ILE HD13 . 34541 1 453 . 1 . 1 34 34 ILE C C 13 174.502 0.000 . . . . . . A 34 ILE C . 34541 1 454 . 1 . 1 34 34 ILE CA C 13 58.286 0.050 . . . . . . A 34 ILE CA . 34541 1 455 . 1 . 1 34 34 ILE CB C 13 38.806 0.043 . . . . . . A 34 ILE CB . 34541 1 456 . 1 . 1 34 34 ILE CG1 C 13 27.838 0.025 . . . . . . A 34 ILE CG1 . 34541 1 457 . 1 . 1 34 34 ILE CG2 C 13 15.977 0.015 . . . . . . A 34 ILE CG2 . 34541 1 458 . 1 . 1 34 34 ILE CD1 C 13 12.355 0.030 . . . . . . A 34 ILE CD1 . 34541 1 459 . 1 . 1 34 34 ILE N N 15 122.655 0.006 . . . . . . A 34 ILE N . 34541 1 460 . 1 . 1 35 35 PRO HA H 1 4.721 0.000 . . . . . . A 35 PRO HA . 34541 1 461 . 1 . 1 35 35 PRO HB2 H 1 2.109 0.000 . . . . . . A 35 PRO HB2 . 34541 1 462 . 1 . 1 35 35 PRO HB3 H 1 2.109 0.000 . . . . . . A 35 PRO HB3 . 34541 1 463 . 1 . 1 35 35 PRO HG2 H 1 2.076 0.000 . . . . . . A 35 PRO HG2 . 34541 1 464 . 1 . 1 35 35 PRO HG3 H 1 2.197 0.000 . . . . . . A 35 PRO HG3 . 34541 1 465 . 1 . 1 35 35 PRO HD2 H 1 3.709 0.000 . . . . . . A 35 PRO HD2 . 34541 1 466 . 1 . 1 35 35 PRO HD3 H 1 4.016 0.000 . . . . . . A 35 PRO HD3 . 34541 1 467 . 1 . 1 35 35 PRO C C 13 173.966 0.000 . . . . . . A 35 PRO C . 34541 1 468 . 1 . 1 35 35 PRO CA C 13 61.901 0.063 . . . . . . A 35 PRO CA . 34541 1 469 . 1 . 1 35 35 PRO CB C 13 29.188 0.005 . . . . . . A 35 PRO CB . 34541 1 470 . 1 . 1 35 35 PRO CG C 13 27.750 0.035 . . . . . . A 35 PRO CG . 34541 1 471 . 1 . 1 35 35 PRO CD C 13 51.096 0.014 . . . . . . A 35 PRO CD . 34541 1 472 . 1 . 1 36 36 MET H H 1 8.127 0.001 . . . . . . A 36 MET H . 34541 1 473 . 1 . 1 36 36 MET HA H 1 4.485 0.000 . . . . . . A 36 MET HA . 34541 1 474 . 1 . 1 36 36 MET HB2 H 1 1.722 0.000 . . . . . . A 36 MET HB2 . 34541 1 475 . 1 . 1 36 36 MET HB3 H 1 1.766 0.000 . . . . . . A 36 MET HB3 . 34541 1 476 . 1 . 1 36 36 MET HG2 H 1 0.991 0.000 . . . . . . A 36 MET HG2 . 34541 1 477 . 1 . 1 36 36 MET HG3 H 1 1.724 0.000 . . . . . . A 36 MET HG3 . 34541 1 478 . 1 . 1 36 36 MET HE1 H 1 1.281 0.000 . . . . . . A 36 MET HE1 . 34541 1 479 . 1 . 1 36 36 MET HE2 H 1 1.281 0.000 . . . . . . A 36 MET HE2 . 34541 1 480 . 1 . 1 36 36 MET HE3 H 1 1.281 0.000 . . . . . . A 36 MET HE3 . 34541 1 481 . 1 . 1 36 36 MET C C 13 174.611 0.001 . . . . . . A 36 MET C . 34541 1 482 . 1 . 1 36 36 MET CA C 13 53.251 0.027 . . . . . . A 36 MET CA . 34541 1 483 . 1 . 1 36 36 MET CB C 13 30.832 0.060 . . . . . . A 36 MET CB . 34541 1 484 . 1 . 1 36 36 MET CG C 13 29.654 0.067 . . . . . . A 36 MET CG . 34541 1 485 . 1 . 1 36 36 MET CE C 13 14.414 0.000 . . . . . . A 36 MET CE . 34541 1 486 . 1 . 1 36 36 MET N N 15 126.413 0.019 . . . . . . A 36 MET N . 34541 1 487 . 1 . 1 37 37 THR H H 1 6.563 0.002 . . . . . . A 37 THR H . 34541 1 488 . 1 . 1 37 37 THR HA H 1 4.737 0.000 . . . . . . A 37 THR HA . 34541 1 489 . 1 . 1 37 37 THR HB H 1 4.626 0.000 . . . . . . A 37 THR HB . 34541 1 490 . 1 . 1 37 37 THR HG1 H 1 5.655 0.000 . . . . . . A 37 THR HG1 . 34541 1 491 . 1 . 1 37 37 THR HG21 H 1 1.244 0.003 . . . . . . A 37 THR HG21 . 34541 1 492 . 1 . 1 37 37 THR HG22 H 1 1.244 0.003 . . . . . . A 37 THR HG22 . 34541 1 493 . 1 . 1 37 37 THR HG23 H 1 1.244 0.003 . . . . . . A 37 THR HG23 . 34541 1 494 . 1 . 1 37 37 THR C C 13 174.611 0.003 . . . . . . A 37 THR C . 34541 1 495 . 1 . 1 37 37 THR CA C 13 58.619 0.030 . . . . . . A 37 THR CA . 34541 1 496 . 1 . 1 37 37 THR CB C 13 72.721 0.008 . . . . . . A 37 THR CB . 34541 1 497 . 1 . 1 37 37 THR CG2 C 13 21.734 0.054 . . . . . . A 37 THR CG2 . 34541 1 498 . 1 . 1 37 37 THR N N 15 111.067 0.013 . . . . . . A 37 THR N . 34541 1 499 . 1 . 1 38 38 LEU H H 1 9.344 0.004 . . . . . . A 38 LEU H . 34541 1 500 . 1 . 1 38 38 LEU HA H 1 3.913 0.000 . . . . . . A 38 LEU HA . 34541 1 501 . 1 . 1 38 38 LEU HB2 H 1 1.541 0.000 . . . . . . A 38 LEU HB2 . 34541 1 502 . 1 . 1 38 38 LEU HB3 H 1 1.744 0.000 . . . . . . A 38 LEU HB3 . 34541 1 503 . 1 . 1 38 38 LEU HG H 1 1.513 0.000 . . . . . . A 38 LEU HG . 34541 1 504 . 1 . 1 38 38 LEU HD11 H 1 0.939 0.000 . . . . . . A 38 LEU HD11 . 34541 1 505 . 1 . 1 38 38 LEU HD12 H 1 0.939 0.000 . . . . . . A 38 LEU HD12 . 34541 1 506 . 1 . 1 38 38 LEU HD13 H 1 0.939 0.000 . . . . . . A 38 LEU HD13 . 34541 1 507 . 1 . 1 38 38 LEU HD21 H 1 0.899 0.000 . . . . . . A 38 LEU HD21 . 34541 1 508 . 1 . 1 38 38 LEU HD22 H 1 0.899 0.000 . . . . . . A 38 LEU HD22 . 34541 1 509 . 1 . 1 38 38 LEU HD23 H 1 0.899 0.000 . . . . . . A 38 LEU HD23 . 34541 1 510 . 1 . 1 38 38 LEU C C 13 177.988 0.002 . . . . . . A 38 LEU C . 34541 1 511 . 1 . 1 38 38 LEU CA C 13 58.211 0.076 . . . . . . A 38 LEU CA . 34541 1 512 . 1 . 1 38 38 LEU CB C 13 41.491 0.031 . . . . . . A 38 LEU CB . 34541 1 513 . 1 . 1 38 38 LEU CG C 13 27.117 0.000 . . . . . . A 38 LEU CG . 34541 1 514 . 1 . 1 38 38 LEU CD1 C 13 25.302 0.088 . . . . . . A 38 LEU CD1 . 34541 1 515 . 1 . 1 38 38 LEU CD2 C 13 23.877 0.000 . . . . . . A 38 LEU CD2 . 34541 1 516 . 1 . 1 38 38 LEU N N 15 123.908 0.042 . . . . . . A 38 LEU N . 34541 1 517 . 1 . 1 39 39 GLU H H 1 8.771 0.003 . . . . . . A 39 GLU H . 34541 1 518 . 1 . 1 39 39 GLU HA H 1 4.041 0.000 . . . . . . A 39 GLU HA . 34541 1 519 . 1 . 1 39 39 GLU HB2 H 1 2.027 0.000 . . . . . . A 39 GLU HB2 . 34541 1 520 . 1 . 1 39 39 GLU HB3 H 1 1.912 0.000 . . . . . . A 39 GLU HB3 . 34541 1 521 . 1 . 1 39 39 GLU HG2 H 1 2.281 0.000 . . . . . . A 39 GLU HG2 . 34541 1 522 . 1 . 1 39 39 GLU HG3 H 1 2.431 0.000 . . . . . . A 39 GLU HG3 . 34541 1 523 . 1 . 1 39 39 GLU C C 13 179.715 0.004 . . . . . . A 39 GLU C . 34541 1 524 . 1 . 1 39 39 GLU CA C 13 60.679 0.040 . . . . . . A 39 GLU CA . 34541 1 525 . 1 . 1 39 39 GLU CB C 13 28.705 0.021 . . . . . . A 39 GLU CB . 34541 1 526 . 1 . 1 39 39 GLU CG C 13 37.299 0.027 . . . . . . A 39 GLU CG . 34541 1 527 . 1 . 1 39 39 GLU N N 15 117.649 0.006 . . . . . . A 39 GLU N . 34541 1 528 . 1 . 1 40 40 LEU H H 1 7.741 0.001 . . . . . . A 40 LEU H . 34541 1 529 . 1 . 1 40 40 LEU HA H 1 4.244 0.000 . . . . . . A 40 LEU HA . 34541 1 530 . 1 . 1 40 40 LEU HB2 H 1 1.938 0.006 . . . . . . A 40 LEU HB2 . 34541 1 531 . 1 . 1 40 40 LEU HB3 H 1 1.221 0.011 . . . . . . A 40 LEU HB3 . 34541 1 532 . 1 . 1 40 40 LEU HG H 1 1.619 0.000 . . . . . . A 40 LEU HG . 34541 1 533 . 1 . 1 40 40 LEU HD11 H 1 0.807 0.000 . . . . . . A 40 LEU HD11 . 34541 1 534 . 1 . 1 40 40 LEU HD12 H 1 0.807 0.000 . . . . . . A 40 LEU HD12 . 34541 1 535 . 1 . 1 40 40 LEU HD13 H 1 0.807 0.000 . . . . . . A 40 LEU HD13 . 34541 1 536 . 1 . 1 40 40 LEU HD21 H 1 0.942 0.000 . . . . . . A 40 LEU HD21 . 34541 1 537 . 1 . 1 40 40 LEU HD22 H 1 0.942 0.000 . . . . . . A 40 LEU HD22 . 34541 1 538 . 1 . 1 40 40 LEU HD23 H 1 0.942 0.000 . . . . . . A 40 LEU HD23 . 34541 1 539 . 1 . 1 40 40 LEU C C 13 181.007 0.006 . . . . . . A 40 LEU C . 34541 1 540 . 1 . 1 40 40 LEU CA C 13 57.365 0.039 . . . . . . A 40 LEU CA . 34541 1 541 . 1 . 1 40 40 LEU CB C 13 43.834 0.029 . . . . . . A 40 LEU CB . 34541 1 542 . 1 . 1 40 40 LEU CG C 13 27.292 0.000 . . . . . . A 40 LEU CG . 34541 1 543 . 1 . 1 40 40 LEU CD1 C 13 23.763 0.029 . . . . . . A 40 LEU CD1 . 34541 1 544 . 1 . 1 40 40 LEU CD2 C 13 25.688 0.000 . . . . . . A 40 LEU CD2 . 34541 1 545 . 1 . 1 40 40 LEU N N 15 119.878 0.015 . . . . . . A 40 LEU N . 34541 1 546 . 1 . 1 41 41 LEU H H 1 8.120 0.002 . . . . . . A 41 LEU H . 34541 1 547 . 1 . 1 41 41 LEU HA H 1 3.684 0.002 . . . . . . A 41 LEU HA . 34541 1 548 . 1 . 1 41 41 LEU HB2 H 1 2.060 0.000 . . . . . . A 41 LEU HB2 . 34541 1 549 . 1 . 1 41 41 LEU HB3 H 1 1.241 0.004 . . . . . . A 41 LEU HB3 . 34541 1 550 . 1 . 1 41 41 LEU HG H 1 1.528 0.000 . . . . . . A 41 LEU HG . 34541 1 551 . 1 . 1 41 41 LEU HD11 H 1 0.377 0.000 . . . . . . A 41 LEU HD11 . 34541 1 552 . 1 . 1 41 41 LEU HD12 H 1 0.377 0.000 . . . . . . A 41 LEU HD12 . 34541 1 553 . 1 . 1 41 41 LEU HD13 H 1 0.377 0.000 . . . . . . A 41 LEU HD13 . 34541 1 554 . 1 . 1 41 41 LEU HD21 H 1 0.814 0.000 . . . . . . A 41 LEU HD21 . 34541 1 555 . 1 . 1 41 41 LEU HD22 H 1 0.814 0.000 . . . . . . A 41 LEU HD22 . 34541 1 556 . 1 . 1 41 41 LEU HD23 H 1 0.814 0.000 . . . . . . A 41 LEU HD23 . 34541 1 557 . 1 . 1 41 41 LEU C C 13 180.395 0.002 . . . . . . A 41 LEU C . 34541 1 558 . 1 . 1 41 41 LEU CA C 13 58.780 0.049 . . . . . . A 41 LEU CA . 34541 1 559 . 1 . 1 41 41 LEU CB C 13 42.307 0.022 . . . . . . A 41 LEU CB . 34541 1 560 . 1 . 1 41 41 LEU CG C 13 26.299 0.000 . . . . . . A 41 LEU CG . 34541 1 561 . 1 . 1 41 41 LEU CD1 C 13 22.846 0.000 . . . . . . A 41 LEU CD1 . 34541 1 562 . 1 . 1 41 41 LEU CD2 C 13 27.152 0.014 . . . . . . A 41 LEU CD2 . 34541 1 563 . 1 . 1 41 41 LEU N N 15 123.730 0.024 . . . . . . A 41 LEU N . 34541 1 564 . 1 . 1 42 42 GLN H H 1 8.274 0.002 . . . . . . A 42 GLN H . 34541 1 565 . 1 . 1 42 42 GLN HA H 1 3.922 0.001 . . . . . . A 42 GLN HA . 34541 1 566 . 1 . 1 42 42 GLN HB2 H 1 2.273 0.000 . . . . . . A 42 GLN HB2 . 34541 1 567 . 1 . 1 42 42 GLN HB3 H 1 2.006 0.000 . . . . . . A 42 GLN HB3 . 34541 1 568 . 1 . 1 42 42 GLN HG2 H 1 2.344 0.007 . . . . . . A 42 GLN HG2 . 34541 1 569 . 1 . 1 42 42 GLN HG3 H 1 2.481 0.000 . . . . . . A 42 GLN HG3 . 34541 1 570 . 1 . 1 42 42 GLN HE21 H 1 7.515 0.000 . . . . . . A 42 GLN HE21 . 34541 1 571 . 1 . 1 42 42 GLN HE22 H 1 6.729 0.000 . . . . . . A 42 GLN HE22 . 34541 1 572 . 1 . 1 42 42 GLN C C 13 178.075 0.002 . . . . . . A 42 GLN C . 34541 1 573 . 1 . 1 42 42 GLN CA C 13 58.377 0.029 . . . . . . A 42 GLN CA . 34541 1 574 . 1 . 1 42 42 GLN CB C 13 28.827 0.043 . . . . . . A 42 GLN CB . 34541 1 575 . 1 . 1 42 42 GLN CG C 13 34.044 0.023 . . . . . . A 42 GLN CG . 34541 1 576 . 1 . 1 42 42 GLN N N 15 117.528 0.046 . . . . . . A 42 GLN N . 34541 1 577 . 1 . 1 42 42 GLN NE2 N 15 110.756 0.001 . . . . . . A 42 GLN NE2 . 34541 1 578 . 1 . 1 43 43 SER H H 1 8.480 0.001 . . . . . . A 43 SER H . 34541 1 579 . 1 . 1 43 43 SER HA H 1 4.283 0.000 . . . . . . A 43 SER HA . 34541 1 580 . 1 . 1 43 43 SER HB2 H 1 3.902 0.000 . . . . . . A 43 SER HB2 . 34541 1 581 . 1 . 1 43 43 SER HB3 H 1 3.902 0.000 . . . . . . A 43 SER HB3 . 34541 1 582 . 1 . 1 43 43 SER C C 13 177.088 0.000 . . . . . . A 43 SER C . 34541 1 583 . 1 . 1 43 43 SER CA C 13 60.748 0.031 . . . . . . A 43 SER CA . 34541 1 584 . 1 . 1 43 43 SER CB C 13 63.275 0.025 . . . . . . A 43 SER CB . 34541 1 585 . 1 . 1 43 43 SER N N 15 113.080 0.009 . . . . . . A 43 SER N . 34541 1 586 . 1 . 1 44 44 THR H H 1 7.793 0.001 . . . . . . A 44 THR H . 34541 1 587 . 1 . 1 44 44 THR HA H 1 4.353 0.000 . . . . . . A 44 THR HA . 34541 1 588 . 1 . 1 44 44 THR HB H 1 4.017 0.000 . . . . . . A 44 THR HB . 34541 1 589 . 1 . 1 44 44 THR HG1 H 1 4.575 0.002 . . . . . . A 44 THR HG1 . 34541 1 590 . 1 . 1 44 44 THR HG21 H 1 1.349 0.004 . . . . . . A 44 THR HG21 . 34541 1 591 . 1 . 1 44 44 THR HG22 H 1 1.349 0.004 . . . . . . A 44 THR HG22 . 34541 1 592 . 1 . 1 44 44 THR HG23 H 1 1.349 0.004 . . . . . . A 44 THR HG23 . 34541 1 593 . 1 . 1 44 44 THR C C 13 175.092 0.002 . . . . . . A 44 THR C . 34541 1 594 . 1 . 1 44 44 THR CA C 13 62.982 0.034 . . . . . . A 44 THR CA . 34541 1 595 . 1 . 1 44 44 THR CB C 13 71.844 0.016 . . . . . . A 44 THR CB . 34541 1 596 . 1 . 1 44 44 THR CG2 C 13 21.881 0.023 . . . . . . A 44 THR CG2 . 34541 1 597 . 1 . 1 44 44 THR N N 15 109.177 0.011 . . . . . . A 44 THR N . 34541 1 598 . 1 . 1 45 45 ARG H H 1 7.342 0.003 . . . . . . A 45 ARG H . 34541 1 599 . 1 . 1 45 45 ARG HA H 1 4.221 0.000 . . . . . . A 45 ARG HA . 34541 1 600 . 1 . 1 45 45 ARG HB2 H 1 2.166 0.000 . . . . . . A 45 ARG HB2 . 34541 1 601 . 1 . 1 45 45 ARG HB3 H 1 2.099 0.000 . . . . . . A 45 ARG HB3 . 34541 1 602 . 1 . 1 45 45 ARG HG2 H 1 1.585 0.000 . . . . . . A 45 ARG HG2 . 34541 1 603 . 1 . 1 45 45 ARG HG3 H 1 1.653 0.000 . . . . . . A 45 ARG HG3 . 34541 1 604 . 1 . 1 45 45 ARG HD2 H 1 3.246 0.000 . . . . . . A 45 ARG HD2 . 34541 1 605 . 1 . 1 45 45 ARG HD3 H 1 3.246 0.000 . . . . . . A 45 ARG HD3 . 34541 1 606 . 1 . 1 45 45 ARG C C 13 178.085 0.000 . . . . . . A 45 ARG C . 34541 1 607 . 1 . 1 45 45 ARG CA C 13 57.694 0.012 . . . . . . A 45 ARG CA . 34541 1 608 . 1 . 1 45 45 ARG CB C 13 27.301 0.000 . . . . . . A 45 ARG CB . 34541 1 609 . 1 . 1 45 45 ARG CG C 13 27.804 0.088 . . . . . . A 45 ARG CG . 34541 1 610 . 1 . 1 45 45 ARG CD C 13 43.325 0.024 . . . . . . A 45 ARG CD . 34541 1 611 . 1 . 1 45 45 ARG N N 15 112.998 0.014 . . . . . . A 45 ARG N . 34541 1 612 . 1 . 1 46 46 ILE H H 1 7.742 0.002 . . . . . . A 46 ILE H . 34541 1 613 . 1 . 1 46 46 ILE HA H 1 4.151 0.000 . . . . . . A 46 ILE HA . 34541 1 614 . 1 . 1 46 46 ILE HB H 1 1.768 0.000 . . . . . . A 46 ILE HB . 34541 1 615 . 1 . 1 46 46 ILE HG12 H 1 1.352 0.000 . . . . . . A 46 ILE HG12 . 34541 1 616 . 1 . 1 46 46 ILE HG13 H 1 1.658 0.000 . . . . . . A 46 ILE HG13 . 34541 1 617 . 1 . 1 46 46 ILE HG21 H 1 0.445 0.000 . . . . . . A 46 ILE HG21 . 34541 1 618 . 1 . 1 46 46 ILE HG22 H 1 0.445 0.000 . . . . . . A 46 ILE HG22 . 34541 1 619 . 1 . 1 46 46 ILE HG23 H 1 0.445 0.000 . . . . . . A 46 ILE HG23 . 34541 1 620 . 1 . 1 46 46 ILE HD11 H 1 1.128 0.000 . . . . . . A 46 ILE HD11 . 34541 1 621 . 1 . 1 46 46 ILE HD12 H 1 1.128 0.000 . . . . . . A 46 ILE HD12 . 34541 1 622 . 1 . 1 46 46 ILE HD13 H 1 1.128 0.000 . . . . . . A 46 ILE HD13 . 34541 1 623 . 1 . 1 46 46 ILE C C 13 176.064 0.001 . . . . . . A 46 ILE C . 34541 1 624 . 1 . 1 46 46 ILE CA C 13 61.705 0.029 . . . . . . A 46 ILE CA . 34541 1 625 . 1 . 1 46 46 ILE CB C 13 38.329 0.022 . . . . . . A 46 ILE CB . 34541 1 626 . 1 . 1 46 46 ILE CG1 C 13 29.731 0.071 . . . . . . A 46 ILE CG1 . 34541 1 627 . 1 . 1 46 46 ILE CG2 C 13 18.729 0.038 . . . . . . A 46 ILE CG2 . 34541 1 628 . 1 . 1 46 46 ILE CD1 C 13 15.151 0.034 . . . . . . A 46 ILE CD1 . 34541 1 629 . 1 . 1 46 46 ILE N N 15 118.105 0.010 . . . . . . A 46 ILE N . 34541 1 630 . 1 . 1 47 47 GLY H H 1 9.184 0.001 . . . . . . A 47 GLY H . 34541 1 631 . 1 . 1 47 47 GLY HA2 H 1 3.983 0.000 . . . . . . A 47 GLY HA2 . 34541 1 632 . 1 . 1 47 47 GLY HA3 H 1 3.709 0.000 . . . . . . A 47 GLY HA3 . 34541 1 633 . 1 . 1 47 47 GLY C C 13 175.537 0.009 . . . . . . A 47 GLY C . 34541 1 634 . 1 . 1 47 47 GLY CA C 13 47.843 0.024 . . . . . . A 47 GLY CA . 34541 1 635 . 1 . 1 47 47 GLY N N 15 111.461 0.018 . . . . . . A 47 GLY N . 34541 1 636 . 1 . 1 48 48 MET H H 1 7.142 0.002 . . . . . . A 48 MET H . 34541 1 637 . 1 . 1 48 48 MET HA H 1 4.312 0.000 . . . . . . A 48 MET HA . 34541 1 638 . 1 . 1 48 48 MET HB2 H 1 2.345 0.000 . . . . . . A 48 MET HB2 . 34541 1 639 . 1 . 1 48 48 MET HB3 H 1 2.501 0.000 . . . . . . A 48 MET HB3 . 34541 1 640 . 1 . 1 48 48 MET HG2 H 1 2.213 0.000 . . . . . . A 48 MET HG2 . 34541 1 641 . 1 . 1 48 48 MET HG3 H 1 2.247 0.000 . . . . . . A 48 MET HG3 . 34541 1 642 . 1 . 1 48 48 MET HE1 H 1 2.096 0.000 . . . . . . A 48 MET HE1 . 34541 1 643 . 1 . 1 48 48 MET HE2 H 1 2.096 0.000 . . . . . . A 48 MET HE2 . 34541 1 644 . 1 . 1 48 48 MET HE3 H 1 2.096 0.000 . . . . . . A 48 MET HE3 . 34541 1 645 . 1 . 1 48 48 MET C C 13 179.735 0.005 . . . . . . A 48 MET C . 34541 1 646 . 1 . 1 48 48 MET CA C 13 58.357 0.021 . . . . . . A 48 MET CA . 34541 1 647 . 1 . 1 48 48 MET CB C 13 32.306 0.050 . . . . . . A 48 MET CB . 34541 1 648 . 1 . 1 48 48 MET CG C 13 32.341 0.043 . . . . . . A 48 MET CG . 34541 1 649 . 1 . 1 48 48 MET CE C 13 17.185 0.000 . . . . . . A 48 MET CE . 34541 1 650 . 1 . 1 48 48 MET N N 15 120.503 0.016 . . . . . . A 48 MET N . 34541 1 651 . 1 . 1 49 49 SER H H 1 7.698 0.002 . . . . . . A 49 SER H . 34541 1 652 . 1 . 1 49 49 SER HA H 1 4.419 0.000 . . . . . . A 49 SER HA . 34541 1 653 . 1 . 1 49 49 SER HB2 H 1 4.041 0.000 . . . . . . A 49 SER HB2 . 34541 1 654 . 1 . 1 49 49 SER HB3 H 1 4.109 0.000 . . . . . . A 49 SER HB3 . 34541 1 655 . 1 . 1 49 49 SER C C 13 176.092 0.000 . . . . . . A 49 SER C . 34541 1 656 . 1 . 1 49 49 SER CA C 13 63.171 0.063 . . . . . . A 49 SER CA . 34541 1 657 . 1 . 1 49 49 SER CB C 13 63.079 0.029 . . . . . . A 49 SER CB . 34541 1 658 . 1 . 1 49 49 SER N N 15 118.110 0.008 . . . . . . A 49 SER N . 34541 1 659 . 1 . 1 50 50 VAL H H 1 8.401 0.002 . . . . . . A 50 VAL H . 34541 1 660 . 1 . 1 50 50 VAL HA H 1 3.692 0.000 . . . . . . A 50 VAL HA . 34541 1 661 . 1 . 1 50 50 VAL HB H 1 2.269 0.000 . . . . . . A 50 VAL HB . 34541 1 662 . 1 . 1 50 50 VAL HG11 H 1 0.906 0.000 . . . . . . A 50 VAL HG11 . 34541 1 663 . 1 . 1 50 50 VAL HG12 H 1 0.906 0.000 . . . . . . A 50 VAL HG12 . 34541 1 664 . 1 . 1 50 50 VAL HG13 H 1 0.906 0.000 . . . . . . A 50 VAL HG13 . 34541 1 665 . 1 . 1 50 50 VAL HG21 H 1 1.230 0.000 . . . . . . A 50 VAL HG21 . 34541 1 666 . 1 . 1 50 50 VAL HG22 H 1 1.230 0.000 . . . . . . A 50 VAL HG22 . 34541 1 667 . 1 . 1 50 50 VAL HG23 H 1 1.230 0.000 . . . . . . A 50 VAL HG23 . 34541 1 668 . 1 . 1 50 50 VAL C C 13 177.819 0.008 . . . . . . A 50 VAL C . 34541 1 669 . 1 . 1 50 50 VAL CA C 13 66.929 0.041 . . . . . . A 50 VAL CA . 34541 1 670 . 1 . 1 50 50 VAL CB C 13 31.849 0.039 . . . . . . A 50 VAL CB . 34541 1 671 . 1 . 1 50 50 VAL CG1 C 13 22.889 0.035 . . . . . . A 50 VAL CG1 . 34541 1 672 . 1 . 1 50 50 VAL CG2 C 13 24.864 0.038 . . . . . . A 50 VAL CG2 . 34541 1 673 . 1 . 1 50 50 VAL N N 15 120.883 0.025 . . . . . . A 50 VAL N . 34541 1 674 . 1 . 1 51 51 ASN H H 1 8.273 0.001 . . . . . . A 51 ASN H . 34541 1 675 . 1 . 1 51 51 ASN HA H 1 4.565 0.000 . . . . . . A 51 ASN HA . 34541 1 676 . 1 . 1 51 51 ASN HB2 H 1 3.155 0.000 . . . . . . A 51 ASN HB2 . 34541 1 677 . 1 . 1 51 51 ASN HB3 H 1 3.155 0.000 . . . . . . A 51 ASN HB3 . 34541 1 678 . 1 . 1 51 51 ASN HD21 H 1 7.778 0.000 . . . . . . A 51 ASN HD21 . 34541 1 679 . 1 . 1 51 51 ASN HD22 H 1 7.222 0.000 . . . . . . A 51 ASN HD22 . 34541 1 680 . 1 . 1 51 51 ASN C C 13 176.917 0.001 . . . . . . A 51 ASN C . 34541 1 681 . 1 . 1 51 51 ASN CA C 13 55.942 0.021 . . . . . . A 51 ASN CA . 34541 1 682 . 1 . 1 51 51 ASN CB C 13 38.735 0.023 . . . . . . A 51 ASN CB . 34541 1 683 . 1 . 1 51 51 ASN N N 15 119.006 0.008 . . . . . . A 51 ASN N . 34541 1 684 . 1 . 1 51 51 ASN ND2 N 15 113.498 0.004 . . . . . . A 51 ASN ND2 . 34541 1 685 . 1 . 1 52 52 ALA H H 1 8.111 0.001 . . . . . . A 52 ALA H . 34541 1 686 . 1 . 1 52 52 ALA HA H 1 4.153 0.000 . . . . . . A 52 ALA HA . 34541 1 687 . 1 . 1 52 52 ALA HB1 H 1 1.655 0.000 . . . . . . A 52 ALA HB1 . 34541 1 688 . 1 . 1 52 52 ALA HB2 H 1 1.655 0.000 . . . . . . A 52 ALA HB2 . 34541 1 689 . 1 . 1 52 52 ALA HB3 H 1 1.655 0.000 . . . . . . A 52 ALA HB3 . 34541 1 690 . 1 . 1 52 52 ALA C C 13 180.982 0.009 . . . . . . A 52 ALA C . 34541 1 691 . 1 . 1 52 52 ALA CA C 13 55.537 0.037 . . . . . . A 52 ALA CA . 34541 1 692 . 1 . 1 52 52 ALA CB C 13 18.688 0.031 . . . . . . A 52 ALA CB . 34541 1 693 . 1 . 1 52 52 ALA N N 15 121.044 0.006 . . . . . . A 52 ALA N . 34541 1 694 . 1 . 1 53 53 ILE H H 1 7.867 0.001 . . . . . . A 53 ILE H . 34541 1 695 . 1 . 1 53 53 ILE HA H 1 3.740 0.001 . . . . . . A 53 ILE HA . 34541 1 696 . 1 . 1 53 53 ILE HB H 1 2.275 0.000 . . . . . . A 53 ILE HB . 34541 1 697 . 1 . 1 53 53 ILE HG12 H 1 1.521 0.000 . . . . . . A 53 ILE HG12 . 34541 1 698 . 1 . 1 53 53 ILE HG13 H 1 1.580 0.000 . . . . . . A 53 ILE HG13 . 34541 1 699 . 1 . 1 53 53 ILE HG21 H 1 0.858 0.000 . . . . . . A 53 ILE HG21 . 34541 1 700 . 1 . 1 53 53 ILE HG22 H 1 0.858 0.000 . . . . . . A 53 ILE HG22 . 34541 1 701 . 1 . 1 53 53 ILE HG23 H 1 0.858 0.000 . . . . . . A 53 ILE HG23 . 34541 1 702 . 1 . 1 53 53 ILE HD11 H 1 0.859 0.000 . . . . . . A 53 ILE HD11 . 34541 1 703 . 1 . 1 53 53 ILE HD12 H 1 0.859 0.000 . . . . . . A 53 ILE HD12 . 34541 1 704 . 1 . 1 53 53 ILE HD13 H 1 0.859 0.000 . . . . . . A 53 ILE HD13 . 34541 1 705 . 1 . 1 53 53 ILE C C 13 177.463 0.004 . . . . . . A 53 ILE C . 34541 1 706 . 1 . 1 53 53 ILE CA C 13 62.233 0.018 . . . . . . A 53 ILE CA . 34541 1 707 . 1 . 1 53 53 ILE CB C 13 36.004 0.029 . . . . . . A 53 ILE CB . 34541 1 708 . 1 . 1 53 53 ILE CG1 C 13 28.397 0.035 . . . . . . A 53 ILE CG1 . 34541 1 709 . 1 . 1 53 53 ILE CG2 C 13 17.566 0.028 . . . . . . A 53 ILE CG2 . 34541 1 710 . 1 . 1 53 53 ILE CD1 C 13 11.436 0.025 . . . . . . A 53 ILE CD1 . 34541 1 711 . 1 . 1 53 53 ILE N N 15 119.820 0.006 . . . . . . A 53 ILE N . 34541 1 712 . 1 . 1 54 54 ARG H H 1 8.168 0.001 . . . . . . A 54 ARG H . 34541 1 713 . 1 . 1 54 54 ARG HA H 1 3.630 0.002 . . . . . . A 54 ARG HA . 34541 1 714 . 1 . 1 54 54 ARG HB2 H 1 1.769 0.000 . . . . . . A 54 ARG HB2 . 34541 1 715 . 1 . 1 54 54 ARG HB3 H 1 2.469 0.000 . . . . . . A 54 ARG HB3 . 34541 1 716 . 1 . 1 54 54 ARG HG2 H 1 1.652 0.000 . . . . . . A 54 ARG HG2 . 34541 1 717 . 1 . 1 54 54 ARG HG3 H 1 1.652 0.000 . . . . . . A 54 ARG HG3 . 34541 1 718 . 1 . 1 54 54 ARG HD2 H 1 3.340 0.001 . . . . . . A 54 ARG HD2 . 34541 1 719 . 1 . 1 54 54 ARG HD3 H 1 2.840 0.002 . . . . . . A 54 ARG HD3 . 34541 1 720 . 1 . 1 54 54 ARG C C 13 177.622 0.014 . . . . . . A 54 ARG C . 34541 1 721 . 1 . 1 54 54 ARG CA C 13 59.857 0.026 . . . . . . A 54 ARG CA . 34541 1 722 . 1 . 1 54 54 ARG CB C 13 29.509 0.047 . . . . . . A 54 ARG CB . 34541 1 723 . 1 . 1 54 54 ARG CG C 13 26.964 0.035 . . . . . . A 54 ARG CG . 34541 1 724 . 1 . 1 54 54 ARG CD C 13 43.510 0.024 . . . . . . A 54 ARG CD . 34541 1 725 . 1 . 1 54 54 ARG N N 15 120.583 0.016 . . . . . . A 54 ARG N . 34541 1 726 . 1 . 1 55 55 LYS H H 1 7.821 0.002 . . . . . . A 55 LYS H . 34541 1 727 . 1 . 1 55 55 LYS HA H 1 3.991 0.000 . . . . . . A 55 LYS HA . 34541 1 728 . 1 . 1 55 55 LYS HB2 H 1 1.850 0.000 . . . . . . A 55 LYS HB2 . 34541 1 729 . 1 . 1 55 55 LYS HB3 H 1 1.914 0.000 . . . . . . A 55 LYS HB3 . 34541 1 730 . 1 . 1 55 55 LYS HG2 H 1 1.437 0.001 . . . . . . A 55 LYS HG2 . 34541 1 731 . 1 . 1 55 55 LYS HG3 H 1 1.635 0.000 . . . . . . A 55 LYS HG3 . 34541 1 732 . 1 . 1 55 55 LYS HD2 H 1 1.695 0.000 . . . . . . A 55 LYS HD2 . 34541 1 733 . 1 . 1 55 55 LYS HD3 H 1 1.658 0.000 . . . . . . A 55 LYS HD3 . 34541 1 734 . 1 . 1 55 55 LYS HE2 H 1 2.906 0.000 . . . . . . A 55 LYS HE2 . 34541 1 735 . 1 . 1 55 55 LYS HE3 H 1 2.906 0.000 . . . . . . A 55 LYS HE3 . 34541 1 736 . 1 . 1 55 55 LYS C C 13 177.593 0.002 . . . . . . A 55 LYS C . 34541 1 737 . 1 . 1 55 55 LYS CA C 13 58.878 0.009 . . . . . . A 55 LYS CA . 34541 1 738 . 1 . 1 55 55 LYS CB C 13 32.914 0.034 . . . . . . A 55 LYS CB . 34541 1 739 . 1 . 1 55 55 LYS CG C 13 25.695 0.030 . . . . . . A 55 LYS CG . 34541 1 740 . 1 . 1 55 55 LYS CD C 13 29.465 0.012 . . . . . . A 55 LYS CD . 34541 1 741 . 1 . 1 55 55 LYS N N 15 115.587 0.012 . . . . . . A 55 LYS N . 34541 1 742 . 1 . 1 56 56 GLN H H 1 7.499 0.002 . . . . . . A 56 GLN H . 34541 1 743 . 1 . 1 56 56 GLN HA H 1 4.351 0.000 . . . . . . A 56 GLN HA . 34541 1 744 . 1 . 1 56 56 GLN HB2 H 1 2.139 0.000 . . . . . . A 56 GLN HB2 . 34541 1 745 . 1 . 1 56 56 GLN HB3 H 1 2.067 0.000 . . . . . . A 56 GLN HB3 . 34541 1 746 . 1 . 1 56 56 GLN HG2 H 1 2.377 0.000 . . . . . . A 56 GLN HG2 . 34541 1 747 . 1 . 1 56 56 GLN HG3 H 1 2.476 0.000 . . . . . . A 56 GLN HG3 . 34541 1 748 . 1 . 1 56 56 GLN HE21 H 1 6.885 0.000 . . . . . . A 56 GLN HE21 . 34541 1 749 . 1 . 1 56 56 GLN HE22 H 1 7.552 0.000 . . . . . . A 56 GLN HE22 . 34541 1 750 . 1 . 1 56 56 GLN C C 13 176.106 0.009 . . . . . . A 56 GLN C . 34541 1 751 . 1 . 1 56 56 GLN CA C 13 55.960 0.034 . . . . . . A 56 GLN CA . 34541 1 752 . 1 . 1 56 56 GLN CB C 13 30.352 0.026 . . . . . . A 56 GLN CB . 34541 1 753 . 1 . 1 56 56 GLN CG C 13 34.386 0.028 . . . . . . A 56 GLN CG . 34541 1 754 . 1 . 1 56 56 GLN N N 15 115.611 0.009 . . . . . . A 56 GLN N . 34541 1 755 . 1 . 1 56 56 GLN NE2 N 15 111.266 0.002 . . . . . . A 56 GLN NE2 . 34541 1 756 . 1 . 1 57 57 SER H H 1 7.589 0.002 . . . . . . A 57 SER H . 34541 1 757 . 1 . 1 57 57 SER HA H 1 4.333 0.000 . . . . . . A 57 SER HA . 34541 1 758 . 1 . 1 57 57 SER HB2 H 1 3.773 0.000 . . . . . . A 57 SER HB2 . 34541 1 759 . 1 . 1 57 57 SER HB3 H 1 3.845 0.000 . . . . . . A 57 SER HB3 . 34541 1 760 . 1 . 1 57 57 SER C C 13 175.543 0.010 . . . . . . A 57 SER C . 34541 1 761 . 1 . 1 57 57 SER CA C 13 58.695 0.051 . . . . . . A 57 SER CA . 34541 1 762 . 1 . 1 57 57 SER CB C 13 64.307 0.033 . . . . . . A 57 SER CB . 34541 1 763 . 1 . 1 57 57 SER N N 15 113.080 0.012 . . . . . . A 57 SER N . 34541 1 764 . 1 . 1 58 58 THR H H 1 8.444 0.002 . . . . . . A 58 THR H . 34541 1 765 . 1 . 1 58 58 THR HA H 1 4.516 0.000 . . . . . . A 58 THR HA . 34541 1 766 . 1 . 1 58 58 THR HB H 1 4.622 0.000 . . . . . . A 58 THR HB . 34541 1 767 . 1 . 1 58 58 THR HG21 H 1 1.238 0.000 . . . . . . A 58 THR HG21 . 34541 1 768 . 1 . 1 58 58 THR HG22 H 1 1.238 0.000 . . . . . . A 58 THR HG22 . 34541 1 769 . 1 . 1 58 58 THR HG23 H 1 1.238 0.000 . . . . . . A 58 THR HG23 . 34541 1 770 . 1 . 1 58 58 THR C C 13 173.784 0.000 . . . . . . A 58 THR C . 34541 1 771 . 1 . 1 58 58 THR CA C 13 61.000 0.075 . . . . . . A 58 THR CA . 34541 1 772 . 1 . 1 58 58 THR CB C 13 68.905 0.025 . . . . . . A 58 THR CB . 34541 1 773 . 1 . 1 58 58 THR CG2 C 13 21.485 0.031 . . . . . . A 58 THR CG2 . 34541 1 774 . 1 . 1 58 58 THR N N 15 116.145 0.033 . . . . . . A 58 THR N . 34541 1 775 . 1 . 1 59 59 ASP H H 1 8.280 0.001 . . . . . . A 59 ASP H . 34541 1 776 . 1 . 1 59 59 ASP HA H 1 4.837 0.000 . . . . . . A 59 ASP HA . 34541 1 777 . 1 . 1 59 59 ASP HB2 H 1 2.562 0.000 . . . . . . A 59 ASP HB2 . 34541 1 778 . 1 . 1 59 59 ASP HB3 H 1 2.776 0.000 . . . . . . A 59 ASP HB3 . 34541 1 779 . 1 . 1 59 59 ASP C C 13 176.353 0.007 . . . . . . A 59 ASP C . 34541 1 780 . 1 . 1 59 59 ASP CA C 13 53.239 0.036 . . . . . . A 59 ASP CA . 34541 1 781 . 1 . 1 59 59 ASP CB C 13 43.323 0.024 . . . . . . A 59 ASP CB . 34541 1 782 . 1 . 1 59 59 ASP N N 15 124.709 0.013 . . . . . . A 59 ASP N . 34541 1 783 . 1 . 1 60 60 GLU H H 1 9.169 0.003 . . . . . . A 60 GLU H . 34541 1 784 . 1 . 1 60 60 GLU HA H 1 4.070 0.000 . . . . . . A 60 GLU HA . 34541 1 785 . 1 . 1 60 60 GLU HB2 H 1 2.060 0.000 . . . . . . A 60 GLU HB2 . 34541 1 786 . 1 . 1 60 60 GLU HB3 H 1 2.060 0.000 . . . . . . A 60 GLU HB3 . 34541 1 787 . 1 . 1 60 60 GLU HG2 H 1 2.353 0.000 . . . . . . A 60 GLU HG2 . 34541 1 788 . 1 . 1 60 60 GLU HG3 H 1 2.353 0.000 . . . . . . A 60 GLU HG3 . 34541 1 789 . 1 . 1 60 60 GLU C C 13 178.465 0.001 . . . . . . A 60 GLU C . 34541 1 790 . 1 . 1 60 60 GLU CA C 13 59.496 0.090 . . . . . . A 60 GLU CA . 34541 1 791 . 1 . 1 60 60 GLU CB C 13 29.700 0.000 . . . . . . A 60 GLU CB . 34541 1 792 . 1 . 1 60 60 GLU CG C 13 36.271 0.003 . . . . . . A 60 GLU CG . 34541 1 793 . 1 . 1 60 60 GLU N N 15 127.993 0.005 . . . . . . A 60 GLU N . 34541 1 794 . 1 . 1 61 61 GLU H H 1 8.513 0.002 . . . . . . A 61 GLU H . 34541 1 795 . 1 . 1 61 61 GLU HA H 1 4.053 0.000 . . . . . . A 61 GLU HA . 34541 1 796 . 1 . 1 61 61 GLU HB2 H 1 2.133 0.000 . . . . . . A 61 GLU HB2 . 34541 1 797 . 1 . 1 61 61 GLU HB3 H 1 2.062 0.000 . . . . . . A 61 GLU HB3 . 34541 1 798 . 1 . 1 61 61 GLU HG2 H 1 2.207 0.000 . . . . . . A 61 GLU HG2 . 34541 1 799 . 1 . 1 61 61 GLU HG3 H 1 2.382 0.000 . . . . . . A 61 GLU HG3 . 34541 1 800 . 1 . 1 61 61 GLU C C 13 179.433 0.003 . . . . . . A 61 GLU C . 34541 1 801 . 1 . 1 61 61 GLU CA C 13 59.715 0.042 . . . . . . A 61 GLU CA . 34541 1 802 . 1 . 1 61 61 GLU CB C 13 29.557 0.036 . . . . . . A 61 GLU CB . 34541 1 803 . 1 . 1 61 61 GLU CG C 13 36.901 0.038 . . . . . . A 61 GLU CG . 34541 1 804 . 1 . 1 61 61 GLU N N 15 120.441 0.031 . . . . . . A 61 GLU N . 34541 1 805 . 1 . 1 62 62 VAL H H 1 7.748 0.001 . . . . . . A 62 VAL H . 34541 1 806 . 1 . 1 62 62 VAL HA H 1 3.398 0.000 . . . . . . A 62 VAL HA . 34541 1 807 . 1 . 1 62 62 VAL HB H 1 2.410 0.000 . . . . . . A 62 VAL HB . 34541 1 808 . 1 . 1 62 62 VAL HG11 H 1 0.763 0.000 . . . . . . A 62 VAL HG11 . 34541 1 809 . 1 . 1 62 62 VAL HG12 H 1 0.763 0.000 . . . . . . A 62 VAL HG12 . 34541 1 810 . 1 . 1 62 62 VAL HG13 H 1 0.763 0.000 . . . . . . A 62 VAL HG13 . 34541 1 811 . 1 . 1 62 62 VAL HG21 H 1 1.067 0.000 . . . . . . A 62 VAL HG21 . 34541 1 812 . 1 . 1 62 62 VAL HG22 H 1 1.067 0.000 . . . . . . A 62 VAL HG22 . 34541 1 813 . 1 . 1 62 62 VAL HG23 H 1 1.067 0.000 . . . . . . A 62 VAL HG23 . 34541 1 814 . 1 . 1 62 62 VAL C C 13 177.615 0.007 . . . . . . A 62 VAL C . 34541 1 815 . 1 . 1 62 62 VAL CA C 13 66.611 0.007 . . . . . . A 62 VAL CA . 34541 1 816 . 1 . 1 62 62 VAL CB C 13 32.002 0.022 . . . . . . A 62 VAL CB . 34541 1 817 . 1 . 1 62 62 VAL CG1 C 13 21.406 0.052 . . . . . . A 62 VAL CG1 . 34541 1 818 . 1 . 1 62 62 VAL CG2 C 13 23.964 0.086 . . . . . . A 62 VAL CG2 . 34541 1 819 . 1 . 1 62 62 VAL N N 15 120.419 0.039 . . . . . . A 62 VAL N . 34541 1 820 . 1 . 1 63 63 THR H H 1 8.568 0.001 . . . . . . A 63 THR H . 34541 1 821 . 1 . 1 63 63 THR HA H 1 3.611 0.000 . . . . . . A 63 THR HA . 34541 1 822 . 1 . 1 63 63 THR HB H 1 4.155 0.000 . . . . . . A 63 THR HB . 34541 1 823 . 1 . 1 63 63 THR HG21 H 1 1.301 0.000 . . . . . . A 63 THR HG21 . 34541 1 824 . 1 . 1 63 63 THR HG22 H 1 1.301 0.000 . . . . . . A 63 THR HG22 . 34541 1 825 . 1 . 1 63 63 THR HG23 H 1 1.301 0.000 . . . . . . A 63 THR HG23 . 34541 1 826 . 1 . 1 63 63 THR C C 13 176.755 0.000 . . . . . . A 63 THR C . 34541 1 827 . 1 . 1 63 63 THR CA C 13 67.430 0.045 . . . . . . A 63 THR CA . 34541 1 828 . 1 . 1 63 63 THR CB C 13 68.345 0.020 . . . . . . A 63 THR CB . 34541 1 829 . 1 . 1 63 63 THR CG2 C 13 22.774 0.009 . . . . . . A 63 THR CG2 . 34541 1 830 . 1 . 1 63 63 THR N N 15 114.101 0.007 . . . . . . A 63 THR N . 34541 1 831 . 1 . 1 64 64 SER H H 1 8.289 0.001 . . . . . . A 64 SER H . 34541 1 832 . 1 . 1 64 64 SER HA H 1 4.087 0.000 . . . . . . A 64 SER HA . 34541 1 833 . 1 . 1 64 64 SER HB2 H 1 3.984 0.000 . . . . . . A 64 SER HB2 . 34541 1 834 . 1 . 1 64 64 SER HB3 H 1 3.922 0.000 . . . . . . A 64 SER HB3 . 34541 1 835 . 1 . 1 64 64 SER C C 13 177.378 0.000 . . . . . . A 64 SER C . 34541 1 836 . 1 . 1 64 64 SER CA C 13 61.951 0.037 . . . . . . A 64 SER CA . 34541 1 837 . 1 . 1 64 64 SER CB C 13 62.853 0.019 . . . . . . A 64 SER CB . 34541 1 838 . 1 . 1 64 64 SER N N 15 116.184 0.017 . . . . . . A 64 SER N . 34541 1 839 . 1 . 1 65 65 LEU H H 1 7.769 0.001 . . . . . . A 65 LEU H . 34541 1 840 . 1 . 1 65 65 LEU HA H 1 4.183 0.000 . . . . . . A 65 LEU HA . 34541 1 841 . 1 . 1 65 65 LEU HB2 H 1 1.738 0.000 . . . . . . A 65 LEU HB2 . 34541 1 842 . 1 . 1 65 65 LEU HB3 H 1 1.605 0.000 . . . . . . A 65 LEU HB3 . 34541 1 843 . 1 . 1 65 65 LEU HG H 1 1.536 0.000 . . . . . . A 65 LEU HG . 34541 1 844 . 1 . 1 65 65 LEU HD11 H 1 0.815 0.000 . . . . . . A 65 LEU HD11 . 34541 1 845 . 1 . 1 65 65 LEU HD12 H 1 0.815 0.000 . . . . . . A 65 LEU HD12 . 34541 1 846 . 1 . 1 65 65 LEU HD13 H 1 0.815 0.000 . . . . . . A 65 LEU HD13 . 34541 1 847 . 1 . 1 65 65 LEU HD21 H 1 0.884 0.000 . . . . . . A 65 LEU HD21 . 34541 1 848 . 1 . 1 65 65 LEU HD22 H 1 0.884 0.000 . . . . . . A 65 LEU HD22 . 34541 1 849 . 1 . 1 65 65 LEU HD23 H 1 0.884 0.000 . . . . . . A 65 LEU HD23 . 34541 1 850 . 1 . 1 65 65 LEU C C 13 178.898 0.009 . . . . . . A 65 LEU C . 34541 1 851 . 1 . 1 65 65 LEU CA C 13 57.785 0.042 . . . . . . A 65 LEU CA . 34541 1 852 . 1 . 1 65 65 LEU CB C 13 41.525 0.032 . . . . . . A 65 LEU CB . 34541 1 853 . 1 . 1 65 65 LEU CG C 13 27.822 0.062 . . . . . . A 65 LEU CG . 34541 1 854 . 1 . 1 65 65 LEU CD1 C 13 26.376 0.073 . . . . . . A 65 LEU CD1 . 34541 1 855 . 1 . 1 65 65 LEU CD2 C 13 24.121 0.000 . . . . . . A 65 LEU CD2 . 34541 1 856 . 1 . 1 65 65 LEU N N 15 124.302 0.010 . . . . . . A 65 LEU N . 34541 1 857 . 1 . 1 66 66 ALA H H 1 8.675 0.001 . . . . . . A 66 ALA H . 34541 1 858 . 1 . 1 66 66 ALA HA H 1 3.731 0.000 . . . . . . A 66 ALA HA . 34541 1 859 . 1 . 1 66 66 ALA HB1 H 1 1.368 0.000 . . . . . . A 66 ALA HB1 . 34541 1 860 . 1 . 1 66 66 ALA HB2 H 1 1.368 0.000 . . . . . . A 66 ALA HB2 . 34541 1 861 . 1 . 1 66 66 ALA HB3 H 1 1.368 0.000 . . . . . . A 66 ALA HB3 . 34541 1 862 . 1 . 1 66 66 ALA C C 13 178.866 0.007 . . . . . . A 66 ALA C . 34541 1 863 . 1 . 1 66 66 ALA CA C 13 55.761 0.016 . . . . . . A 66 ALA CA . 34541 1 864 . 1 . 1 66 66 ALA CB C 13 17.812 0.003 . . . . . . A 66 ALA CB . 34541 1 865 . 1 . 1 66 66 ALA N N 15 121.046 0.009 . . . . . . A 66 ALA N . 34541 1 866 . 1 . 1 67 67 LYS H H 1 8.319 0.001 . . . . . . A 67 LYS H . 34541 1 867 . 1 . 1 67 67 LYS HA H 1 3.727 0.001 . . . . . . A 67 LYS HA . 34541 1 868 . 1 . 1 67 67 LYS HB2 H 1 1.857 0.000 . . . . . . A 67 LYS HB2 . 34541 1 869 . 1 . 1 67 67 LYS HB3 H 1 1.857 0.000 . . . . . . A 67 LYS HB3 . 34541 1 870 . 1 . 1 67 67 LYS HG2 H 1 1.602 0.000 . . . . . . A 67 LYS HG2 . 34541 1 871 . 1 . 1 67 67 LYS HG3 H 1 1.377 0.006 . . . . . . A 67 LYS HG3 . 34541 1 872 . 1 . 1 67 67 LYS HD2 H 1 1.663 0.000 . . . . . . A 67 LYS HD2 . 34541 1 873 . 1 . 1 67 67 LYS HD3 H 1 1.663 0.000 . . . . . . A 67 LYS HD3 . 34541 1 874 . 1 . 1 67 67 LYS HE2 H 1 2.892 0.000 . . . . . . A 67 LYS HE2 . 34541 1 875 . 1 . 1 67 67 LYS HE3 H 1 2.892 0.000 . . . . . . A 67 LYS HE3 . 34541 1 876 . 1 . 1 67 67 LYS C C 13 178.958 0.016 . . . . . . A 67 LYS C . 34541 1 877 . 1 . 1 67 67 LYS CA C 13 60.331 0.041 . . . . . . A 67 LYS CA . 34541 1 878 . 1 . 1 67 67 LYS CB C 13 32.599 0.036 . . . . . . A 67 LYS CB . 34541 1 879 . 1 . 1 67 67 LYS CG C 13 25.897 0.046 . . . . . . A 67 LYS CG . 34541 1 880 . 1 . 1 67 67 LYS CD C 13 29.728 0.040 . . . . . . A 67 LYS CD . 34541 1 881 . 1 . 1 67 67 LYS N N 15 115.363 0.007 . . . . . . A 67 LYS N . 34541 1 882 . 1 . 1 68 68 SER H H 1 7.877 0.001 . . . . . . A 68 SER H . 34541 1 883 . 1 . 1 68 68 SER HA H 1 4.084 0.000 . . . . . . A 68 SER HA . 34541 1 884 . 1 . 1 68 68 SER HB2 H 1 3.957 0.000 . . . . . . A 68 SER HB2 . 34541 1 885 . 1 . 1 68 68 SER HB3 H 1 3.957 0.000 . . . . . . A 68 SER HB3 . 34541 1 886 . 1 . 1 68 68 SER C C 13 177.131 0.000 . . . . . . A 68 SER C . 34541 1 887 . 1 . 1 68 68 SER CA C 13 61.616 0.018 . . . . . . A 68 SER CA . 34541 1 888 . 1 . 1 68 68 SER CB C 13 62.758 0.020 . . . . . . A 68 SER CB . 34541 1 889 . 1 . 1 68 68 SER N N 15 115.477 0.013 . . . . . . A 68 SER N . 34541 1 890 . 1 . 1 69 69 LEU H H 1 7.955 0.001 . . . . . . A 69 LEU H . 34541 1 891 . 1 . 1 69 69 LEU HA H 1 3.445 0.000 . . . . . . A 69 LEU HA . 34541 1 892 . 1 . 1 69 69 LEU HB2 H 1 -0.148 0.000 . . . . . . A 69 LEU HB2 . 34541 1 893 . 1 . 1 69 69 LEU HB3 H 1 1.319 0.007 . . . . . . A 69 LEU HB3 . 34541 1 894 . 1 . 1 69 69 LEU HG H 1 1.257 0.000 . . . . . . A 69 LEU HG . 34541 1 895 . 1 . 1 69 69 LEU HD11 H 1 0.664 0.000 . . . . . . A 69 LEU HD11 . 34541 1 896 . 1 . 1 69 69 LEU HD12 H 1 0.664 0.000 . . . . . . A 69 LEU HD12 . 34541 1 897 . 1 . 1 69 69 LEU HD13 H 1 0.664 0.000 . . . . . . A 69 LEU HD13 . 34541 1 898 . 1 . 1 69 69 LEU HD21 H 1 0.554 0.003 . . . . . . A 69 LEU HD21 . 34541 1 899 . 1 . 1 69 69 LEU HD22 H 1 0.554 0.003 . . . . . . A 69 LEU HD22 . 34541 1 900 . 1 . 1 69 69 LEU HD23 H 1 0.554 0.003 . . . . . . A 69 LEU HD23 . 34541 1 901 . 1 . 1 69 69 LEU C C 13 177.329 0.001 . . . . . . A 69 LEU C . 34541 1 902 . 1 . 1 69 69 LEU CA C 13 57.514 0.013 . . . . . . A 69 LEU CA . 34541 1 903 . 1 . 1 69 69 LEU CB C 13 40.802 0.030 . . . . . . A 69 LEU CB . 34541 1 904 . 1 . 1 69 69 LEU CG C 13 26.408 0.000 . . . . . . A 69 LEU CG . 34541 1 905 . 1 . 1 69 69 LEU CD1 C 13 26.604 0.057 . . . . . . A 69 LEU CD1 . 34541 1 906 . 1 . 1 69 69 LEU CD2 C 13 22.674 0.031 . . . . . . A 69 LEU CD2 . 34541 1 907 . 1 . 1 69 69 LEU N N 15 124.062 0.009 . . . . . . A 69 LEU N . 34541 1 908 . 1 . 1 70 70 ILE H H 1 7.635 0.001 . . . . . . A 70 ILE H . 34541 1 909 . 1 . 1 70 70 ILE HA H 1 3.363 0.000 . . . . . . A 70 ILE HA . 34541 1 910 . 1 . 1 70 70 ILE HB H 1 1.759 0.000 . . . . . . A 70 ILE HB . 34541 1 911 . 1 . 1 70 70 ILE HG12 H 1 1.620 0.000 . . . . . . A 70 ILE HG12 . 34541 1 912 . 1 . 1 70 70 ILE HG13 H 1 1.301 0.000 . . . . . . A 70 ILE HG13 . 34541 1 913 . 1 . 1 70 70 ILE HG21 H 1 0.590 0.004 . . . . . . A 70 ILE HG21 . 34541 1 914 . 1 . 1 70 70 ILE HG22 H 1 0.590 0.004 . . . . . . A 70 ILE HG22 . 34541 1 915 . 1 . 1 70 70 ILE HG23 H 1 0.590 0.004 . . . . . . A 70 ILE HG23 . 34541 1 916 . 1 . 1 70 70 ILE HD11 H 1 0.887 0.000 . . . . . . A 70 ILE HD11 . 34541 1 917 . 1 . 1 70 70 ILE HD12 H 1 0.887 0.000 . . . . . . A 70 ILE HD12 . 34541 1 918 . 1 . 1 70 70 ILE HD13 H 1 0.887 0.000 . . . . . . A 70 ILE HD13 . 34541 1 919 . 1 . 1 70 70 ILE C C 13 177.251 0.007 . . . . . . A 70 ILE C . 34541 1 920 . 1 . 1 70 70 ILE CA C 13 64.971 0.018 . . . . . . A 70 ILE CA . 34541 1 921 . 1 . 1 70 70 ILE CB C 13 37.056 0.028 . . . . . . A 70 ILE CB . 34541 1 922 . 1 . 1 70 70 ILE CG1 C 13 28.794 0.046 . . . . . . A 70 ILE CG1 . 34541 1 923 . 1 . 1 70 70 ILE CG2 C 13 17.062 0.015 . . . . . . A 70 ILE CG2 . 34541 1 924 . 1 . 1 70 70 ILE CD1 C 13 12.514 0.035 . . . . . . A 70 ILE CD1 . 34541 1 925 . 1 . 1 70 70 ILE N N 15 117.152 0.017 . . . . . . A 70 ILE N . 34541 1 926 . 1 . 1 71 71 LYS H H 1 7.932 0.002 . . . . . . A 71 LYS H . 34541 1 927 . 1 . 1 71 71 LYS HA H 1 3.760 0.000 . . . . . . A 71 LYS HA . 34541 1 928 . 1 . 1 71 71 LYS HB2 H 1 1.807 0.000 . . . . . . A 71 LYS HB2 . 34541 1 929 . 1 . 1 71 71 LYS HB3 H 1 1.807 0.000 . . . . . . A 71 LYS HB3 . 34541 1 930 . 1 . 1 71 71 LYS HG2 H 1 1.475 0.000 . . . . . . A 71 LYS HG2 . 34541 1 931 . 1 . 1 71 71 LYS HG3 H 1 1.333 0.007 . . . . . . A 71 LYS HG3 . 34541 1 932 . 1 . 1 71 71 LYS HD2 H 1 1.631 0.000 . . . . . . A 71 LYS HD2 . 34541 1 933 . 1 . 1 71 71 LYS HD3 H 1 1.631 0.000 . . . . . . A 71 LYS HD3 . 34541 1 934 . 1 . 1 71 71 LYS HE2 H 1 2.929 0.000 . . . . . . A 71 LYS HE2 . 34541 1 935 . 1 . 1 71 71 LYS HE3 H 1 2.929 0.000 . . . . . . A 71 LYS HE3 . 34541 1 936 . 1 . 1 71 71 LYS C C 13 179.370 0.005 . . . . . . A 71 LYS C . 34541 1 937 . 1 . 1 71 71 LYS CA C 13 59.984 0.033 . . . . . . A 71 LYS CA . 34541 1 938 . 1 . 1 71 71 LYS CB C 13 32.285 0.013 . . . . . . A 71 LYS CB . 34541 1 939 . 1 . 1 71 71 LYS CG C 13 25.116 0.034 . . . . . . A 71 LYS CG . 34541 1 940 . 1 . 1 71 71 LYS CD C 13 29.439 0.004 . . . . . . A 71 LYS CD . 34541 1 941 . 1 . 1 71 71 LYS N N 15 118.190 0.012 . . . . . . A 71 LYS N . 34541 1 942 . 1 . 1 72 72 SER H H 1 7.679 0.002 . . . . . . A 72 SER H . 34541 1 943 . 1 . 1 72 72 SER HA H 1 4.198 0.000 . . . . . . A 72 SER HA . 34541 1 944 . 1 . 1 72 72 SER HB2 H 1 3.951 0.000 . . . . . . A 72 SER HB2 . 34541 1 945 . 1 . 1 72 72 SER HB3 H 1 3.951 0.000 . . . . . . A 72 SER HB3 . 34541 1 946 . 1 . 1 72 72 SER C C 13 177.657 0.000 . . . . . . A 72 SER C . 34541 1 947 . 1 . 1 72 72 SER CA C 13 61.745 0.030 . . . . . . A 72 SER CA . 34541 1 948 . 1 . 1 72 72 SER CB C 13 62.954 0.007 . . . . . . A 72 SER CB . 34541 1 949 . 1 . 1 72 72 SER N N 15 114.076 0.011 . . . . . . A 72 SER N . 34541 1 950 . 1 . 1 73 73 TRP H H 1 8.876 0.000 . . . . . . A 73 TRP H . 34541 1 951 . 1 . 1 73 73 TRP HA H 1 4.814 0.000 . . . . . . A 73 TRP HA . 34541 1 952 . 1 . 1 73 73 TRP HB2 H 1 3.541 0.000 . . . . . . A 73 TRP HB2 . 34541 1 953 . 1 . 1 73 73 TRP HB3 H 1 3.443 0.000 . . . . . . A 73 TRP HB3 . 34541 1 954 . 1 . 1 73 73 TRP HD1 H 1 7.081 0.000 . . . . . . A 73 TRP HD1 . 34541 1 955 . 1 . 1 73 73 TRP HE1 H 1 10.521 0.000 . . . . . . A 73 TRP HE1 . 34541 1 956 . 1 . 1 73 73 TRP HE3 H 1 7.385 0.000 . . . . . . A 73 TRP HE3 . 34541 1 957 . 1 . 1 73 73 TRP HZ2 H 1 7.277 0.000 . . . . . . A 73 TRP HZ2 . 34541 1 958 . 1 . 1 73 73 TRP HZ3 H 1 6.768 0.000 . . . . . . A 73 TRP HZ3 . 34541 1 959 . 1 . 1 73 73 TRP HH2 H 1 6.928 0.000 . . . . . . A 73 TRP HH2 . 34541 1 960 . 1 . 1 73 73 TRP C C 13 179.043 0.003 . . . . . . A 73 TRP C . 34541 1 961 . 1 . 1 73 73 TRP CA C 13 57.234 0.025 . . . . . . A 73 TRP CA . 34541 1 962 . 1 . 1 73 73 TRP CB C 13 29.154 0.016 . . . . . . A 73 TRP CB . 34541 1 963 . 1 . 1 73 73 TRP CD1 C 13 124.083 0.000 . . . . . . A 73 TRP CD1 . 34541 1 964 . 1 . 1 73 73 TRP CE3 C 13 119.684 0.000 . . . . . . A 73 TRP CE3 . 34541 1 965 . 1 . 1 73 73 TRP CZ2 C 13 114.685 0.000 . . . . . . A 73 TRP CZ2 . 34541 1 966 . 1 . 1 73 73 TRP CZ3 C 13 120.269 0.000 . . . . . . A 73 TRP CZ3 . 34541 1 967 . 1 . 1 73 73 TRP CH2 C 13 123.506 0.000 . . . . . . A 73 TRP CH2 . 34541 1 968 . 1 . 1 73 73 TRP N N 15 124.238 0.004 . . . . . . A 73 TRP N . 34541 1 969 . 1 . 1 73 73 TRP NE1 N 15 128.574 0.000 . . . . . . A 73 TRP NE1 . 34541 1 970 . 1 . 1 74 74 LYS H H 1 8.792 0.002 . . . . . . A 74 LYS H . 34541 1 971 . 1 . 1 74 74 LYS HA H 1 3.941 0.000 . . . . . . A 74 LYS HA . 34541 1 972 . 1 . 1 74 74 LYS HB2 H 1 1.739 0.000 . . . . . . A 74 LYS HB2 . 34541 1 973 . 1 . 1 74 74 LYS HB3 H 1 1.739 0.000 . . . . . . A 74 LYS HB3 . 34541 1 974 . 1 . 1 74 74 LYS HG2 H 1 1.098 0.002 . . . . . . A 74 LYS HG2 . 34541 1 975 . 1 . 1 74 74 LYS HG3 H 1 0.733 0.000 . . . . . . A 74 LYS HG3 . 34541 1 976 . 1 . 1 74 74 LYS HD2 H 1 1.337 0.000 . . . . . . A 74 LYS HD2 . 34541 1 977 . 1 . 1 74 74 LYS HD3 H 1 1.337 0.000 . . . . . . A 74 LYS HD3 . 34541 1 978 . 1 . 1 74 74 LYS HE2 H 1 2.326 0.000 . . . . . . A 74 LYS HE2 . 34541 1 979 . 1 . 1 74 74 LYS HE3 H 1 2.227 0.000 . . . . . . A 74 LYS HE3 . 34541 1 980 . 1 . 1 74 74 LYS C C 13 179.519 0.006 . . . . . . A 74 LYS C . 34541 1 981 . 1 . 1 74 74 LYS CA C 13 60.329 0.042 . . . . . . A 74 LYS CA . 34541 1 982 . 1 . 1 74 74 LYS CB C 13 32.390 0.040 . . . . . . A 74 LYS CB . 34541 1 983 . 1 . 1 74 74 LYS CG C 13 27.682 0.029 . . . . . . A 74 LYS CG . 34541 1 984 . 1 . 1 74 74 LYS CD C 13 29.649 0.024 . . . . . . A 74 LYS CD . 34541 1 985 . 1 . 1 74 74 LYS CE C 13 41.926 0.007 . . . . . . A 74 LYS CE . 34541 1 986 . 1 . 1 74 74 LYS N N 15 119.611 0.015 . . . . . . A 74 LYS N . 34541 1 987 . 1 . 1 75 75 LYS H H 1 7.416 0.001 . . . . . . A 75 LYS H . 34541 1 988 . 1 . 1 75 75 LYS HA H 1 4.200 0.000 . . . . . . A 75 LYS HA . 34541 1 989 . 1 . 1 75 75 LYS HB2 H 1 2.025 0.000 . . . . . . A 75 LYS HB2 . 34541 1 990 . 1 . 1 75 75 LYS HB3 H 1 2.025 0.000 . . . . . . A 75 LYS HB3 . 34541 1 991 . 1 . 1 75 75 LYS HG2 H 1 1.799 0.000 . . . . . . A 75 LYS HG2 . 34541 1 992 . 1 . 1 75 75 LYS HG3 H 1 1.583 0.000 . . . . . . A 75 LYS HG3 . 34541 1 993 . 1 . 1 75 75 LYS HD2 H 1 1.799 0.000 . . . . . . A 75 LYS HD2 . 34541 1 994 . 1 . 1 75 75 LYS HD3 H 1 1.799 0.000 . . . . . . A 75 LYS HD3 . 34541 1 995 . 1 . 1 75 75 LYS HE2 H 1 3.044 0.000 . . . . . . A 75 LYS HE2 . 34541 1 996 . 1 . 1 75 75 LYS HE3 H 1 3.044 0.000 . . . . . . A 75 LYS HE3 . 34541 1 997 . 1 . 1 75 75 LYS C C 13 178.575 0.005 . . . . . . A 75 LYS C . 34541 1 998 . 1 . 1 75 75 LYS CA C 13 58.526 0.035 . . . . . . A 75 LYS CA . 34541 1 999 . 1 . 1 75 75 LYS CB C 13 32.034 0.049 . . . . . . A 75 LYS CB . 34541 1 1000 . 1 . 1 75 75 LYS CG C 13 25.185 0.049 . . . . . . A 75 LYS CG . 34541 1 1001 . 1 . 1 75 75 LYS CD C 13 29.219 0.056 . . . . . . A 75 LYS CD . 34541 1 1002 . 1 . 1 75 75 LYS CE C 13 42.160 0.000 . . . . . . A 75 LYS CE . 34541 1 1003 . 1 . 1 75 75 LYS N N 15 117.835 0.012 . . . . . . A 75 LYS N . 34541 1 1004 . 1 . 1 76 76 LEU H H 1 7.798 0.001 . . . . . . A 76 LEU H . 34541 1 1005 . 1 . 1 76 76 LEU HA H 1 4.223 0.000 . . . . . . A 76 LEU HA . 34541 1 1006 . 1 . 1 76 76 LEU HB2 H 1 2.136 0.000 . . . . . . A 76 LEU HB2 . 34541 1 1007 . 1 . 1 76 76 LEU HB3 H 1 1.396 0.000 . . . . . . A 76 LEU HB3 . 34541 1 1008 . 1 . 1 76 76 LEU HG H 1 1.947 0.000 . . . . . . A 76 LEU HG . 34541 1 1009 . 1 . 1 76 76 LEU HD11 H 1 0.981 0.000 . . . . . . A 76 LEU HD11 . 34541 1 1010 . 1 . 1 76 76 LEU HD12 H 1 0.981 0.000 . . . . . . A 76 LEU HD12 . 34541 1 1011 . 1 . 1 76 76 LEU HD13 H 1 0.981 0.000 . . . . . . A 76 LEU HD13 . 34541 1 1012 . 1 . 1 76 76 LEU HD21 H 1 0.755 0.000 . . . . . . A 76 LEU HD21 . 34541 1 1013 . 1 . 1 76 76 LEU HD22 H 1 0.755 0.000 . . . . . . A 76 LEU HD22 . 34541 1 1014 . 1 . 1 76 76 LEU HD23 H 1 0.755 0.000 . . . . . . A 76 LEU HD23 . 34541 1 1015 . 1 . 1 76 76 LEU C C 13 178.108 0.003 . . . . . . A 76 LEU C . 34541 1 1016 . 1 . 1 76 76 LEU CA C 13 56.178 0.001 . . . . . . A 76 LEU CA . 34541 1 1017 . 1 . 1 76 76 LEU CB C 13 41.329 0.003 . . . . . . A 76 LEU CB . 34541 1 1018 . 1 . 1 76 76 LEU CG C 13 27.074 0.023 . . . . . . A 76 LEU CG . 34541 1 1019 . 1 . 1 76 76 LEU CD1 C 13 22.393 0.045 . . . . . . A 76 LEU CD1 . 34541 1 1020 . 1 . 1 76 76 LEU CD2 C 13 25.504 0.000 . . . . . . A 76 LEU CD2 . 34541 1 1021 . 1 . 1 76 76 LEU N N 15 117.328 0.018 . . . . . . A 76 LEU N . 34541 1 1022 . 1 . 1 77 77 LEU H H 1 7.381 0.002 . . . . . . A 77 LEU H . 34541 1 1023 . 1 . 1 77 77 LEU HA H 1 4.244 0.000 . . . . . . A 77 LEU HA . 34541 1 1024 . 1 . 1 77 77 LEU HB2 H 1 1.840 0.000 . . . . . . A 77 LEU HB2 . 34541 1 1025 . 1 . 1 77 77 LEU HB3 H 1 1.840 0.000 . . . . . . A 77 LEU HB3 . 34541 1 1026 . 1 . 1 77 77 LEU HG H 1 1.818 0.000 . . . . . . A 77 LEU HG . 34541 1 1027 . 1 . 1 77 77 LEU HD11 H 1 1.087 0.000 . . . . . . A 77 LEU HD11 . 34541 1 1028 . 1 . 1 77 77 LEU HD12 H 1 1.087 0.000 . . . . . . A 77 LEU HD12 . 34541 1 1029 . 1 . 1 77 77 LEU HD13 H 1 1.087 0.000 . . . . . . A 77 LEU HD13 . 34541 1 1030 . 1 . 1 77 77 LEU HD21 H 1 0.989 0.000 . . . . . . A 77 LEU HD21 . 34541 1 1031 . 1 . 1 77 77 LEU HD22 H 1 0.989 0.000 . . . . . . A 77 LEU HD22 . 34541 1 1032 . 1 . 1 77 77 LEU HD23 H 1 0.989 0.000 . . . . . . A 77 LEU HD23 . 34541 1 1033 . 1 . 1 77 77 LEU C C 13 177.222 0.002 . . . . . . A 77 LEU C . 34541 1 1034 . 1 . 1 77 77 LEU CA C 13 56.377 0.021 . . . . . . A 77 LEU CA . 34541 1 1035 . 1 . 1 77 77 LEU CB C 13 41.566 0.033 . . . . . . A 77 LEU CB . 34541 1 1036 . 1 . 1 77 77 LEU CG C 13 28.450 0.043 . . . . . . A 77 LEU CG . 34541 1 1037 . 1 . 1 77 77 LEU CD1 C 13 25.534 0.076 . . . . . . A 77 LEU CD1 . 34541 1 1038 . 1 . 1 77 77 LEU CD2 C 13 24.698 0.001 . . . . . . A 77 LEU CD2 . 34541 1 1039 . 1 . 1 77 77 LEU N N 15 117.763 0.011 . . . . . . A 77 LEU N . 34541 1 1040 . 1 . 1 78 78 ASP H H 1 7.903 0.001 . . . . . . A 78 ASP H . 34541 1 1041 . 1 . 1 78 78 ASP HA H 1 4.620 0.000 . . . . . . A 78 ASP HA . 34541 1 1042 . 1 . 1 78 78 ASP HB2 H 1 2.747 0.000 . . . . . . A 78 ASP HB2 . 34541 1 1043 . 1 . 1 78 78 ASP HB3 H 1 2.777 0.000 . . . . . . A 78 ASP HB3 . 34541 1 1044 . 1 . 1 78 78 ASP C C 13 177.149 0.007 . . . . . . A 78 ASP C . 34541 1 1045 . 1 . 1 78 78 ASP CA C 13 54.960 0.011 . . . . . . A 78 ASP CA . 34541 1 1046 . 1 . 1 78 78 ASP CB C 13 41.356 0.026 . . . . . . A 78 ASP CB . 34541 1 1047 . 1 . 1 78 78 ASP N N 15 119.632 0.010 . . . . . . A 78 ASP N . 34541 1 1048 . 1 . 1 79 79 GLY H H 1 8.301 0.001 . . . . . . A 79 GLY H . 34541 1 1049 . 1 . 1 79 79 GLY HA2 H 1 4.053 0.000 . . . . . . A 79 GLY HA2 . 34541 1 1050 . 1 . 1 79 79 GLY HA3 H 1 3.988 0.000 . . . . . . A 79 GLY HA3 . 34541 1 1051 . 1 . 1 79 79 GLY C C 13 175.152 0.002 . . . . . . A 79 GLY C . 34541 1 1052 . 1 . 1 79 79 GLY CA C 13 45.738 0.026 . . . . . . A 79 GLY CA . 34541 1 1053 . 1 . 1 79 79 GLY N N 15 109.139 0.008 . . . . . . A 79 GLY N . 34541 1 1054 . 1 . 1 80 80 GLY H H 1 8.346 0.001 . . . . . . A 80 GLY H . 34541 1 1055 . 1 . 1 80 80 GLY HA2 H 1 4.068 0.000 . . . . . . A 80 GLY HA2 . 34541 1 1056 . 1 . 1 80 80 GLY HA3 H 1 4.068 0.000 . . . . . . A 80 GLY HA3 . 34541 1 1057 . 1 . 1 80 80 GLY C C 13 174.670 0.000 . . . . . . A 80 GLY C . 34541 1 1058 . 1 . 1 80 80 GLY CA C 13 45.493 0.013 . . . . . . A 80 GLY CA . 34541 1 1059 . 1 . 1 80 80 GLY N N 15 108.800 0.003 . . . . . . A 80 GLY N . 34541 1 1060 . 1 . 1 91 91 GLY HA2 H 1 3.986 0.000 . . . . . . A 91 GLY HA2 . 34541 1 1061 . 1 . 1 91 91 GLY HA3 H 1 3.986 0.000 . . . . . . A 91 GLY HA3 . 34541 1 1062 . 1 . 1 91 91 GLY C C 13 174.308 0.010 . . . . . . A 91 GLY C . 34541 1 1063 . 1 . 1 91 91 GLY CA C 13 45.471 0.008 . . . . . . A 91 GLY CA . 34541 1 1064 . 1 . 1 92 92 GLU H H 1 8.291 0.001 . . . . . . A 92 GLU H . 34541 1 1065 . 1 . 1 92 92 GLU HA H 1 4.297 0.000 . . . . . . A 92 GLU HA . 34541 1 1066 . 1 . 1 92 92 GLU HB2 H 1 2.073 0.000 . . . . . . A 92 GLU HB2 . 34541 1 1067 . 1 . 1 92 92 GLU HB3 H 1 1.948 0.000 . . . . . . A 92 GLU HB3 . 34541 1 1068 . 1 . 1 92 92 GLU HG2 H 1 2.276 0.000 . . . . . . A 92 GLU HG2 . 34541 1 1069 . 1 . 1 92 92 GLU HG3 H 1 2.276 0.000 . . . . . . A 92 GLU HG3 . 34541 1 1070 . 1 . 1 92 92 GLU C C 13 176.933 0.002 . . . . . . A 92 GLU C . 34541 1 1071 . 1 . 1 92 92 GLU CA C 13 56.795 0.037 . . . . . . A 92 GLU CA . 34541 1 1072 . 1 . 1 92 92 GLU CB C 13 30.246 0.013 . . . . . . A 92 GLU CB . 34541 1 1073 . 1 . 1 92 92 GLU CG C 13 36.293 0.061 . . . . . . A 92 GLU CG . 34541 1 1074 . 1 . 1 92 92 GLU N N 15 120.736 0.009 . . . . . . A 92 GLU N . 34541 1 1075 . 1 . 1 93 93 LEU H H 1 8.359 0.001 . . . . . . A 93 LEU H . 34541 1 1076 . 1 . 1 93 93 LEU HA H 1 4.373 0.008 . . . . . . A 93 LEU HA . 34541 1 1077 . 1 . 1 93 93 LEU HB2 H 1 1.671 0.030 . . . . . . A 93 LEU HB2 . 34541 1 1078 . 1 . 1 93 93 LEU HB3 H 1 1.669 0.044 . . . . . . A 93 LEU HB3 . 34541 1 1079 . 1 . 1 93 93 LEU HG H 1 1.668 0.000 . . . . . . A 93 LEU HG . 34541 1 1080 . 1 . 1 93 93 LEU HD11 H 1 0.950 0.000 . . . . . . A 93 LEU HD11 . 34541 1 1081 . 1 . 1 93 93 LEU HD12 H 1 0.950 0.000 . . . . . . A 93 LEU HD12 . 34541 1 1082 . 1 . 1 93 93 LEU HD13 H 1 0.950 0.000 . . . . . . A 93 LEU HD13 . 34541 1 1083 . 1 . 1 93 93 LEU HD21 H 1 0.894 0.000 . . . . . . A 93 LEU HD21 . 34541 1 1084 . 1 . 1 93 93 LEU HD22 H 1 0.894 0.000 . . . . . . A 93 LEU HD22 . 34541 1 1085 . 1 . 1 93 93 LEU HD23 H 1 0.894 0.000 . . . . . . A 93 LEU HD23 . 34541 1 1086 . 1 . 1 93 93 LEU C C 13 177.733 0.005 . . . . . . A 93 LEU C . 34541 1 1087 . 1 . 1 93 93 LEU CA C 13 55.556 0.045 . . . . . . A 93 LEU CA . 34541 1 1088 . 1 . 1 93 93 LEU CB C 13 42.050 0.029 . . . . . . A 93 LEU CB . 34541 1 1089 . 1 . 1 93 93 LEU CG C 13 26.999 0.055 . . . . . . A 93 LEU CG . 34541 1 1090 . 1 . 1 93 93 LEU CD1 C 13 25.029 0.071 . . . . . . A 93 LEU CD1 . 34541 1 1091 . 1 . 1 93 93 LEU CD2 C 13 23.532 0.029 . . . . . . A 93 LEU CD2 . 34541 1 1092 . 1 . 1 93 93 LEU N N 15 122.781 0.006 . . . . . . A 93 LEU N . 34541 1 1093 . 1 . 1 94 94 SER H H 1 8.239 0.002 . . . . . . A 94 SER H . 34541 1 1094 . 1 . 1 94 94 SER HA H 1 4.392 0.000 . . . . . . A 94 SER HA . 34541 1 1095 . 1 . 1 94 94 SER HB2 H 1 3.855 0.000 . . . . . . A 94 SER HB2 . 34541 1 1096 . 1 . 1 94 94 SER HB3 H 1 3.917 0.000 . . . . . . A 94 SER HB3 . 34541 1 1097 . 1 . 1 94 94 SER C C 13 174.651 0.000 . . . . . . A 94 SER C . 34541 1 1098 . 1 . 1 94 94 SER CA C 13 58.831 0.008 . . . . . . A 94 SER CA . 34541 1 1099 . 1 . 1 94 94 SER CB C 13 63.832 0.010 . . . . . . A 94 SER CB . 34541 1 1100 . 1 . 1 94 94 SER N N 15 116.022 0.015 . . . . . . A 94 SER N . 34541 1 1101 . 1 . 1 95 95 ASP H H 1 8.319 0.001 . . . . . . A 95 ASP H . 34541 1 1102 . 1 . 1 95 95 ASP HA H 1 4.625 0.000 . . . . . . A 95 ASP HA . 34541 1 1103 . 1 . 1 95 95 ASP HB2 H 1 2.751 0.000 . . . . . . A 95 ASP HB2 . 34541 1 1104 . 1 . 1 95 95 ASP HB3 H 1 2.692 0.000 . . . . . . A 95 ASP HB3 . 34541 1 1105 . 1 . 1 95 95 ASP C C 13 176.770 0.006 . . . . . . A 95 ASP C . 34541 1 1106 . 1 . 1 95 95 ASP CA C 13 54.777 0.022 . . . . . . A 95 ASP CA . 34541 1 1107 . 1 . 1 95 95 ASP CB C 13 41.053 0.016 . . . . . . A 95 ASP CB . 34541 1 1108 . 1 . 1 95 95 ASP N N 15 122.413 0.008 . . . . . . A 95 ASP N . 34541 1 1109 . 1 . 1 96 96 LYS H H 1 8.208 0.001 . . . . . . A 96 LYS H . 34541 1 1110 . 1 . 1 96 96 LYS HA H 1 4.316 0.000 . . . . . . A 96 LYS HA . 34541 1 1111 . 1 . 1 96 96 LYS HB2 H 1 1.812 0.000 . . . . . . A 96 LYS HB2 . 34541 1 1112 . 1 . 1 96 96 LYS HB3 H 1 1.897 0.000 . . . . . . A 96 LYS HB3 . 34541 1 1113 . 1 . 1 96 96 LYS HG2 H 1 1.449 0.000 . . . . . . A 96 LYS HG2 . 34541 1 1114 . 1 . 1 96 96 LYS HG3 H 1 1.499 0.000 . . . . . . A 96 LYS HG3 . 34541 1 1115 . 1 . 1 96 96 LYS HD2 H 1 1.701 0.000 . . . . . . A 96 LYS HD2 . 34541 1 1116 . 1 . 1 96 96 LYS HD3 H 1 1.701 0.000 . . . . . . A 96 LYS HD3 . 34541 1 1117 . 1 . 1 96 96 LYS HE2 H 1 2.963 0.000 . . . . . . A 96 LYS HE2 . 34541 1 1118 . 1 . 1 96 96 LYS HE3 H 1 2.963 0.000 . . . . . . A 96 LYS HE3 . 34541 1 1119 . 1 . 1 96 96 LYS C C 13 177.372 0.009 . . . . . . A 96 LYS C . 34541 1 1120 . 1 . 1 96 96 LYS CA C 13 57.060 0.007 . . . . . . A 96 LYS CA . 34541 1 1121 . 1 . 1 96 96 LYS CB C 13 32.447 0.039 . . . . . . A 96 LYS CB . 34541 1 1122 . 1 . 1 96 96 LYS CG C 13 24.716 0.060 . . . . . . A 96 LYS CG . 34541 1 1123 . 1 . 1 96 96 LYS CD C 13 28.998 0.000 . . . . . . A 96 LYS CD . 34541 1 1124 . 1 . 1 96 96 LYS CE C 13 41.988 0.000 . . . . . . A 96 LYS CE . 34541 1 1125 . 1 . 1 96 96 LYS N N 15 121.787 0.003 . . . . . . A 96 LYS N . 34541 1 1126 . 1 . 1 97 97 LYS H H 1 8.296 0.002 . . . . . . A 97 LYS H . 34541 1 1127 . 1 . 1 97 97 LYS HA H 1 4.229 0.000 . . . . . . A 97 LYS HA . 34541 1 1128 . 1 . 1 97 97 LYS HB2 H 1 1.845 0.000 . . . . . . A 97 LYS HB2 . 34541 1 1129 . 1 . 1 97 97 LYS HB3 H 1 1.845 0.000 . . . . . . A 97 LYS HB3 . 34541 1 1130 . 1 . 1 97 97 LYS HG2 H 1 1.499 0.000 . . . . . . A 97 LYS HG2 . 34541 1 1131 . 1 . 1 97 97 LYS HG3 H 1 1.441 0.006 . . . . . . A 97 LYS HG3 . 34541 1 1132 . 1 . 1 97 97 LYS HE2 H 1 2.996 0.000 . . . . . . A 97 LYS HE2 . 34541 1 1133 . 1 . 1 97 97 LYS HE3 H 1 2.996 0.000 . . . . . . A 97 LYS HE3 . 34541 1 1134 . 1 . 1 97 97 LYS C C 13 177.678 0.001 . . . . . . A 97 LYS C . 34541 1 1135 . 1 . 1 97 97 LYS CA C 13 57.483 0.031 . . . . . . A 97 LYS CA . 34541 1 1136 . 1 . 1 97 97 LYS CB C 13 32.358 0.028 . . . . . . A 97 LYS CB . 34541 1 1137 . 1 . 1 97 97 LYS CG C 13 24.777 0.039 . . . . . . A 97 LYS CG . 34541 1 1138 . 1 . 1 97 97 LYS CD C 13 28.171 0.000 . . . . . . A 97 LYS CD . 34541 1 1139 . 1 . 1 97 97 LYS N N 15 121.129 0.012 . . . . . . A 97 LYS N . 34541 1 1140 . 1 . 1 98 98 ASN H H 1 8.405 0.002 . . . . . . A 98 ASN H . 34541 1 1141 . 1 . 1 98 98 ASN HA H 1 4.639 0.000 . . . . . . A 98 ASN HA . 34541 1 1142 . 1 . 1 98 98 ASN HB2 H 1 2.798 0.000 . . . . . . A 98 ASN HB2 . 34541 1 1143 . 1 . 1 98 98 ASN HB3 H 1 2.855 0.000 . . . . . . A 98 ASN HB3 . 34541 1 1144 . 1 . 1 98 98 ASN HD21 H 1 7.753 0.000 . . . . . . A 98 ASN HD21 . 34541 1 1145 . 1 . 1 98 98 ASN HD22 H 1 6.967 0.000 . . . . . . A 98 ASN HD22 . 34541 1 1146 . 1 . 1 98 98 ASN C C 13 176.050 0.003 . . . . . . A 98 ASN C . 34541 1 1147 . 1 . 1 98 98 ASN CA C 13 54.525 0.012 . . . . . . A 98 ASN CA . 34541 1 1148 . 1 . 1 98 98 ASN CB C 13 38.646 0.014 . . . . . . A 98 ASN CB . 34541 1 1149 . 1 . 1 98 98 ASN N N 15 119.476 0.054 . . . . . . A 98 ASN N . 34541 1 1150 . 1 . 1 98 98 ASN ND2 N 15 113.400 0.000 . . . . . . A 98 ASN ND2 . 34541 1 1151 . 1 . 1 99 99 GLU H H 1 8.421 0.001 . . . . . . A 99 GLU H . 34541 1 1152 . 1 . 1 99 99 GLU HA H 1 4.253 0.000 . . . . . . A 99 GLU HA . 34541 1 1153 . 1 . 1 99 99 GLU HB2 H 1 2.069 0.000 . . . . . . A 99 GLU HB2 . 34541 1 1154 . 1 . 1 99 99 GLU HB3 H 1 2.145 0.000 . . . . . . A 99 GLU HB3 . 34541 1 1155 . 1 . 1 99 99 GLU HG2 H 1 2.287 0.000 . . . . . . A 99 GLU HG2 . 34541 1 1156 . 1 . 1 99 99 GLU HG3 H 1 2.342 0.000 . . . . . . A 99 GLU HG3 . 34541 1 1157 . 1 . 1 99 99 GLU C C 13 177.845 0.006 . . . . . . A 99 GLU C . 34541 1 1158 . 1 . 1 99 99 GLU CA C 13 58.397 0.011 . . . . . . A 99 GLU CA . 34541 1 1159 . 1 . 1 99 99 GLU CB C 13 30.189 0.000 . . . . . . A 99 GLU CB . 34541 1 1160 . 1 . 1 99 99 GLU CG C 13 36.698 0.058 . . . . . . A 99 GLU CG . 34541 1 1161 . 1 . 1 99 99 GLU N N 15 121.620 0.006 . . . . . . A 99 GLU N . 34541 1 1162 . 1 . 1 100 100 GLU H H 1 8.507 0.001 . . . . . . A 100 GLU H . 34541 1 1163 . 1 . 1 100 100 GLU HA H 1 4.035 0.005 . . . . . . A 100 GLU HA . 34541 1 1164 . 1 . 1 100 100 GLU HB2 H 1 2.172 0.000 . . . . . . A 100 GLU HB2 . 34541 1 1165 . 1 . 1 100 100 GLU HB3 H 1 2.172 0.000 . . . . . . A 100 GLU HB3 . 34541 1 1166 . 1 . 1 100 100 GLU HG2 H 1 2.343 0.000 . . . . . . A 100 GLU HG2 . 34541 1 1167 . 1 . 1 100 100 GLU HG3 H 1 2.259 0.000 . . . . . . A 100 GLU HG3 . 34541 1 1168 . 1 . 1 100 100 GLU C C 13 178.280 0.007 . . . . . . A 100 GLU C . 34541 1 1169 . 1 . 1 100 100 GLU CA C 13 59.906 0.026 . . . . . . A 100 GLU CA . 34541 1 1170 . 1 . 1 100 100 GLU CB C 13 29.920 0.029 . . . . . . A 100 GLU CB . 34541 1 1171 . 1 . 1 100 100 GLU CG C 13 37.120 0.084 . . . . . . A 100 GLU CG . 34541 1 1172 . 1 . 1 100 100 GLU N N 15 120.075 0.020 . . . . . . A 100 GLU N . 34541 1 1173 . 1 . 1 101 101 LYS H H 1 8.172 0.001 . . . . . . A 101 LYS H . 34541 1 1174 . 1 . 1 101 101 LYS HA H 1 4.102 0.000 . . . . . . A 101 LYS HA . 34541 1 1175 . 1 . 1 101 101 LYS HB2 H 1 1.851 0.000 . . . . . . A 101 LYS HB2 . 34541 1 1176 . 1 . 1 101 101 LYS HB3 H 1 1.851 0.000 . . . . . . A 101 LYS HB3 . 34541 1 1177 . 1 . 1 101 101 LYS HG2 H 1 1.427 0.011 . . . . . . A 101 LYS HG2 . 34541 1 1178 . 1 . 1 101 101 LYS HG3 H 1 1.427 0.011 . . . . . . A 101 LYS HG3 . 34541 1 1179 . 1 . 1 101 101 LYS HD2 H 1 1.788 0.010 . . . . . . A 101 LYS HD2 . 34541 1 1180 . 1 . 1 101 101 LYS HD3 H 1 1.811 0.000 . . . . . . A 101 LYS HD3 . 34541 1 1181 . 1 . 1 101 101 LYS HE2 H 1 3.050 0.000 . . . . . . A 101 LYS HE2 . 34541 1 1182 . 1 . 1 101 101 LYS HE3 H 1 3.050 0.000 . . . . . . A 101 LYS HE3 . 34541 1 1183 . 1 . 1 101 101 LYS C C 13 178.733 0.008 . . . . . . A 101 LYS C . 34541 1 1184 . 1 . 1 101 101 LYS CA C 13 58.667 0.094 . . . . . . A 101 LYS CA . 34541 1 1185 . 1 . 1 101 101 LYS CB C 13 32.140 0.023 . . . . . . A 101 LYS CB . 34541 1 1186 . 1 . 1 101 101 LYS CG C 13 25.019 0.100 . . . . . . A 101 LYS CG . 34541 1 1187 . 1 . 1 101 101 LYS CD C 13 29.277 0.058 . . . . . . A 101 LYS CD . 34541 1 1188 . 1 . 1 101 101 LYS N N 15 119.594 0.009 . . . . . . A 101 LYS N . 34541 1 1189 . 1 . 1 102 102 ASP H H 1 7.977 0.001 . . . . . . A 102 ASP H . 34541 1 1190 . 1 . 1 102 102 ASP HA H 1 4.465 0.000 . . . . . . A 102 ASP HA . 34541 1 1191 . 1 . 1 102 102 ASP HB2 H 1 2.746 0.000 . . . . . . A 102 ASP HB2 . 34541 1 1192 . 1 . 1 102 102 ASP HB3 H 1 2.671 0.000 . . . . . . A 102 ASP HB3 . 34541 1 1193 . 1 . 1 102 102 ASP C C 13 176.783 0.006 . . . . . . A 102 ASP C . 34541 1 1194 . 1 . 1 102 102 ASP CA C 13 56.368 0.015 . . . . . . A 102 ASP CA . 34541 1 1195 . 1 . 1 102 102 ASP CB C 13 41.014 0.031 . . . . . . A 102 ASP CB . 34541 1 1196 . 1 . 1 102 102 ASP N N 15 119.970 0.010 . . . . . . A 102 ASP N . 34541 1 1197 . 1 . 1 103 103 LEU H H 1 7.763 0.001 . . . . . . A 103 LEU H . 34541 1 1198 . 1 . 1 103 103 LEU HA H 1 4.120 0.008 . . . . . . A 103 LEU HA . 34541 1 1199 . 1 . 1 103 103 LEU HB2 H 1 1.492 0.002 . . . . . . A 103 LEU HB2 . 34541 1 1200 . 1 . 1 103 103 LEU HB3 H 1 0.726 0.007 . . . . . . A 103 LEU HB3 . 34541 1 1201 . 1 . 1 103 103 LEU HG H 1 1.665 0.000 . . . . . . A 103 LEU HG . 34541 1 1202 . 1 . 1 103 103 LEU HD11 H 1 0.802 0.000 . . . . . . A 103 LEU HD11 . 34541 1 1203 . 1 . 1 103 103 LEU HD12 H 1 0.802 0.000 . . . . . . A 103 LEU HD12 . 34541 1 1204 . 1 . 1 103 103 LEU HD13 H 1 0.802 0.000 . . . . . . A 103 LEU HD13 . 34541 1 1205 . 1 . 1 103 103 LEU HD21 H 1 0.689 0.000 . . . . . . A 103 LEU HD21 . 34541 1 1206 . 1 . 1 103 103 LEU HD22 H 1 0.689 0.000 . . . . . . A 103 LEU HD22 . 34541 1 1207 . 1 . 1 103 103 LEU HD23 H 1 0.689 0.000 . . . . . . A 103 LEU HD23 . 34541 1 1208 . 1 . 1 103 103 LEU C C 13 177.406 0.004 . . . . . . A 103 LEU C . 34541 1 1209 . 1 . 1 103 103 LEU CA C 13 56.027 0.035 . . . . . . A 103 LEU CA . 34541 1 1210 . 1 . 1 103 103 LEU CB C 13 43.392 0.047 . . . . . . A 103 LEU CB . 34541 1 1211 . 1 . 1 103 103 LEU CG C 13 27.055 0.000 . . . . . . A 103 LEU CG . 34541 1 1212 . 1 . 1 103 103 LEU CD1 C 13 25.838 0.066 . . . . . . A 103 LEU CD1 . 34541 1 1213 . 1 . 1 103 103 LEU CD2 C 13 23.511 0.014 . . . . . . A 103 LEU CD2 . 34541 1 1214 . 1 . 1 103 103 LEU N N 15 116.370 0.009 . . . . . . A 103 LEU N . 34541 1 1215 . 1 . 1 104 104 PHE H H 1 8.271 0.004 . . . . . . A 104 PHE H . 34541 1 1216 . 1 . 1 104 104 PHE HA H 1 4.455 0.006 . . . . . . A 104 PHE HA . 34541 1 1217 . 1 . 1 104 104 PHE HB2 H 1 2.982 0.006 . . . . . . A 104 PHE HB2 . 34541 1 1218 . 1 . 1 104 104 PHE HB3 H 1 3.172 0.008 . . . . . . A 104 PHE HB3 . 34541 1 1219 . 1 . 1 104 104 PHE HD1 H 1 7.464 0.000 . . . . . . A 104 PHE HD1 . 34541 1 1220 . 1 . 1 104 104 PHE HD2 H 1 7.464 0.000 . . . . . . A 104 PHE HD2 . 34541 1 1221 . 1 . 1 104 104 PHE HE1 H 1 7.404 0.000 . . . . . . A 104 PHE HE1 . 34541 1 1222 . 1 . 1 104 104 PHE HE2 H 1 7.404 0.000 . . . . . . A 104 PHE HE2 . 34541 1 1223 . 1 . 1 104 104 PHE HZ H 1 7.141 0.000 . . . . . . A 104 PHE HZ . 34541 1 1224 . 1 . 1 104 104 PHE C C 13 175.963 0.004 . . . . . . A 104 PHE C . 34541 1 1225 . 1 . 1 104 104 PHE CA C 13 58.257 0.039 . . . . . . A 104 PHE CA . 34541 1 1226 . 1 . 1 104 104 PHE CB C 13 40.919 0.033 . . . . . . A 104 PHE CB . 34541 1 1227 . 1 . 1 104 104 PHE CD1 C 13 132.667 0.000 . . . . . . A 104 PHE CD1 . 34541 1 1228 . 1 . 1 104 104 PHE CE1 C 13 130.799 0.000 . . . . . . A 104 PHE CE1 . 34541 1 1229 . 1 . 1 104 104 PHE CZ C 13 129.302 0.000 . . . . . . A 104 PHE CZ . 34541 1 1230 . 1 . 1 104 104 PHE N N 15 112.717 0.032 . . . . . . A 104 PHE N . 34541 1 1231 . 1 . 1 105 105 GLY H H 1 7.950 0.001 . . . . . . A 105 GLY H . 34541 1 1232 . 1 . 1 105 105 GLY HA2 H 1 4.428 0.000 . . . . . . A 105 GLY HA2 . 34541 1 1233 . 1 . 1 105 105 GLY HA3 H 1 3.942 0.000 . . . . . . A 105 GLY HA3 . 34541 1 1234 . 1 . 1 105 105 GLY C C 13 173.440 0.002 . . . . . . A 105 GLY C . 34541 1 1235 . 1 . 1 105 105 GLY CA C 13 44.858 0.032 . . . . . . A 105 GLY CA . 34541 1 1236 . 1 . 1 105 105 GLY N N 15 108.721 0.018 . . . . . . A 105 GLY N . 34541 1 1237 . 1 . 1 106 106 SER H H 1 8.367 0.003 . . . . . . A 106 SER H . 34541 1 1238 . 1 . 1 106 106 SER HA H 1 4.368 0.194 . . . . . . A 106 SER HA . 34541 1 1239 . 1 . 1 106 106 SER HB2 H 1 3.978 0.116 . . . . . . A 106 SER HB2 . 34541 1 1240 . 1 . 1 106 106 SER HB3 H 1 3.956 0.000 . . . . . . A 106 SER HB3 . 34541 1 1241 . 1 . 1 106 106 SER CA C 13 61.397 2.719 . . . . . . A 106 SER CA . 34541 1 1242 . 1 . 1 106 106 SER CB C 13 64.101 0.110 . . . . . . A 106 SER CB . 34541 1 1243 . 1 . 1 106 106 SER N N 15 114.143 0.013 . . . . . . A 106 SER N . 34541 1 1244 . 1 . 1 110 110 SER HA H 1 4.441 0.000 . . . . . . A 110 SER HA . 34541 1 1245 . 1 . 1 110 110 SER HB2 H 1 3.878 0.000 . . . . . . A 110 SER HB2 . 34541 1 1246 . 1 . 1 110 110 SER HB3 H 1 3.878 0.000 . . . . . . A 110 SER HB3 . 34541 1 1247 . 1 . 1 110 110 SER C C 13 175.065 0.000 . . . . . . A 110 SER C . 34541 1 1248 . 1 . 1 110 110 SER CA C 13 58.735 0.000 . . . . . . A 110 SER CA . 34541 1 1249 . 1 . 1 110 110 SER CB C 13 64.022 0.012 . . . . . . A 110 SER CB . 34541 1 1250 . 1 . 1 111 111 GLY H H 1 8.458 0.004 . . . . . . A 111 GLY H . 34541 1 1251 . 1 . 1 111 111 GLY HA2 H 1 3.988 0.000 . . . . . . A 111 GLY HA2 . 34541 1 1252 . 1 . 1 111 111 GLY HA3 H 1 3.988 0.000 . . . . . . A 111 GLY HA3 . 34541 1 1253 . 1 . 1 111 111 GLY C C 13 173.950 0.007 . . . . . . A 111 GLY C . 34541 1 1254 . 1 . 1 111 111 GLY CA C 13 45.439 0.004 . . . . . . A 111 GLY CA . 34541 1 1255 . 1 . 1 111 111 GLY N N 15 110.916 0.025 . . . . . . A 111 GLY N . 34541 1 1256 . 1 . 1 112 112 ASN H H 1 8.315 0.002 . . . . . . A 112 ASN H . 34541 1 1257 . 1 . 1 112 112 ASN HA H 1 4.745 0.000 . . . . . . A 112 ASN HA . 34541 1 1258 . 1 . 1 112 112 ASN HB2 H 1 2.830 0.000 . . . . . . A 112 ASN HB2 . 34541 1 1259 . 1 . 1 112 112 ASN HB3 H 1 2.724 0.000 . . . . . . A 112 ASN HB3 . 34541 1 1260 . 1 . 1 112 112 ASN C C 13 175.410 0.005 . . . . . . A 112 ASN C . 34541 1 1261 . 1 . 1 112 112 ASN CA C 13 53.218 0.026 . . . . . . A 112 ASN CA . 34541 1 1262 . 1 . 1 112 112 ASN CB C 13 39.049 0.023 . . . . . . A 112 ASN CB . 34541 1 1263 . 1 . 1 112 112 ASN N N 15 118.734 0.020 . . . . . . A 112 ASN N . 34541 1 1264 . 1 . 1 113 113 GLU H H 1 8.588 0.001 . . . . . . A 113 GLU H . 34541 1 1265 . 1 . 1 113 113 GLU HA H 1 4.258 0.007 . . . . . . A 113 GLU HA . 34541 1 1266 . 1 . 1 113 113 GLU HB2 H 1 2.067 0.000 . . . . . . A 113 GLU HB2 . 34541 1 1267 . 1 . 1 113 113 GLU HB3 H 1 1.932 0.000 . . . . . . A 113 GLU HB3 . 34541 1 1268 . 1 . 1 113 113 GLU HG2 H 1 2.278 0.000 . . . . . . A 113 GLU HG2 . 34541 1 1269 . 1 . 1 113 113 GLU HG3 H 1 2.278 0.000 . . . . . . A 113 GLU HG3 . 34541 1 1270 . 1 . 1 113 113 GLU C C 13 176.570 0.006 . . . . . . A 113 GLU C . 34541 1 1271 . 1 . 1 113 113 GLU CA C 13 57.091 0.010 . . . . . . A 113 GLU CA . 34541 1 1272 . 1 . 1 113 113 GLU CB C 13 29.962 0.020 . . . . . . A 113 GLU CB . 34541 1 1273 . 1 . 1 113 113 GLU CG C 13 36.385 0.023 . . . . . . A 113 GLU CG . 34541 1 1274 . 1 . 1 113 113 GLU N N 15 121.404 0.005 . . . . . . A 113 GLU N . 34541 1 1275 . 1 . 1 114 114 GLU H H 1 8.387 0.001 . . . . . . A 114 GLU H . 34541 1 1276 . 1 . 1 114 114 GLU HA H 1 4.271 0.000 . . . . . . A 114 GLU HA . 34541 1 1277 . 1 . 1 114 114 GLU HB2 H 1 2.057 0.000 . . . . . . A 114 GLU HB2 . 34541 1 1278 . 1 . 1 114 114 GLU HB3 H 1 1.920 0.000 . . . . . . A 114 GLU HB3 . 34541 1 1279 . 1 . 1 114 114 GLU HG2 H 1 2.276 0.000 . . . . . . A 114 GLU HG2 . 34541 1 1280 . 1 . 1 114 114 GLU HG3 H 1 2.276 0.000 . . . . . . A 114 GLU HG3 . 34541 1 1281 . 1 . 1 114 114 GLU C C 13 176.366 0.004 . . . . . . A 114 GLU C . 34541 1 1282 . 1 . 1 114 114 GLU CA C 13 56.557 0.000 . . . . . . A 114 GLU CA . 34541 1 1283 . 1 . 1 114 114 GLU CB C 13 30.271 0.017 . . . . . . A 114 GLU CB . 34541 1 1284 . 1 . 1 114 114 GLU CG C 13 36.352 0.006 . . . . . . A 114 GLU CG . 34541 1 1285 . 1 . 1 114 114 GLU N N 15 121.033 0.004 . . . . . . A 114 GLU N . 34541 1 1286 . 1 . 1 115 115 GLU H H 1 8.313 0.000 . . . . . . A 115 GLU H . 34541 1 1287 . 1 . 1 115 115 GLU HA H 1 4.299 0.007 . . . . . . A 115 GLU HA . 34541 1 1288 . 1 . 1 115 115 GLU HB2 H 1 1.906 0.000 . . . . . . A 115 GLU HB2 . 34541 1 1289 . 1 . 1 115 115 GLU HB3 H 1 2.063 0.000 . . . . . . A 115 GLU HB3 . 34541 1 1290 . 1 . 1 115 115 GLU HG2 H 1 2.274 0.000 . . . . . . A 115 GLU HG2 . 34541 1 1291 . 1 . 1 115 115 GLU HG3 H 1 2.274 0.000 . . . . . . A 115 GLU HG3 . 34541 1 1292 . 1 . 1 115 115 GLU C C 13 175.396 0.006 . . . . . . A 115 GLU C . 34541 1 1293 . 1 . 1 115 115 GLU CA C 13 56.561 0.047 . . . . . . A 115 GLU CA . 34541 1 1294 . 1 . 1 115 115 GLU CB C 13 30.435 0.051 . . . . . . A 115 GLU CB . 34541 1 1295 . 1 . 1 115 115 GLU CG C 13 36.335 0.009 . . . . . . A 115 GLU CG . 34541 1 1296 . 1 . 1 115 115 GLU N N 15 121.969 0.003 . . . . . . A 115 GLU N . 34541 1 1297 . 1 . 1 116 116 ASN H H 1 8.030 0.001 . . . . . . A 116 ASN H . 34541 1 1298 . 1 . 1 116 116 ASN HA H 1 4.479 0.000 . . . . . . A 116 ASN HA . 34541 1 1299 . 1 . 1 116 116 ASN HB2 H 1 2.666 0.000 . . . . . . A 116 ASN HB2 . 34541 1 1300 . 1 . 1 116 116 ASN HB3 H 1 2.765 0.000 . . . . . . A 116 ASN HB3 . 34541 1 1301 . 1 . 1 116 116 ASN C C 13 179.599 0.000 . . . . . . A 116 ASN C . 34541 1 1302 . 1 . 1 116 116 ASN CA C 13 54.791 0.029 . . . . . . A 116 ASN CA . 34541 1 1303 . 1 . 1 116 116 ASN CB C 13 40.641 0.052 . . . . . . A 116 ASN CB . 34541 1 1304 . 1 . 1 116 116 ASN N N 15 125.277 0.002 . . . . . . A 116 ASN N . 34541 1 stop_ save_