data_27991 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27991 _Entry.Title ; Assignment of 1H, 13C and 15N resonances of Influenza A virus (H1N1) Non structural protein 2 (NS2) ; _Entry.Type macromolecule _Entry.Version_type new _Entry.Submission_date 2019-07-30 _Entry.Accession_date 2019-07-30 _Entry.Last_release_date 2019-07-31 _Entry.Original_release_date 2019-07-31 _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 _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 'As a part of Drug Discovery Project' _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 Nancy Jaiswal . . . . 27991 2 Dinesh Kumar . . . . 27991 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Center of Biomedical Research' . 27991 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27991 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 349 27991 '15N chemical shifts' 118 27991 '1H chemical shifts' 503 27991 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-07-20 . original BMRB . 27991 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27991 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33470198 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Effect of urea concentration on instant refolding of Nuclear Export Protein (NEP) from Influenza-A virus H1N1: A solution NMR based investigation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Biol. Macromol.' _Citation.Journal_name_full 'International journal of biological macromolecules' _Citation.Journal_volume 165 _Citation.Journal_issue 'Pt B' _Citation.Journal_ASTM . _Citation.Journal_ISSN 1879-0003 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2508 _Citation.Page_last 2519 _Citation.Year 2020 _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 Nancy Jaiswal N. . . . 27991 1 2 Nipanshu Agarwal N. . . . 27991 1 3 'Krishna Mohan' Poluri K. M. . . 27991 1 4 Dinesh Kumar D. . . . 27991 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Influenza A virus' 27991 1 'NMR Assignments' 27991 1 NS2 27991 1 'Non-structural protein' 27991 1 'Swine flu' 27991 1 'Urea Denatured state' 27991 1 'strain H1N1' 27991 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27991 _Assembly.ID 1 _Assembly.Name H1N1-NS2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14322 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 27991 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 H1N1-NS2 1 $H1N1-NS2 A . yes denatured yes yes . . 'plays role in virus replication cycle' 27991 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H1N1-NS2 _Entity.Sf_category entity _Entity.Sf_framecode H1N1-NS2 _Entity.Entry_ID 27991 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name H1N1-NS2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDSNTMSSFQDILMRMSKMQ LGSSSEDLNGMVTRFESLKI YRDSLGETVMRMGDLHYLQS RNEKWREQLGQKFEEIRWLI EEMRHRLKPTENSFEQITFM QALQLLLEVEQEIRTFSFQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'protein has 6XHis tag with TEV cleavage site at N terminus' _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment H1N1-NS2 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14322 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; H1N1-NS2 gene was taken from Influenza A virus (A/India/NIV30784/2010(H1N1)) https://www.ncbi.nlm.nih.gov/protein/AEM63423.1?report=genbank&log$=prottop&blast_rank=1&RID=JVFRJ323015 ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; It provides an efficient mechanism for Influenza-A virus to replicate and propagate inside human and therefore, have been recognized as potential targets for designing antiviral therapies. ; 27991 1 ; NS2 is directly involved in modulating the important aspects of the virus replication cycle, including viral RNA replication, viral protein synthesis, and general host cell physiology. ; 27991 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID H1N1-NS2 abbreviation 27991 1 H1N1-NS2 common 27991 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 . 27991 1 2 . ASP . 27991 1 3 . SER . 27991 1 4 . ASN . 27991 1 5 . THR . 27991 1 6 . MET . 27991 1 7 . SER . 27991 1 8 . SER . 27991 1 9 . PHE . 27991 1 10 . GLN . 27991 1 11 . ASP . 27991 1 12 . ILE . 27991 1 13 . LEU . 27991 1 14 . MET . 27991 1 15 . ARG . 27991 1 16 . MET . 27991 1 17 . SER . 27991 1 18 . LYS . 27991 1 19 . MET . 27991 1 20 . GLN . 27991 1 21 . LEU . 27991 1 22 . GLY . 27991 1 23 . SER . 27991 1 24 . SER . 27991 1 25 . SER . 27991 1 26 . GLU . 27991 1 27 . ASP . 27991 1 28 . LEU . 27991 1 29 . ASN . 27991 1 30 . GLY . 27991 1 31 . MET . 27991 1 32 . VAL . 27991 1 33 . THR . 27991 1 34 . ARG . 27991 1 35 . PHE . 27991 1 36 . GLU . 27991 1 37 . SER . 27991 1 38 . LEU . 27991 1 39 . LYS . 27991 1 40 . ILE . 27991 1 41 . TYR . 27991 1 42 . ARG . 27991 1 43 . ASP . 27991 1 44 . SER . 27991 1 45 . LEU . 27991 1 46 . GLY . 27991 1 47 . GLU . 27991 1 48 . THR . 27991 1 49 . VAL . 27991 1 50 . MET . 27991 1 51 . ARG . 27991 1 52 . MET . 27991 1 53 . GLY . 27991 1 54 . ASP . 27991 1 55 . LEU . 27991 1 56 . HIS . 27991 1 57 . TYR . 27991 1 58 . LEU . 27991 1 59 . GLN . 27991 1 60 . SER . 27991 1 61 . ARG . 27991 1 62 . ASN . 27991 1 63 . GLU . 27991 1 64 . LYS . 27991 1 65 . TRP . 27991 1 66 . ARG . 27991 1 67 . GLU . 27991 1 68 . GLN . 27991 1 69 . LEU . 27991 1 70 . GLY . 27991 1 71 . GLN . 27991 1 72 . LYS . 27991 1 73 . PHE . 27991 1 74 . GLU . 27991 1 75 . GLU . 27991 1 76 . ILE . 27991 1 77 . ARG . 27991 1 78 . TRP . 27991 1 79 . LEU . 27991 1 80 . ILE . 27991 1 81 . GLU . 27991 1 82 . GLU . 27991 1 83 . MET . 27991 1 84 . ARG . 27991 1 85 . HIS . 27991 1 86 . ARG . 27991 1 87 . LEU . 27991 1 88 . LYS . 27991 1 89 . PRO . 27991 1 90 . THR . 27991 1 91 . GLU . 27991 1 92 . ASN . 27991 1 93 . SER . 27991 1 94 . PHE . 27991 1 95 . GLU . 27991 1 96 . GLN . 27991 1 97 . ILE . 27991 1 98 . THR . 27991 1 99 . PHE . 27991 1 100 . MET . 27991 1 101 . GLN . 27991 1 102 . ALA . 27991 1 103 . LEU . 27991 1 104 . GLN . 27991 1 105 . LEU . 27991 1 106 . LEU . 27991 1 107 . LEU . 27991 1 108 . GLU . 27991 1 109 . VAL . 27991 1 110 . GLU . 27991 1 111 . GLN . 27991 1 112 . GLU . 27991 1 113 . ILE . 27991 1 114 . ARG . 27991 1 115 . THR . 27991 1 116 . PHE . 27991 1 117 . SER . 27991 1 118 . PHE . 27991 1 119 . GLN . 27991 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 27991 1 . ASP 2 2 27991 1 . SER 3 3 27991 1 . ASN 4 4 27991 1 . THR 5 5 27991 1 . MET 6 6 27991 1 . SER 7 7 27991 1 . SER 8 8 27991 1 . PHE 9 9 27991 1 . GLN 10 10 27991 1 . ASP 11 11 27991 1 . ILE 12 12 27991 1 . LEU 13 13 27991 1 . MET 14 14 27991 1 . ARG 15 15 27991 1 . MET 16 16 27991 1 . SER 17 17 27991 1 . LYS 18 18 27991 1 . MET 19 19 27991 1 . GLN 20 20 27991 1 . LEU 21 21 27991 1 . GLY 22 22 27991 1 . SER 23 23 27991 1 . SER 24 24 27991 1 . SER 25 25 27991 1 . GLU 26 26 27991 1 . ASP 27 27 27991 1 . LEU 28 28 27991 1 . ASN 29 29 27991 1 . GLY 30 30 27991 1 . MET 31 31 27991 1 . VAL 32 32 27991 1 . THR 33 33 27991 1 . ARG 34 34 27991 1 . PHE 35 35 27991 1 . GLU 36 36 27991 1 . SER 37 37 27991 1 . LEU 38 38 27991 1 . LYS 39 39 27991 1 . ILE 40 40 27991 1 . TYR 41 41 27991 1 . ARG 42 42 27991 1 . ASP 43 43 27991 1 . SER 44 44 27991 1 . LEU 45 45 27991 1 . GLY 46 46 27991 1 . GLU 47 47 27991 1 . THR 48 48 27991 1 . VAL 49 49 27991 1 . MET 50 50 27991 1 . ARG 51 51 27991 1 . MET 52 52 27991 1 . GLY 53 53 27991 1 . ASP 54 54 27991 1 . LEU 55 55 27991 1 . HIS 56 56 27991 1 . TYR 57 57 27991 1 . LEU 58 58 27991 1 . GLN 59 59 27991 1 . SER 60 60 27991 1 . ARG 61 61 27991 1 . ASN 62 62 27991 1 . GLU 63 63 27991 1 . LYS 64 64 27991 1 . TRP 65 65 27991 1 . ARG 66 66 27991 1 . GLU 67 67 27991 1 . GLN 68 68 27991 1 . LEU 69 69 27991 1 . GLY 70 70 27991 1 . GLN 71 71 27991 1 . LYS 72 72 27991 1 . PHE 73 73 27991 1 . GLU 74 74 27991 1 . GLU 75 75 27991 1 . ILE 76 76 27991 1 . ARG 77 77 27991 1 . TRP 78 78 27991 1 . LEU 79 79 27991 1 . ILE 80 80 27991 1 . GLU 81 81 27991 1 . GLU 82 82 27991 1 . MET 83 83 27991 1 . ARG 84 84 27991 1 . HIS 85 85 27991 1 . ARG 86 86 27991 1 . LEU 87 87 27991 1 . LYS 88 88 27991 1 . PRO 89 89 27991 1 . THR 90 90 27991 1 . GLU 91 91 27991 1 . ASN 92 92 27991 1 . SER 93 93 27991 1 . PHE 94 94 27991 1 . GLU 95 95 27991 1 . GLN 96 96 27991 1 . ILE 97 97 27991 1 . THR 98 98 27991 1 . PHE 99 99 27991 1 . MET 100 100 27991 1 . GLN 101 101 27991 1 . ALA 102 102 27991 1 . LEU 103 103 27991 1 . GLN 104 104 27991 1 . LEU 105 105 27991 1 . LEU 106 106 27991 1 . LEU 107 107 27991 1 . GLU 108 108 27991 1 . VAL 109 109 27991 1 . GLU 110 110 27991 1 . GLN 111 111 27991 1 . GLU 112 112 27991 1 . ILE 113 113 27991 1 . ARG 114 114 27991 1 . THR 115 115 27991 1 . PHE 116 116 27991 1 . SER 117 117 27991 1 . PHE 118 118 27991 1 . GLN 119 119 27991 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 27991 _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 $H1N1-NS2 . 11320 virus . 'Influenza A' 'Influenza A' . . Viruses . Alphainfluenzavirus 'Influenza A' H1N1 H1N1 . . . . . . . . . 'Non structural protein 2 (NS2)' ; H1N1-NS2 gene was taken from Influenza A virus (A/India/NIV30784/2010(H1N1)) https://www.ncbi.nlm.nih.gov/protein/AEM63423.1?report=genbank&log$=prottop&blast_rank=1&RID=JVFRJ323015 ; 27991 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 27991 _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 $H1N1-NS2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pet28b . . 'pet28b, Nco1/Nde1, 6XHis tag and TEV clevage site at N terminus' 27991 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27991 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details H1N1-NS2 _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 H1N1-NS2 '[U-99% 13C; U-99% 15N]' . . 1 $H1N1-NS2 . . 0.8 . . mM 0.2 . . . 27991 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 27991 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 27991 1 4 urea 'natural abundance' . . . . . . 9.7 . . M . . . . 27991 1 5 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 27991 1 6 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27991 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 27991 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details ; The high salinity of the sample may have contributed to overheating of the sample during experiments with long saturation periods like the TOCSY experiments. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 6.0 0.1 n/a 27991 1 pressure 1 . atm 27991 1 temperature 300 1 K 27991 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27991 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9.1 _Software.DOI . _Software.Details ; CARA (Computer Aided Resonance Assignment) is a freely available software (developed in Professor Kurt Wuthrich's group) for the analysis of NMR spectra and is particularly suited for protein resonance assignment. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Freely Available' "Professor Kurt Wuthrich's group, ETH Zurich" http://www.cara.nmr-software.org/download/CARA_1.9.1.7_win32.gz 27991 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27991 1 'data analysis' . 27991 1 'structure solution' . 27991 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27991 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Equipped with Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 27991 _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 Bruker Avance . 800 'Equipped with Cryoprobe' . . 27991 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 27991 _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 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27991 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27991 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27991 1 4 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27991 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27991 1 6 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27991 1 7 '3D hNCAnH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27991 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27991 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 27991 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'PANAV- Probabilistic Approach to NMR Assignment and Validation (Online Application tool).' 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 'indirectly referenced' 'methyl carbon' . . . . ppm 0.0 na indirect 0.25144953 . . . . . 27991 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 27991 1 N 15 'indirectly referenced' nitrogen . . . . ppm 0.0 na indirect 0.101329118 . . . . . 27991 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27991 _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 $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method PANAV _Assigned_chem_shift_list.Details ; PANAV (http://panav.wishartlab.com/) is an efficient chemical shift validation and re-referencing tool which has been used here to validate the chemical shift referencing. According to this online application tool, the chemical shifts may be deviated from the reference database shifts as per the following: CO: -0.33ppm CA: -0.26ppm CB: 0.03ppm N: -1.37ppm ; _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 '3D HNCO' . . . 27991 1 2 '3D HNCA' . . . 27991 1 3 '3D CBCA(CO)NH' . . . 27991 1 4 '3D H(CCO)NH' . . . 27991 1 5 '3D HNCACB' . . . 27991 1 6 '3D HNCACO' . . . 27991 1 7 '3D hNCAnH' . . . 27991 1 8 '3D 1H-15N TOCSY' . . . 27991 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 27991 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 8.33 0.02 . 1 . . . . . 1 MET H . 27991 1 2 . 1 . 1 1 1 MET HA H 1 4.546 0.02 . 1 . . . . . 1 MET HA . 27991 1 3 . 1 . 1 1 1 MET HB2 H 1 2.043 0.02 . 1 . . . . . 1 MET HB2 . 27991 1 4 . 1 . 1 1 1 MET HG2 H 1 2.597 0.02 . 1 . . . . . 1 MET HG2 . 27991 1 5 . 1 . 1 1 1 MET C C 13 176.033 0.3 . 1 . . . . . 1 MET C . 27991 1 6 . 1 . 1 1 1 MET CA C 13 55.719 0.3 . 1 . . . . . 1 MET CA . 27991 1 7 . 1 . 1 1 1 MET CB C 13 33.334 0.3 . 1 . . . . . 1 MET CB . 27991 1 8 . 1 . 1 1 1 MET N N 15 119.715 0.3 . 1 . . . . . 1 MET N . 27991 1 9 . 1 . 1 2 2 ASP H H 1 8.584 0.02 . 1 . . . . . 2 ASP H . 27991 1 10 . 1 . 1 2 2 ASP HA H 1 4.5 0.02 . 1 . . . . . 2 ASP HA . 27991 1 11 . 1 . 1 2 2 ASP HB2 H 1 2.839 0.02 . 2 . . . . . 2 ASP HB2 . 27991 1 12 . 1 . 1 2 2 ASP HB3 H 1 2.753 0.02 . 2 . . . . . 2 ASP HB3 . 27991 1 13 . 1 . 1 2 2 ASP C C 13 176.509 0.3 . 1 . . . . . 2 ASP C . 27991 1 14 . 1 . 1 2 2 ASP CA C 13 54.323 0.3 . 1 . . . . . 2 ASP CA . 27991 1 15 . 1 . 1 2 2 ASP CB C 13 41.504 0.3 . 1 . . . . . 2 ASP CB . 27991 1 16 . 1 . 1 2 2 ASP N N 15 121.649 0.3 . 1 . . . . . 2 ASP N . 27991 1 17 . 1 . 1 3 3 SER H H 1 8.424 0.02 . 1 . . . . . 3 SER H . 27991 1 18 . 1 . 1 3 3 SER HA H 1 4.481 0.02 . 1 . . . . . 3 SER HA . 27991 1 19 . 1 . 1 3 3 SER HB3 H 1 3.949 0.02 . 1 . . . . . 3 SER HB3 . 27991 1 20 . 1 . 1 3 3 SER C C 13 174.703 0.3 . 1 . . . . . 3 SER C . 27991 1 21 . 1 . 1 3 3 SER CA C 13 58.89 0.3 . 1 . . . . . 3 SER CA . 27991 1 22 . 1 . 1 3 3 SER CB C 13 63.892 0.3 . 1 . . . . . 3 SER CB . 27991 1 23 . 1 . 1 3 3 SER N N 15 116.364 0.3 . 1 . . . . . 3 SER N . 27991 1 24 . 1 . 1 4 4 ASN H H 1 8.642 0.02 . 1 . . . . . 4 ASN H . 27991 1 25 . 1 . 1 4 4 ASN HA H 1 4.871 0.02 . 1 . . . . . 4 ASN HA . 27991 1 26 . 1 . 1 4 4 ASN HB2 H 1 2.925 0.02 . 1 . . . . . 4 ASN HB2 . 27991 1 27 . 1 . 1 4 4 ASN C C 13 175.775 0.3 . 1 . . . . . 4 ASN C . 27991 1 28 . 1 . 1 4 4 ASN CA C 13 53.657 0.3 . 1 . . . . . 4 ASN CA . 27991 1 29 . 1 . 1 4 4 ASN CB C 13 38.836 0.3 . 1 . . . . . 4 ASN CB . 27991 1 30 . 1 . 1 4 4 ASN N N 15 120.711 0.3 . 1 . . . . . 4 ASN N . 27991 1 31 . 1 . 1 5 5 THR H H 1 8.185 0.02 . 1 . . . . . 5 THR H . 27991 1 32 . 1 . 1 5 5 THR HA H 1 4.406 0.02 . 1 . . . . . 5 THR HA . 27991 1 33 . 1 . 1 5 5 THR HG21 H 1 1.283 0.02 . 1 . . . . . 5 THR HG2 . 27991 1 34 . 1 . 1 5 5 THR HG22 H 1 1.283 0.02 . 1 . . . . . 5 THR HG2 . 27991 1 35 . 1 . 1 5 5 THR HG23 H 1 1.283 0.02 . 1 . . . . . 5 THR HG2 . 27991 1 36 . 1 . 1 5 5 THR C C 13 174.906 0.3 . 1 . . . . . 5 THR C . 27991 1 37 . 1 . 1 5 5 THR CA C 13 62.221 0.3 . 1 . . . . . 5 THR CA . 27991 1 38 . 1 . 1 5 5 THR CB C 13 69.691 0.3 . 1 . . . . . 5 THR CB . 27991 1 39 . 1 . 1 5 5 THR N N 15 113.896 0.3 . 1 . . . . . 5 THR N . 27991 1 40 . 1 . 1 6 6 MET H H 1 8.434 0.02 . 1 . . . . . 6 MET H . 27991 1 41 . 1 . 1 6 6 MET HA H 1 4.384 0.02 . 1 . . . . . 6 MET HA . 27991 1 42 . 1 . 1 6 6 MET HB2 H 1 2.103 0.02 . 1 . . . . . 6 MET HB2 . 27991 1 43 . 1 . 1 6 6 MET HE1 H 1 1.872 0.02 . 1 . . . . . 6 MET HE . 27991 1 44 . 1 . 1 6 6 MET HE2 H 1 1.872 0.02 . 1 . . . . . 6 MET HE . 27991 1 45 . 1 . 1 6 6 MET HE3 H 1 1.872 0.02 . 1 . . . . . 6 MET HE . 27991 1 46 . 1 . 1 6 6 MET C C 13 176.414 0.3 . 1 . . . . . 6 MET C . 27991 1 47 . 1 . 1 6 6 MET CA C 13 55.75 0.3 . 1 . . . . . 6 MET CA . 27991 1 48 . 1 . 1 6 6 MET CB C 13 32.962 0.3 . 1 . . . . . 6 MET CB . 27991 1 49 . 1 . 1 6 6 MET N N 15 122.311 0.3 . 1 . . . . . 6 MET N . 27991 1 50 . 1 . 1 7 7 SER H H 1 8.44 0.02 . 1 . . . . . 7 SER H . 27991 1 51 . 1 . 1 7 7 SER HA H 1 4.637 0.02 . 1 . . . . . 7 SER HA . 27991 1 52 . 1 . 1 7 7 SER HB2 H 1 3.116 0.02 . 1 . . . . . 7 SER HB2 . 27991 1 53 . 1 . 1 7 7 SER HB3 H 1 3.116 0.02 . 1 . . . . . 7 SER HB3 . 27991 1 54 . 1 . 1 7 7 SER C C 13 174.689 0.3 . 1 . . . . . 7 SER C . 27991 1 55 . 1 . 1 7 7 SER CA C 13 58.573 0.3 . 1 . . . . . 7 SER CA . 27991 1 56 . 1 . 1 7 7 SER CB C 13 64.041 0.3 . 1 . . . . . 7 SER CB . 27991 1 57 . 1 . 1 7 7 SER N N 15 117.125 0.3 . 1 . . . . . 7 SER N . 27991 1 58 . 1 . 1 8 8 SER H H 1 8.491 0.02 . 1 . . . . . 8 SER H . 27991 1 59 . 1 . 1 8 8 SER HA H 1 4.537 0.02 . 1 . . . . . 8 SER HA . 27991 1 60 . 1 . 1 8 8 SER HB3 H 1 3.911 0.02 . 1 . . . . . 8 SER HB3 . 27991 1 61 . 1 . 1 8 8 SER C C 13 175.816 0.3 . 1 . . . . . 8 SER C . 27991 1 62 . 1 . 1 8 8 SER CA C 13 58.476 0.3 . 1 . . . . . 8 SER CA . 27991 1 63 . 1 . 1 8 8 SER CB C 13 64.029 0.3 . 1 . . . . . 8 SER CB . 27991 1 64 . 1 . 1 8 8 SER N N 15 117.863 0.3 . 1 . . . . . 8 SER N . 27991 1 65 . 1 . 1 9 9 PHE H H 1 8.384 0.02 . 1 . . . . . 9 PHE H . 27991 1 66 . 1 . 1 9 9 PHE HA H 1 4.646 0.02 . 1 . . . . . 9 PHE HA . 27991 1 67 . 1 . 1 9 9 PHE HB2 H 1 3.144 0.02 . 1 . . . . . 9 PHE HB2 . 27991 1 68 . 1 . 1 9 9 PHE C C 13 176.156 0.3 . 1 . . . . . 9 PHE C . 27991 1 69 . 1 . 1 9 9 PHE CA C 13 58.319 0.3 . 1 . . . . . 9 PHE CA . 27991 1 70 . 1 . 1 9 9 PHE CB C 13 39.654 0.3 . 1 . . . . . 9 PHE CB . 27991 1 71 . 1 . 1 9 9 PHE N N 15 122.189 0.3 . 1 . . . . . 9 PHE N . 27991 1 72 . 1 . 1 10 10 GLN H H 1 8.342 0.02 . 1 . . . . . 10 GLN H . 27991 1 73 . 1 . 1 10 10 GLN HA H 1 4.307 0.02 . 1 . . . . . 10 GLN HA . 27991 1 74 . 1 . 1 10 10 GLN HB2 H 1 2.103 0.02 . 2 . . . . . 10 GLN HB2 . 27991 1 75 . 1 . 1 10 10 GLN HB3 H 1 2.009 0.02 . 2 . . . . . 10 GLN HB3 . 27991 1 76 . 1 . 1 10 10 GLN HG3 H 1 2.366 0.02 . 1 . . . . . 10 GLN HG3 . 27991 1 77 . 1 . 1 10 10 GLN C C 13 175.572 0.3 . 1 . . . . . 10 GLN C . 27991 1 78 . 1 . 1 10 10 GLN CA C 13 56.068 0.3 . 1 . . . . . 10 GLN CA . 27991 1 79 . 1 . 1 10 10 GLN CB C 13 29.765 0.3 . 1 . . . . . 10 GLN CB . 27991 1 80 . 1 . 1 10 10 GLN N N 15 121.434 0.3 . 1 . . . . . 10 GLN N . 27991 1 81 . 1 . 1 11 11 ASP H H 1 8.345 0.02 . 1 . . . . . 11 ASP H . 27991 1 82 . 1 . 1 11 11 ASP HA H 1 4.624 0.02 . 1 . . . . . 11 ASP HA . 27991 1 83 . 1 . 1 11 11 ASP HB2 H 1 2.744 0.02 . 1 . . . . . 11 ASP HB2 . 27991 1 84 . 1 . 1 11 11 ASP C C 13 176.576 0.3 . 1 . . . . . 11 ASP C . 27991 1 85 . 1 . 1 11 11 ASP CA C 13 54.64 0.3 . 1 . . . . . 11 ASP CA . 27991 1 86 . 1 . 1 11 11 ASP CB C 13 41.587 0.3 . 1 . . . . . 11 ASP CB . 27991 1 87 . 1 . 1 11 11 ASP N N 15 121.929 0.3 . 1 . . . . . 11 ASP N . 27991 1 88 . 1 . 1 12 12 ILE H H 1 8.149 0.02 . 1 . . . . . 12 ILE H . 27991 1 89 . 1 . 1 12 12 ILE HA H 1 4.143 0.02 . 1 . . . . . 12 ILE HA . 27991 1 90 . 1 . 1 12 12 ILE HB H 1 1.933 0.02 . 1 . . . . . 12 ILE HB . 27991 1 91 . 1 . 1 12 12 ILE HG12 H 1 1.546 0.02 . 2 . . . . . 12 ILE HG12 . 27991 1 92 . 1 . 1 12 12 ILE HG13 H 1 1.242 0.02 . 2 . . . . . 12 ILE HG13 . 27991 1 93 . 1 . 1 12 12 ILE HG21 H 1 0.947 0.02 . 1 . . . . . 12 ILE HG2 . 27991 1 94 . 1 . 1 12 12 ILE HG22 H 1 0.947 0.02 . 1 . . . . . 12 ILE HG2 . 27991 1 95 . 1 . 1 12 12 ILE HG23 H 1 0.947 0.02 . 1 . . . . . 12 ILE HG2 . 27991 1 96 . 1 . 1 12 12 ILE C C 13 176.4 0.3 . 1 . . . . . 12 ILE C . 27991 1 97 . 1 . 1 12 12 ILE CA C 13 61.745 0.3 . 1 . . . . . 12 ILE CA . 27991 1 98 . 1 . 1 12 12 ILE CB C 13 38.687 0.3 . 1 . . . . . 12 ILE CB . 27991 1 99 . 1 . 1 12 12 ILE N N 15 120.783 0.3 . 1 . . . . . 12 ILE N . 27991 1 100 . 1 . 1 13 13 LEU H H 1 8.294 0.02 . 1 . . . . . 13 LEU H . 27991 1 101 . 1 . 1 13 13 LEU HA H 1 4.362 0.02 . 1 . . . . . 13 LEU HA . 27991 1 102 . 1 . 1 13 13 LEU HB3 H 1 1.672 0.02 . 1 . . . . . 13 LEU HB3 . 27991 1 103 . 1 . 1 13 13 LEU C C 13 177.649 0.3 . 1 . . . . . 13 LEU C . 27991 1 104 . 1 . 1 13 13 LEU CA C 13 55.401 0.3 . 1 . . . . . 13 LEU CA . 27991 1 105 . 1 . 1 13 13 LEU CB C 13 42.107 0.3 . 1 . . . . . 13 LEU CB . 27991 1 106 . 1 . 1 13 13 LEU N N 15 124.767 0.3 . 1 . . . . . 13 LEU N . 27991 1 107 . 1 . 1 14 14 MET H H 1 8.436 0.02 . 1 . . . . . 14 MET H . 27991 1 108 . 1 . 1 14 14 MET HA H 1 4.447 0.02 . 1 . . . . . 14 MET HA . 27991 1 109 . 1 . 1 14 14 MET HB2 H 1 2.051 0.02 . 1 . . . . . 14 MET HB2 . 27991 1 110 . 1 . 1 14 14 MET HG2 H 1 2.597 0.02 . 2 . . . . . 14 MET HG2 . 27991 1 111 . 1 . 1 14 14 MET HG3 H 1 2.482 0.02 . 2 . . . . . 14 MET HG3 . 27991 1 112 . 1 . 1 14 14 MET C C 13 176.414 0.3 . 1 . . . . . 14 MET C . 27991 1 113 . 1 . 1 14 14 MET CA C 13 55.66 0.3 . 1 . . . . . 14 MET CA . 27991 1 114 . 1 . 1 14 14 MET CB C 13 33.111 0.3 . 1 . . . . . 14 MET CB . 27991 1 115 . 1 . 1 14 14 MET N N 15 121.364 0.3 . 1 . . . . . 14 MET N . 27991 1 116 . 1 . 1 15 15 ARG H H 1 8.481 0.02 . 1 . . . . . 15 ARG H . 27991 1 117 . 1 . 1 15 15 ARG HA H 1 4.342 0.02 . 1 . . . . . 15 ARG HA . 27991 1 118 . 1 . 1 15 15 ARG HB2 H 1 1.988 0.02 . 1 . . . . . 15 ARG HB2 . 27991 1 119 . 1 . 1 15 15 ARG C C 13 176.101 0.3 . 1 . . . . . 15 ARG C . 27991 1 120 . 1 . 1 15 15 ARG CA C 13 55.928 0.3 . 1 . . . . . 15 ARG CA . 27991 1 121 . 1 . 1 15 15 ARG CB C 13 30.806 0.3 . 1 . . . . . 15 ARG CB . 27991 1 122 . 1 . 1 15 15 ARG N N 15 122.497 0.3 . 1 . . . . . 15 ARG N . 27991 1 123 . 1 . 1 16 16 MET H H 1 8.52 0.02 . 1 . . . . . 16 MET H . 27991 1 124 . 1 . 1 16 16 MET HA H 1 4.384 0.02 . 1 . . . . . 16 MET HA . 27991 1 125 . 1 . 1 16 16 MET HB2 H 1 2.072 0.02 . 1 . . . . . 16 MET HB2 . 27991 1 126 . 1 . 1 16 16 MET HG2 H 1 2.419 0.02 . 1 . . . . . 16 MET HG2 . 27991 1 127 . 1 . 1 16 16 MET C C 13 176.454 0.3 . 1 . . . . . 16 MET C . 27991 1 128 . 1 . 1 16 16 MET CA C 13 55.754 0.3 . 1 . . . . . 16 MET CA . 27991 1 129 . 1 . 1 16 16 MET CB C 13 33.185 0.3 . 1 . . . . . 16 MET CB . 27991 1 130 . 1 . 1 16 16 MET N N 15 121.568 0.3 . 1 . . . . . 16 MET N . 27991 1 131 . 1 . 1 17 17 SER H H 1 8.521 0.02 . 1 . . . . . 17 SER H . 27991 1 132 . 1 . 1 17 17 SER HA H 1 4.521 0.02 . 1 . . . . . 17 SER HA . 27991 1 133 . 1 . 1 17 17 SER HB2 H 1 3.953 0.02 . 1 . . . . . 17 SER HB2 . 27991 1 134 . 1 . 1 17 17 SER C C 13 173.821 0.3 . 1 . . . . . 17 SER C . 27991 1 135 . 1 . 1 17 17 SER CA C 13 58.51 0.3 . 1 . . . . . 17 SER CA . 27991 1 136 . 1 . 1 17 17 SER CB C 13 64.115 0.3 . 1 . . . . . 17 SER CB . 27991 1 137 . 1 . 1 17 17 SER N N 15 117.434 0.3 . 1 . . . . . 17 SER N . 27991 1 138 . 1 . 1 18 18 LYS H H 1 8.553 0.02 . 1 . . . . . 18 LYS H . 27991 1 139 . 1 . 1 18 18 LYS HA H 1 4.352 0.02 . 1 . . . . . 18 LYS HA . 27991 1 140 . 1 . 1 18 18 LYS HB2 H 1 1.946 0.02 . 1 . . . . . 18 LYS HB2 . 27991 1 141 . 1 . 1 18 18 LYS HD2 H 1 1.694 0.02 . 1 . . . . . 18 LYS HD2 . 27991 1 142 . 1 . 1 18 18 LYS C C 13 175.946 0.3 . 1 . . . . . 18 LYS C . 27991 1 143 . 1 . 1 18 18 LYS CA C 13 56.512 0.3 . 1 . . . . . 18 LYS CA . 27991 1 144 . 1 . 1 18 18 LYS CB C 13 30.871 0.3 . 1 . . . . . 18 LYS CB . 27991 1 145 . 1 . 1 18 18 LYS N N 15 123.061 0.3 . 1 . . . . . 18 LYS N . 27991 1 146 . 1 . 1 19 19 MET H H 1 8.476 0.02 . 1 . . . . . 19 MET H . 27991 1 147 . 1 . 1 19 19 MET HA H 1 4.364 0.02 . 1 . . . . . 19 MET HA . 27991 1 148 . 1 . 1 19 19 MET HB2 H 1 2.05 0.02 . 1 . . . . . 19 MET HB2 . 27991 1 149 . 1 . 1 19 19 MET HG2 H 1 2.44 0.02 . 1 . . . . . 19 MET HG2 . 27991 1 150 . 1 . 1 19 19 MET C C 13 176.565 0.3 . 1 . . . . . 19 MET C . 27991 1 151 . 1 . 1 19 19 MET CA C 13 55.972 0.3 . 1 . . . . . 19 MET CA . 27991 1 152 . 1 . 1 19 19 MET CB C 13 33.037 0.3 . 1 . . . . . 19 MET CB . 27991 1 153 . 1 . 1 19 19 MET N N 15 121.56 0.3 . 1 . . . . . 19 MET N . 27991 1 154 . 1 . 1 20 20 GLN H H 1 8.606 0.02 . 1 . . . . . 20 GLN H . 27991 1 155 . 1 . 1 20 20 GLN HA H 1 4.426 0.02 . 1 . . . . . 20 GLN HA . 27991 1 156 . 1 . 1 20 20 GLN HB2 H 1 2.082 0.02 . 1 . . . . . 20 GLN HB2 . 27991 1 157 . 1 . 1 20 20 GLN HG2 H 1 2.44 0.02 . 1 . . . . . 20 GLN HG2 . 27991 1 158 . 1 . 1 20 20 GLN C C 13 175.946 0.3 . 1 . . . . . 20 GLN C . 27991 1 159 . 1 . 1 20 20 GLN CA C 13 55.9 0.3 . 1 . . . . . 20 GLN CA . 27991 1 160 . 1 . 1 20 20 GLN CB C 13 29.372 0.3 . 1 . . . . . 20 GLN CB . 27991 1 161 . 1 . 1 20 20 GLN N N 15 122.472 0.3 . 1 . . . . . 20 GLN N . 27991 1 162 . 1 . 1 21 21 LEU H H 1 8.487 0.02 . 1 . . . . . 21 LEU H . 27991 1 163 . 1 . 1 21 21 LEU HA H 1 4.447 0.02 . 1 . . . . . 21 LEU HA . 27991 1 164 . 1 . 1 21 21 LEU HB2 H 1 1.704 0.02 . 1 . . . . . 21 LEU HB2 . 27991 1 165 . 1 . 1 21 21 LEU HD11 H 1 0.968 0.02 . 1 . . . . . 21 LEU HD1 . 27991 1 166 . 1 . 1 21 21 LEU HD12 H 1 0.968 0.02 . 1 . . . . . 21 LEU HD1 . 27991 1 167 . 1 . 1 21 21 LEU HD13 H 1 0.968 0.02 . 1 . . . . . 21 LEU HD1 . 27991 1 168 . 1 . 1 21 21 LEU C C 13 177.85 0.3 . 1 . . . . . 21 LEU C . 27991 1 169 . 1 . 1 21 21 LEU CA C 13 55.243 0.3 . 1 . . . . . 21 LEU CA . 27991 1 170 . 1 . 1 21 21 LEU CB C 13 42.702 0.3 . 1 . . . . . 21 LEU CB . 27991 1 171 . 1 . 1 21 21 LEU N N 15 124.285 0.3 . 1 . . . . . 21 LEU N . 27991 1 172 . 1 . 1 22 22 GLY H H 1 8.537 0.02 . 1 . . . . . 22 GLY H . 27991 1 173 . 1 . 1 22 22 GLY HA2 H 1 4.068 0.02 . 1 . . . . . 22 GLY HA2 . 27991 1 174 . 1 . 1 22 22 GLY C C 13 174.138 0.3 . 1 . . . . . 22 GLY C . 27991 1 175 . 1 . 1 22 22 GLY CA C 13 45.189 0.3 . 1 . . . . . 22 GLY CA . 27991 1 176 . 1 . 1 22 22 GLY N N 15 109.7 0.3 . 1 . . . . . 22 GLY N . 27991 1 177 . 1 . 1 23 23 SER H H 1 8.374 0.02 . 1 . . . . . 23 SER H . 27991 1 178 . 1 . 1 23 23 SER HA H 1 4.611 0.02 . 1 . . . . . 23 SER HA . 27991 1 179 . 1 . 1 23 23 SER HB2 H 1 3.974 0.02 . 1 . . . . . 23 SER HB2 . 27991 1 180 . 1 . 1 23 23 SER C C 13 174.852 0.3 . 1 . . . . . 23 SER C . 27991 1 181 . 1 . 1 23 23 SER CA C 13 58.319 0.3 . 1 . . . . . 23 SER CA . 27991 1 182 . 1 . 1 23 23 SER CB C 13 64.338 0.3 . 1 . . . . . 23 SER CB . 27991 1 183 . 1 . 1 23 23 SER N N 15 115.523 0.3 . 1 . . . . . 23 SER N . 27991 1 184 . 1 . 1 24 24 SER H H 1 8.631 0.02 . 1 . . . . . 24 SER H . 27991 1 185 . 1 . 1 24 24 SER HA H 1 4.652 0.02 . 1 . . . . . 24 SER HA . 27991 1 186 . 1 . 1 24 24 SER HB2 H 1 4.016 0.02 . 1 . . . . . 24 SER HB2 . 27991 1 187 . 1 . 1 24 24 SER C C 13 174.915 0.3 . 1 . . . . . 24 SER C . 27991 1 188 . 1 . 1 24 24 SER CA C 13 58.418 0.3 . 1 . . . . . 24 SER CA . 27991 1 189 . 1 . 1 24 24 SER CB C 13 64.135 0.3 . 1 . . . . . 24 SER CB . 27991 1 190 . 1 . 1 24 24 SER N N 15 117.956 0.3 . 1 . . . . . 24 SER N . 27991 1 191 . 1 . 1 25 25 SER H H 1 8.531 0.02 . 1 . . . . . 25 SER H . 27991 1 192 . 1 . 1 25 25 SER HA H 1 4.53 0.02 . 1 . . . . . 25 SER HA . 27991 1 193 . 1 . 1 25 25 SER HB2 H 1 3.974 0.02 . 1 . . . . . 25 SER HB2 . 27991 1 194 . 1 . 1 25 25 SER C C 13 174.741 0.3 . 1 . . . . . 25 SER C . 27991 1 195 . 1 . 1 25 25 SER CA C 13 58.954 0.3 . 1 . . . . . 25 SER CA . 27991 1 196 . 1 . 1 25 25 SER CB C 13 63.978 0.3 . 1 . . . . . 25 SER CB . 27991 1 197 . 1 . 1 25 25 SER N N 15 117.851 0.3 . 1 . . . . . 25 SER N . 27991 1 198 . 1 . 1 26 26 GLU H H 1 8.483 0.02 . 1 . . . . . 26 GLU H . 27991 1 199 . 1 . 1 26 26 GLU HA H 1 4.342 0.02 . 1 . . . . . 26 GLU HA . 27991 1 200 . 1 . 1 26 26 GLU HB2 H 1 2.093 0.02 . 2 . . . . . 26 GLU HB2 . 27991 1 201 . 1 . 1 26 26 GLU HB3 H 1 1.988 0.02 . 2 . . . . . 26 GLU HB3 . 27991 1 202 . 1 . 1 26 26 GLU HG2 H 1 2.313 0.02 . 1 . . . . . 26 GLU HG2 . 27991 1 203 . 1 . 1 26 26 GLU C C 13 176.105 0.3 . 1 . . . . . 26 GLU C . 27991 1 204 . 1 . 1 26 26 GLU CA C 13 56.797 0.3 . 1 . . . . . 26 GLU CA . 27991 1 205 . 1 . 1 26 26 GLU CB C 13 30.509 0.3 . 1 . . . . . 26 GLU CB . 27991 1 206 . 1 . 1 26 26 GLU N N 15 122.306 0.3 . 1 . . . . . 26 GLU N . 27991 1 207 . 1 . 1 27 27 ASP H H 1 8.378 0.02 . 1 . . . . . 27 ASP H . 27991 1 208 . 1 . 1 27 27 ASP HA H 1 4.481 0.02 . 1 . . . . . 27 ASP HA . 27991 1 209 . 1 . 1 27 27 ASP HB2 H 1 2.786 0.02 . 2 . . . . . 27 ASP HB2 . 27991 1 210 . 1 . 1 27 27 ASP HB3 H 1 2.681 0.02 . 2 . . . . . 27 ASP HB3 . 27991 1 211 . 1 . 1 27 27 ASP C C 13 176.803 0.3 . 1 . . . . . 27 ASP C . 27991 1 212 . 1 . 1 27 27 ASP CA C 13 54.355 0.3 . 1 . . . . . 27 ASP CA . 27991 1 213 . 1 . 1 27 27 ASP CB C 13 41.364 0.3 . 1 . . . . . 27 ASP CB . 27991 1 214 . 1 . 1 27 27 ASP N N 15 121.17 0.3 . 1 . . . . . 27 ASP N . 27991 1 215 . 1 . 1 28 28 LEU H H 1 8.298 0.02 . 1 . . . . . 28 LEU H . 27991 1 216 . 1 . 1 28 28 LEU HA H 1 4.362 0.02 . 1 . . . . . 28 LEU HA . 27991 1 217 . 1 . 1 28 28 LEU HB2 H 1 1.704 0.02 . 2 . . . . . 28 LEU HB2 . 27991 1 218 . 1 . 1 28 28 LEU HB3 H 1 1.525 0.02 . 2 . . . . . 28 LEU HB3 . 27991 1 219 . 1 . 1 28 28 LEU HG H 1 1.399 0.02 . 1 . . . . . 28 LEU HG . 27991 1 220 . 1 . 1 28 28 LEU HD11 H 1 0.937 0.02 . 1 . . . . . 28 LEU HD1 . 27991 1 221 . 1 . 1 28 28 LEU HD12 H 1 0.937 0.02 . 1 . . . . . 28 LEU HD1 . 27991 1 222 . 1 . 1 28 28 LEU HD13 H 1 0.937 0.02 . 1 . . . . . 28 LEU HD1 . 27991 1 223 . 1 . 1 28 28 LEU C C 13 177.628 0.3 . 1 . . . . . 28 LEU C . 27991 1 224 . 1 . 1 28 28 LEU CA C 13 55.652 0.3 . 1 . . . . . 28 LEU CA . 27991 1 225 . 1 . 1 28 28 LEU CB C 13 42.033 0.3 . 1 . . . . . 28 LEU CB . 27991 1 226 . 1 . 1 28 28 LEU N N 15 122.92 0.3 . 1 . . . . . 28 LEU N . 27991 1 227 . 1 . 1 29 29 ASN H H 1 8.504 0.02 . 1 . . . . . 29 ASN H . 27991 1 228 . 1 . 1 29 29 ASN HB2 H 1 2.891 0.02 . 1 . . . . . 29 ASN HB2 . 27991 1 229 . 1 . 1 29 29 ASN C C 13 175.994 0.3 . 1 . . . . . 29 ASN C . 27991 1 230 . 1 . 1 29 29 ASN CA C 13 53.72 0.3 . 1 . . . . . 29 ASN CA . 27991 1 231 . 1 . 1 29 29 ASN CB C 13 39.133 0.3 . 1 . . . . . 29 ASN CB . 27991 1 232 . 1 . 1 29 29 ASN N N 15 118.358 0.3 . 1 . . . . . 29 ASN N . 27991 1 233 . 1 . 1 30 30 GLY H H 1 8.355 0.02 . 1 . . . . . 30 GLY H . 27991 1 234 . 1 . 1 30 30 GLY HA2 H 1 4.021 0.02 . 1 . . . . . 30 GLY HA2 . 27991 1 235 . 1 . 1 30 30 GLY C C 13 174.091 0.3 . 1 . . . . . 30 GLY C . 27991 1 236 . 1 . 1 30 30 GLY CA C 13 45.506 0.3 . 1 . . . . . 30 GLY CA . 27991 1 237 . 1 . 1 30 30 GLY N N 15 108.823 0.3 . 1 . . . . . 30 GLY N . 27991 1 238 . 1 . 1 31 31 MET H H 1 8.239 0.02 . 1 . . . . . 31 MET H . 27991 1 239 . 1 . 1 31 31 MET HA H 1 4.552 0.02 . 1 . . . . . 31 MET HA . 27991 1 240 . 1 . 1 31 31 MET HB2 H 1 2.093 0.02 . 1 . . . . . 31 MET HB2 . 27991 1 241 . 1 . 1 31 31 MET HG2 H 1 2.608 0.02 . 1 . . . . . 31 MET HG2 . 27991 1 242 . 1 . 1 31 31 MET C C 13 176.264 0.3 . 1 . . . . . 31 MET C . 27991 1 243 . 1 . 1 31 31 MET CA C 13 55.814 0.3 . 1 . . . . . 31 MET CA . 27991 1 244 . 1 . 1 31 31 MET CB C 13 33.185 0.3 . 1 . . . . . 31 MET CB . 27991 1 245 . 1 . 1 31 31 MET N N 15 119.822 0.3 . 1 . . . . . 31 MET N . 27991 1 246 . 1 . 1 32 32 VAL H H 1 8.326 0.02 . 1 . . . . . 32 VAL H . 27991 1 247 . 1 . 1 32 32 VAL HA H 1 4.247 0.02 . 1 . . . . . 32 VAL HA . 27991 1 248 . 1 . 1 32 32 VAL HB H 1 2.128 0.02 . 1 . . . . . 32 VAL HB . 27991 1 249 . 1 . 1 32 32 VAL HG11 H 1 0.99 0.02 . 1 . . . . . 32 VAL HG1 . 27991 1 250 . 1 . 1 32 32 VAL HG12 H 1 0.99 0.02 . 1 . . . . . 32 VAL HG1 . 27991 1 251 . 1 . 1 32 32 VAL HG13 H 1 0.99 0.02 . 1 . . . . . 32 VAL HG1 . 27991 1 252 . 1 . 1 32 32 VAL C C 13 176.406 0.3 . 1 . . . . . 32 VAL C . 27991 1 253 . 1 . 1 32 32 VAL CA C 13 62.379 0.3 . 1 . . . . . 32 VAL CA . 27991 1 254 . 1 . 1 32 32 VAL CB C 13 33.061 0.3 . 1 . . . . . 32 VAL CB . 27991 1 255 . 1 . 1 32 32 VAL N N 15 121.626 0.3 . 1 . . . . . 32 VAL N . 27991 1 256 . 1 . 1 33 33 THR H H 1 8.382 0.02 . 1 . . . . . 33 THR H . 27991 1 257 . 1 . 1 33 33 THR HA H 1 4.377 0.02 . 1 . . . . . 33 THR HA . 27991 1 258 . 1 . 1 33 33 THR HB H 1 4.169 0.02 . 1 . . . . . 33 THR HB . 27991 1 259 . 1 . 1 33 33 THR HG21 H 1 1.179 0.02 . 1 . . . . . 33 THR HG2 . 27991 1 260 . 1 . 1 33 33 THR HG22 H 1 1.179 0.02 . 1 . . . . . 33 THR HG2 . 27991 1 261 . 1 . 1 33 33 THR HG23 H 1 1.179 0.02 . 1 . . . . . 33 THR HG2 . 27991 1 262 . 1 . 1 33 33 THR C C 13 174.329 0.3 . 1 . . . . . 33 THR C . 27991 1 263 . 1 . 1 33 33 THR CA C 13 61.935 0.3 . 1 . . . . . 33 THR CA . 27991 1 264 . 1 . 1 33 33 THR CB C 13 69.914 0.3 . 1 . . . . . 33 THR CB . 27991 1 265 . 1 . 1 33 33 THR N N 15 118.812 0.3 . 1 . . . . . 33 THR N . 27991 1 266 . 1 . 1 34 34 ARG H H 1 8.422 0.02 . 1 . . . . . 34 ARG H . 27991 1 267 . 1 . 1 34 34 ARG HA H 1 4.445 0.02 . 1 . . . . . 34 ARG HA . 27991 1 268 . 1 . 1 34 34 ARG HB3 H 1 1.725 0.02 . 1 . . . . . 34 ARG HB3 . 27991 1 269 . 1 . 1 34 34 ARG HG3 H 1 1.504 0.02 . 1 . . . . . 34 ARG HG3 . 27991 1 270 . 1 . 1 34 34 ARG HD3 H 1 3.186 0.02 . 1 . . . . . 34 ARG HD3 . 27991 1 271 . 1 . 1 34 34 ARG C C 13 175.883 0.3 . 1 . . . . . 34 ARG C . 27991 1 272 . 1 . 1 34 34 ARG CA C 13 55.639 0.3 . 1 . . . . . 34 ARG CA . 27991 1 273 . 1 . 1 34 34 ARG CB C 13 31.104 0.3 . 1 . . . . . 34 ARG CB . 27991 1 274 . 1 . 1 34 34 ARG N N 15 123.789 0.3 . 1 . . . . . 34 ARG N . 27991 1 275 . 1 . 1 35 35 PHE H H 1 8.479 0.02 . 1 . . . . . 35 PHE H . 27991 1 276 . 1 . 1 35 35 PHE HA H 1 4.678 0.02 . 1 . . . . . 35 PHE HA . 27991 1 277 . 1 . 1 35 35 PHE HB2 H 1 3.207 0.02 . 2 . . . . . 35 PHE HB2 . 27991 1 278 . 1 . 1 35 35 PHE HB3 H 1 3.06 0.02 . 2 . . . . . 35 PHE HB3 . 27991 1 279 . 1 . 1 35 35 PHE C C 13 175.819 0.3 . 1 . . . . . 35 PHE C . 27991 1 280 . 1 . 1 35 35 PHE CA C 13 57.907 0.3 . 1 . . . . . 35 PHE CA . 27991 1 281 . 1 . 1 35 35 PHE CB C 13 39.803 0.3 . 1 . . . . . 35 PHE CB . 27991 1 282 . 1 . 1 35 35 PHE N N 15 122.294 0.3 . 1 . . . . . 35 PHE N . 27991 1 283 . 1 . 1 36 36 GLU H H 1 8.598 0.02 . 1 . . . . . 36 GLU H . 27991 1 284 . 1 . 1 36 36 GLU HA H 1 4.384 0.02 . 1 . . . . . 36 GLU HA . 27991 1 285 . 1 . 1 36 36 GLU HB3 H 1 1.998 0.02 . 1 . . . . . 36 GLU HB3 . 27991 1 286 . 1 . 1 36 36 GLU HG2 H 1 2.324 0.02 . 1 . . . . . 36 GLU HG2 . 27991 1 287 . 1 . 1 36 36 GLU C C 13 176.311 0.3 . 1 . . . . . 36 GLU C . 27991 1 288 . 1 . 1 36 36 GLU CA C 13 56.353 0.3 . 1 . . . . . 36 GLU CA . 27991 1 289 . 1 . 1 36 36 GLU CB C 13 30.732 0.3 . 1 . . . . . 36 GLU CB . 27991 1 290 . 1 . 1 36 36 GLU N N 15 122.939 0.3 . 1 . . . . . 36 GLU N . 27991 1 291 . 1 . 1 37 37 SER H H 1 8.44 0.02 . 1 . . . . . 37 SER H . 27991 1 292 . 1 . 1 37 37 SER HA H 1 4.5 0.02 . 1 . . . . . 37 SER HA . 27991 1 293 . 1 . 1 37 37 SER HB2 H 1 3.932 0.02 . 1 . . . . . 37 SER HB2 . 27991 1 294 . 1 . 1 37 37 SER C C 13 174.693 0.3 . 1 . . . . . 37 SER C . 27991 1 295 . 1 . 1 37 37 SER CA C 13 58.541 0.3 . 1 . . . . . 37 SER CA . 27991 1 296 . 1 . 1 37 37 SER CB C 13 64.041 0.3 . 1 . . . . . 37 SER CB . 27991 1 297 . 1 . 1 37 37 SER N N 15 117.341 0.3 . 1 . . . . . 37 SER N . 27991 1 298 . 1 . 1 38 38 LEU H H 1 8.4 0.02 . 1 . . . . . 38 LEU H . 27991 1 299 . 1 . 1 38 38 LEU HA H 1 4.416 0.02 . 1 . . . . . 38 LEU HA . 27991 1 300 . 1 . 1 38 38 LEU HB2 H 1 1.662 0.02 . 1 . . . . . 38 LEU HB2 . 27991 1 301 . 1 . 1 38 38 LEU HD11 H 1 0.968 0.02 . 1 . . . . . 38 LEU HD1 . 27991 1 302 . 1 . 1 38 38 LEU HD12 H 1 0.968 0.02 . 1 . . . . . 38 LEU HD1 . 27991 1 303 . 1 . 1 38 38 LEU HD13 H 1 0.968 0.02 . 1 . . . . . 38 LEU HD1 . 27991 1 304 . 1 . 1 38 38 LEU C C 13 177.168 0.3 . 1 . . . . . 38 LEU C . 27991 1 305 . 1 . 1 38 38 LEU CA C 13 55.179 0.3 . 1 . . . . . 38 LEU CA . 27991 1 306 . 1 . 1 38 38 LEU CB C 13 42.628 0.3 . 1 . . . . . 38 LEU CB . 27991 1 307 . 1 . 1 38 38 LEU N N 15 124.462 0.3 . 1 . . . . . 38 LEU N . 27991 1 308 . 1 . 1 39 39 LYS H H 1 8.526 0.02 . 1 . . . . . 39 LYS H . 27991 1 309 . 1 . 1 39 39 LYS HA H 1 4.352 0.02 . 1 . . . . . 39 LYS HA . 27991 1 310 . 1 . 1 39 39 LYS HB3 H 1 1.725 0.02 . 1 . . . . . 39 LYS HB3 . 27991 1 311 . 1 . 1 39 39 LYS HG2 H 1 1.441 0.02 . 1 . . . . . 39 LYS HG2 . 27991 1 312 . 1 . 1 39 39 LYS HE3 H 1 2.997 0.02 . 1 . . . . . 39 LYS HE3 . 27991 1 313 . 1 . 1 39 39 LYS C C 13 176.042 0.3 . 1 . . . . . 39 LYS C . 27991 1 314 . 1 . 1 39 39 LYS CA C 13 56.456 0.3 . 1 . . . . . 39 LYS CA . 27991 1 315 . 1 . 1 39 39 LYS CB C 13 33.037 0.3 . 1 . . . . . 39 LYS CB . 27991 1 316 . 1 . 1 39 39 LYS N N 15 123.45 0.3 . 1 . . . . . 39 LYS N . 27991 1 317 . 1 . 1 40 40 ILE H H 1 8.236 0.02 . 1 . . . . . 40 ILE H . 27991 1 318 . 1 . 1 40 40 ILE HA H 1 4.215 0.02 . 1 . . . . . 40 ILE HA . 27991 1 319 . 1 . 1 40 40 ILE HB H 1 1.82 0.02 . 1 . . . . . 40 ILE HB . 27991 1 320 . 1 . 1 40 40 ILE HG21 H 1 0.874 0.02 . 1 . . . . . 40 ILE HG2 . 27991 1 321 . 1 . 1 40 40 ILE HG22 H 1 0.874 0.02 . 1 . . . . . 40 ILE HG2 . 27991 1 322 . 1 . 1 40 40 ILE HG23 H 1 0.874 0.02 . 1 . . . . . 40 ILE HG2 . 27991 1 323 . 1 . 1 40 40 ILE C C 13 175.534 0.3 . 1 . . . . . 40 ILE C . 27991 1 324 . 1 . 1 40 40 ILE CA C 13 60.762 0.3 . 1 . . . . . 40 ILE CA . 27991 1 325 . 1 . 1 40 40 ILE CB C 13 38.985 0.3 . 1 . . . . . 40 ILE CB . 27991 1 326 . 1 . 1 40 40 ILE N N 15 122.504 0.3 . 1 . . . . . 40 ILE N . 27991 1 327 . 1 . 1 41 41 TYR H H 1 8.547 0.02 . 1 . . . . . 41 TYR H . 27991 1 328 . 1 . 1 41 41 TYR HA H 1 4.676 0.02 . 1 . . . . . 41 TYR HA . 27991 1 329 . 1 . 1 41 41 TYR HB2 H 1 3.112 0.02 . 2 . . . . . 41 TYR HB2 . 27991 1 330 . 1 . 1 41 41 TYR HB3 H 1 2.954 0.02 . 2 . . . . . 41 TYR HB3 . 27991 1 331 . 1 . 1 41 41 TYR C C 13 175.714 0.3 . 1 . . . . . 41 TYR C . 27991 1 332 . 1 . 1 41 41 TYR CA C 13 57.85 0.3 . 1 . . . . . 41 TYR CA . 27991 1 333 . 1 . 1 41 41 TYR CB C 13 39.027 0.3 . 1 . . . . . 41 TYR CB . 27991 1 334 . 1 . 1 41 41 TYR N N 15 125.509 0.3 . 1 . . . . . 41 TYR N . 27991 1 335 . 1 . 1 42 42 ARG H H 1 8.495 0.02 . 1 . . . . . 42 ARG H . 27991 1 336 . 1 . 1 42 42 ARG HA H 1 4.414 0.02 . 1 . . . . . 42 ARG HA . 27991 1 337 . 1 . 1 42 42 ARG HB2 H 1 1.809 0.02 . 1 . . . . . 42 ARG HB2 . 27991 1 338 . 1 . 1 42 42 ARG HG2 H 1 1.683 0.02 . 1 . . . . . 42 ARG HG2 . 27991 1 339 . 1 . 1 42 42 ARG HD3 H 1 3.217 0.02 . 1 . . . . . 42 ARG HD3 . 27991 1 340 . 1 . 1 42 42 ARG C C 13 175.747 0.3 . 1 . . . . . 42 ARG C . 27991 1 341 . 1 . 1 42 42 ARG CA C 13 55.906 0.3 . 1 . . . . . 42 ARG CA . 27991 1 342 . 1 . 1 42 42 ARG CB C 13 31.475 0.3 . 1 . . . . . 42 ARG CB . 27991 1 343 . 1 . 1 42 42 ARG N N 15 123.543 0.3 . 1 . . . . . 42 ARG N . 27991 1 344 . 1 . 1 43 43 ASP H H 1 8.512 0.02 . 1 . . . . . 43 ASP H . 27991 1 345 . 1 . 1 43 43 ASP HA H 1 4.688 0.02 . 1 . . . . . 43 ASP HA . 27991 1 346 . 1 . 1 43 43 ASP HB2 H 1 2.765 0.02 . 1 . . . . . 43 ASP HB2 . 27991 1 347 . 1 . 1 43 43 ASP C C 13 176.549 0.3 . 1 . . . . . 43 ASP C . 27991 1 348 . 1 . 1 43 43 ASP CA C 13 54.323 0.3 . 1 . . . . . 43 ASP CA . 27991 1 349 . 1 . 1 43 43 ASP CB C 13 41.661 0.3 . 1 . . . . . 43 ASP CB . 27991 1 350 . 1 . 1 43 43 ASP N N 15 121.972 0.3 . 1 . . . . . 43 ASP N . 27991 1 351 . 1 . 1 44 44 SER H H 1 8.451 0.02 . 1 . . . . . 44 SER H . 27991 1 352 . 1 . 1 44 44 SER HA H 1 4.507 0.02 . 1 . . . . . 44 SER HA . 27991 1 353 . 1 . 1 44 44 SER HB2 H 1 3.963 0.02 . 1 . . . . . 44 SER HB2 . 27991 1 354 . 1 . 1 44 44 SER C C 13 174.933 0.3 . 1 . . . . . 44 SER C . 27991 1 355 . 1 . 1 44 44 SER CA C 13 58.7 0.3 . 1 . . . . . 44 SER CA . 27991 1 356 . 1 . 1 44 44 SER CB C 13 63.743 0.3 . 1 . . . . . 44 SER CB . 27991 1 357 . 1 . 1 44 44 SER N N 15 116.142 0.3 . 1 . . . . . 44 SER N . 27991 1 358 . 1 . 1 45 45 LEU H H 1 8.418 0.02 . 1 . . . . . 45 LEU H . 27991 1 359 . 1 . 1 45 45 LEU HA H 1 4.415 0.02 . 1 . . . . . 45 LEU HA . 27991 1 360 . 1 . 1 45 45 LEU HB2 H 1 1.725 0.02 . 2 . . . . . 45 LEU HB2 . 27991 1 361 . 1 . 1 45 45 LEU HB3 H 1 1.557 0.02 . 2 . . . . . 45 LEU HB3 . 27991 1 362 . 1 . 1 45 45 LEU HD11 H 1 0.937 0.02 . 1 . . . . . 45 LEU HD1 . 27991 1 363 . 1 . 1 45 45 LEU HD12 H 1 0.937 0.02 . 1 . . . . . 45 LEU HD1 . 27991 1 364 . 1 . 1 45 45 LEU HD13 H 1 0.937 0.02 . 1 . . . . . 45 LEU HD1 . 27991 1 365 . 1 . 1 45 45 LEU C C 13 177.921 0.3 . 1 . . . . . 45 LEU C . 27991 1 366 . 1 . 1 45 45 LEU CA C 13 55.623 0.3 . 1 . . . . . 45 LEU CA . 27991 1 367 . 1 . 1 45 45 LEU CB C 13 42.479 0.3 . 1 . . . . . 45 LEU CB . 27991 1 368 . 1 . 1 45 45 LEU N N 15 123.846 0.3 . 1 . . . . . 45 LEU N . 27991 1 369 . 1 . 1 46 46 GLY H H 1 8.371 0.02 . 1 . . . . . 46 GLY H . 27991 1 370 . 1 . 1 46 46 GLY HA2 H 1 4.03 0.02 . 1 . . . . . 46 GLY HA2 . 27991 1 371 . 1 . 1 46 46 GLY C C 13 174.078 0.3 . 1 . . . . . 46 GLY C . 27991 1 372 . 1 . 1 46 46 GLY CA C 13 45.379 0.3 . 1 . . . . . 46 GLY CA . 27991 1 373 . 1 . 1 46 46 GLY N N 15 108.812 0.3 . 1 . . . . . 46 GLY N . 27991 1 374 . 1 . 1 47 47 GLU H H 1 8.368 0.02 . 1 . . . . . 47 GLU H . 27991 1 375 . 1 . 1 47 47 GLU HA H 1 4.426 0.02 . 1 . . . . . 47 GLU HA . 27991 1 376 . 1 . 1 47 47 GLU HB2 H 1 2.04 0.02 . 1 . . . . . 47 GLU HB2 . 27991 1 377 . 1 . 1 47 47 GLU HG2 H 1 2.345 0.02 . 1 . . . . . 47 GLU HG2 . 27991 1 378 . 1 . 1 47 47 GLU C C 13 176.902 0.3 . 1 . . . . . 47 GLU C . 27991 1 379 . 1 . 1 47 47 GLU CA C 13 56.575 0.3 . 1 . . . . . 47 GLU CA . 27991 1 380 . 1 . 1 47 47 GLU CB C 13 30.658 0.3 . 1 . . . . . 47 GLU CB . 27991 1 381 . 1 . 1 47 47 GLU N N 15 120.586 0.3 . 1 . . . . . 47 GLU N . 27991 1 382 . 1 . 1 48 48 THR H H 1 8.421 0.02 . 1 . . . . . 48 THR H . 27991 1 383 . 1 . 1 48 48 THR HA H 1 4.422 0.02 . 1 . . . . . 48 THR HA . 27991 1 384 . 1 . 1 48 48 THR HB H 1 4.242 0.02 . 1 . . . . . 48 THR HB . 27991 1 385 . 1 . 1 48 48 THR HG21 H 1 1.273 0.02 . 1 . . . . . 48 THR HG2 . 27991 1 386 . 1 . 1 48 48 THR HG22 H 1 1.273 0.02 . 1 . . . . . 48 THR HG2 . 27991 1 387 . 1 . 1 48 48 THR HG23 H 1 1.273 0.02 . 1 . . . . . 48 THR HG2 . 27991 1 388 . 1 . 1 48 48 THR C C 13 174.58 0.3 . 1 . . . . . 48 THR C . 27991 1 389 . 1 . 1 48 48 THR CA C 13 62.189 0.3 . 1 . . . . . 48 THR CA . 27991 1 390 . 1 . 1 48 48 THR CB C 13 69.914 0.3 . 1 . . . . . 48 THR CB . 27991 1 391 . 1 . 1 48 48 THR N N 15 115.868 0.3 . 1 . . . . . 48 THR N . 27991 1 392 . 1 . 1 49 49 VAL H H 1 8.274 0.02 . 1 . . . . . 49 VAL H . 27991 1 393 . 1 . 1 49 49 VAL HA H 1 4.194 0.02 . 1 . . . . . 49 VAL HA . 27991 1 394 . 1 . 1 49 49 VAL HB H 1 2.093 0.02 . 1 . . . . . 49 VAL HB . 27991 1 395 . 1 . 1 49 49 VAL HG11 H 1 0.989 0.02 . 1 . . . . . 49 VAL HG1 . 27991 1 396 . 1 . 1 49 49 VAL HG12 H 1 0.989 0.02 . 1 . . . . . 49 VAL HG1 . 27991 1 397 . 1 . 1 49 49 VAL HG13 H 1 0.989 0.02 . 1 . . . . . 49 VAL HG1 . 27991 1 398 . 1 . 1 49 49 VAL C C 13 176.033 0.3 . 1 . . . . . 49 VAL C . 27991 1 399 . 1 . 1 49 49 VAL CA C 13 62.355 0.3 . 1 . . . . . 49 VAL CA . 27991 1 400 . 1 . 1 49 49 VAL CB C 13 33.037 0.3 . 1 . . . . . 49 VAL CB . 27991 1 401 . 1 . 1 49 49 VAL N N 15 123.113 0.3 . 1 . . . . . 49 VAL N . 27991 1 402 . 1 . 1 50 50 MET H H 1 8.595 0.02 . 1 . . . . . 50 MET H . 27991 1 403 . 1 . 1 50 50 MET HA H 1 4.552 0.02 . 1 . . . . . 50 MET HA . 27991 1 404 . 1 . 1 50 50 MET HB2 H 1 2.051 0.02 . 1 . . . . . 50 MET HB2 . 27991 1 405 . 1 . 1 50 50 MET HG2 H 1 2.597 0.02 . 1 . . . . . 50 MET HG2 . 27991 1 406 . 1 . 1 50 50 MET C C 13 176.072 0.3 . 1 . . . . . 50 MET C . 27991 1 407 . 1 . 1 50 50 MET CA C 13 55.433 0.3 . 1 . . . . . 50 MET CA . 27991 1 408 . 1 . 1 50 50 MET CB C 13 33.07 0.3 . 1 . . . . . 50 MET CB . 27991 1 409 . 1 . 1 50 50 MET N N 15 124.879 0.3 . 1 . . . . . 50 MET N . 27991 1 410 . 1 . 1 51 51 ARG H H 1 8.659 0.02 . 1 . . . . . 51 ARG H . 27991 1 411 . 1 . 1 51 51 ARG HA H 1 4.447 0.02 . 1 . . . . . 51 ARG HA . 27991 1 412 . 1 . 1 51 51 ARG HB3 H 1 1.862 0.02 . 1 . . . . . 51 ARG HB3 . 27991 1 413 . 1 . 1 51 51 ARG HG2 H 1 1.694 0.02 . 1 . . . . . 51 ARG HG2 . 27991 1 414 . 1 . 1 51 51 ARG HD3 H 1 3.238 0.02 . 1 . . . . . 51 ARG HD3 . 27991 1 415 . 1 . 1 51 51 ARG C C 13 176.406 0.3 . 1 . . . . . 51 ARG C . 27991 1 416 . 1 . 1 51 51 ARG CA C 13 56.034 0.3 . 1 . . . . . 51 ARG CA . 27991 1 417 . 1 . 1 51 51 ARG CB C 13 30.955 0.3 . 1 . . . . . 51 ARG CB . 27991 1 418 . 1 . 1 51 51 ARG N N 15 123.686 0.3 . 1 . . . . . 51 ARG N . 27991 1 419 . 1 . 1 52 52 MET H H 1 8.687 0.02 . 1 . . . . . 52 MET H . 27991 1 420 . 1 . 1 52 52 MET HA H 1 4.533 0.02 . 1 . . . . . 52 MET HA . 27991 1 421 . 1 . 1 52 52 MET HB2 H 1 2.072 0.02 . 1 . . . . . 52 MET HB2 . 27991 1 422 . 1 . 1 52 52 MET HG2 H 1 2.639 0.02 . 1 . . . . . 52 MET HG2 . 27991 1 423 . 1 . 1 52 52 MET C C 13 176.803 0.3 . 1 . . . . . 52 MET C . 27991 1 424 . 1 . 1 52 52 MET CA C 13 55.655 0.3 . 1 . . . . . 52 MET CA . 27991 1 425 . 1 . 1 52 52 MET CB C 13 33.111 0.3 . 1 . . . . . 52 MET CB . 27991 1 426 . 1 . 1 52 52 MET N N 15 122.562 0.3 . 1 . . . . . 52 MET N . 27991 1 427 . 1 . 1 53 53 GLY H H 1 8.537 0.02 . 1 . . . . . 53 GLY H . 27991 1 428 . 1 . 1 53 53 GLY HA2 H 1 4.039 0.02 . 1 . . . . . 53 GLY HA2 . 27991 1 429 . 1 . 1 53 53 GLY C C 13 173.759 0.3 . 1 . . . . . 53 GLY C . 27991 1 430 . 1 . 1 53 53 GLY CA C 13 45.257 0.3 . 1 . . . . . 53 GLY CA . 27991 1 431 . 1 . 1 53 53 GLY N N 15 109.987 0.3 . 1 . . . . . 53 GLY N . 27991 1 432 . 1 . 1 54 54 ASP H H 1 8.324 0.02 . 1 . . . . . 54 ASP H . 27991 1 433 . 1 . 1 54 54 ASP HA H 1 4.702 0.02 . 1 . . . . . 54 ASP HA . 27991 1 434 . 1 . 1 54 54 ASP HB2 H 1 2.713 0.02 . 1 . . . . . 54 ASP HB2 . 27991 1 435 . 1 . 1 54 54 ASP C C 13 176.56 0.3 . 1 . . . . . 54 ASP C . 27991 1 436 . 1 . 1 54 54 ASP CA C 13 54.439 0.3 . 1 . . . . . 54 ASP CA . 27991 1 437 . 1 . 1 54 54 ASP CB C 13 41.81 0.3 . 1 . . . . . 54 ASP CB . 27991 1 438 . 1 . 1 54 54 ASP N N 15 120.453 0.3 . 1 . . . . . 54 ASP N . 27991 1 439 . 1 . 1 55 55 LEU H H 1 8.321 0.02 . 1 . . . . . 55 LEU H . 27991 1 440 . 1 . 1 55 55 LEU HA H 1 4.152 0.02 . 1 . . . . . 55 LEU HA . 27991 1 441 . 1 . 1 55 55 LEU HD11 H 1 0.958 0.02 . 1 . . . . . 55 LEU HD1 . 27991 1 442 . 1 . 1 55 55 LEU HD12 H 1 0.958 0.02 . 1 . . . . . 55 LEU HD1 . 27991 1 443 . 1 . 1 55 55 LEU HD13 H 1 0.958 0.02 . 1 . . . . . 55 LEU HD1 . 27991 1 444 . 1 . 1 55 55 LEU C C 13 177.348 0.3 . 1 . . . . . 55 LEU C . 27991 1 445 . 1 . 1 55 55 LEU CA C 13 55.497 0.3 . 1 . . . . . 55 LEU CA . 27991 1 446 . 1 . 1 55 55 LEU CB C 13 41.513 0.3 . 1 . . . . . 55 LEU CB . 27991 1 447 . 1 . 1 55 55 LEU N N 15 122.039 0.3 . 1 . . . . . 55 LEU N . 27991 1 448 . 1 . 1 56 56 HIS H H 1 8.427 0.02 . 1 . . . . . 56 HIS H . 27991 1 449 . 1 . 1 56 56 HIS HA H 1 4.699 0.02 . 1 . . . . . 56 HIS HA . 27991 1 450 . 1 . 1 56 56 HIS C C 13 175.599 0.3 . 1 . . . . . 56 HIS C . 27991 1 451 . 1 . 1 56 56 HIS CA C 13 56.68 0.3 . 1 . . . . . 56 HIS CA . 27991 1 452 . 1 . 1 56 56 HIS CB C 13 30.955 0.3 . 1 . . . . . 56 HIS CB . 27991 1 453 . 1 . 1 56 56 HIS N N 15 120.239 0.3 . 1 . . . . . 56 HIS N . 27991 1 454 . 1 . 1 57 57 TYR H H 1 8.077 0.02 . 1 . . . . . 57 TYR H . 27991 1 455 . 1 . 1 57 57 TYR HA H 1 4.583 0.02 . 1 . . . . . 57 TYR HA . 27991 1 456 . 1 . 1 57 57 TYR HB2 H 1 3.049 0.02 . 1 . . . . . 57 TYR HB2 . 27991 1 457 . 1 . 1 57 57 TYR C C 13 175.68 0.3 . 1 . . . . . 57 TYR C . 27991 1 458 . 1 . 1 57 57 TYR CA C 13 58.088 0.3 . 1 . . . . . 57 TYR CA . 27991 1 459 . 1 . 1 57 57 TYR CB C 13 38.836 0.3 . 1 . . . . . 57 TYR CB . 27991 1 460 . 1 . 1 57 57 TYR N N 15 121.08 0.3 . 1 . . . . . 57 TYR N . 27991 1 461 . 1 . 1 58 58 LEU H H 1 8.313 0.02 . 1 . . . . . 58 LEU H . 27991 1 462 . 1 . 1 58 58 LEU HA H 1 4.405 0.02 . 1 . . . . . 58 LEU HA . 27991 1 463 . 1 . 1 58 58 LEU HB2 H 1 1.62 0.02 . 1 . . . . . 58 LEU HB2 . 27991 1 464 . 1 . 1 58 58 LEU HD11 H 1 0.926 0.02 . 1 . . . . . 58 LEU HD1 . 27991 1 465 . 1 . 1 58 58 LEU HD12 H 1 0.926 0.02 . 1 . . . . . 58 LEU HD1 . 27991 1 466 . 1 . 1 58 58 LEU HD13 H 1 0.926 0.02 . 1 . . . . . 58 LEU HD1 . 27991 1 467 . 1 . 1 58 58 LEU C C 13 177.166 0.3 . 1 . . . . . 58 LEU C . 27991 1 468 . 1 . 1 58 58 LEU CA C 13 55.092 0.3 . 1 . . . . . 58 LEU CA . 27991 1 469 . 1 . 1 58 58 LEU CB C 13 42.479 0.3 . 1 . . . . . 58 LEU CB . 27991 1 470 . 1 . 1 58 58 LEU N N 15 123.895 0.3 . 1 . . . . . 58 LEU N . 27991 1 471 . 1 . 1 59 59 GLN H H 1 8.445 0.02 . 1 . . . . . 59 GLN H . 27991 1 472 . 1 . 1 59 59 GLN HA H 1 4.39 0.02 . 1 . . . . . 59 GLN HA . 27991 1 473 . 1 . 1 59 59 GLN HB2 H 1 2.051 0.02 . 1 . . . . . 59 GLN HB2 . 27991 1 474 . 1 . 1 59 59 GLN HG2 H 1 2.44 0.02 . 1 . . . . . 59 GLN HG2 . 27991 1 475 . 1 . 1 59 59 GLN C C 13 176.357 0.3 . 1 . . . . . 59 GLN C . 27991 1 476 . 1 . 1 59 59 GLN CA C 13 55.707 0.3 . 1 . . . . . 59 GLN CA . 27991 1 477 . 1 . 1 59 59 GLN CB C 13 29.564 0.3 . 1 . . . . . 59 GLN CB . 27991 1 478 . 1 . 1 59 59 GLN N N 15 121.438 0.3 . 1 . . . . . 59 GLN N . 27991 1 479 . 1 . 1 60 60 SER H H 1 8.477 0.02 . 1 . . . . . 60 SER H . 27991 1 480 . 1 . 1 60 60 SER HA H 1 4.51 0.02 . 1 . . . . . 60 SER HA . 27991 1 481 . 1 . 1 60 60 SER HB2 H 1 3.953 0.02 . 1 . . . . . 60 SER HB2 . 27991 1 482 . 1 . 1 60 60 SER C C 13 175.973 0.3 . 1 . . . . . 60 SER C . 27991 1 483 . 1 . 1 60 60 SER CA C 13 58.446 0.3 . 1 . . . . . 60 SER CA . 27991 1 484 . 1 . 1 60 60 SER CB C 13 64.041 0.3 . 1 . . . . . 60 SER CB . 27991 1 485 . 1 . 1 60 60 SER N N 15 117.374 0.3 . 1 . . . . . 60 SER N . 27991 1 486 . 1 . 1 61 61 ARG H H 1 8.542 0.02 . 1 . . . . . 61 ARG H . 27991 1 487 . 1 . 1 61 61 ARG HA H 1 4.363 0.02 . 1 . . . . . 61 ARG HA . 27991 1 488 . 1 . 1 61 61 ARG HB2 H 1 1.725 0.02 . 1 . . . . . 61 ARG HB2 . 27991 1 489 . 1 . 1 61 61 ARG HG3 H 1 1.504 0.02 . 1 . . . . . 61 ARG HG3 . 27991 1 490 . 1 . 1 61 61 ARG C C 13 175.761 0.3 . 1 . . . . . 61 ARG C . 27991 1 491 . 1 . 1 61 61 ARG CA C 13 56.337 0.3 . 1 . . . . . 61 ARG CA . 27991 1 492 . 1 . 1 61 61 ARG CB C 13 30.732 0.3 . 1 . . . . . 61 ARG CB . 27991 1 493 . 1 . 1 61 61 ARG N N 15 123.314 0.3 . 1 . . . . . 61 ARG N . 27991 1 494 . 1 . 1 62 62 ASN H H 1 8.548 0.02 . 1 . . . . . 62 ASN H . 27991 1 495 . 1 . 1 62 62 ASN HA H 1 4.384 0.02 . 1 . . . . . 62 ASN HA . 27991 1 496 . 1 . 1 62 62 ASN HB2 H 1 2.744 0.02 . 2 . . . . . 62 ASN HB2 . 27991 1 497 . 1 . 1 62 62 ASN HB3 H 1 2.618 0.02 . 2 . . . . . 62 ASN HB3 . 27991 1 498 . 1 . 1 62 62 ASN C C 13 176.206 0.3 . 1 . . . . . 62 ASN C . 27991 1 499 . 1 . 1 62 62 ASN CA C 13 55.75 0.3 . 1 . . . . . 62 ASN CA . 27991 1 500 . 1 . 1 62 62 ASN CB C 13 39.741 0.3 . 1 . . . . . 62 ASN CB . 27991 1 501 . 1 . 1 62 62 ASN N N 15 123.017 0.3 . 1 . . . . . 62 ASN N . 27991 1 502 . 1 . 1 63 63 GLU H H 1 8.483 0.02 . 1 . . . . . 63 GLU H . 27991 1 503 . 1 . 1 63 63 GLU HA H 1 4.342 0.02 . 1 . . . . . 63 GLU HA . 27991 1 504 . 1 . 1 63 63 GLU HB2 H 1 2.093 0.02 . 2 . . . . . 63 GLU HB2 . 27991 1 505 . 1 . 1 63 63 GLU HB3 H 1 1.977 0.02 . 2 . . . . . 63 GLU HB3 . 27991 1 506 . 1 . 1 63 63 GLU HG2 H 1 2.324 0.02 . 1 . . . . . 63 GLU HG2 . 27991 1 507 . 1 . 1 63 63 GLU C C 13 175.801 0.3 . 1 . . . . . 63 GLU C . 27991 1 508 . 1 . 1 63 63 GLU CA C 13 57.195 0.3 . 1 . . . . . 63 GLU CA . 27991 1 509 . 1 . 1 63 63 GLU CB C 13 30.381 0.3 . 1 . . . . . 63 GLU CB . 27991 1 510 . 1 . 1 63 63 GLU N N 15 122.428 0.3 . 1 . . . . . 63 GLU N . 27991 1 511 . 1 . 1 64 64 LYS H H 1 8.32 0.02 . 1 . . . . . 64 LYS H . 27991 1 512 . 1 . 1 64 64 LYS HA H 1 4.317 0.02 . 1 . . . . . 64 LYS HA . 27991 1 513 . 1 . 1 64 64 LYS HD2 H 1 1.609 0.02 . 2 . . . . . 64 LYS HD2 . 27991 1 514 . 1 . 1 64 64 LYS HD3 H 1 1.494 0.02 . 2 . . . . . 64 LYS HD3 . 27991 1 515 . 1 . 1 64 64 LYS C C 13 176.62 0.3 . 1 . . . . . 64 LYS C . 27991 1 516 . 1 . 1 64 64 LYS CA C 13 57.195 0.3 . 1 . . . . . 64 LYS CA . 27991 1 517 . 1 . 1 64 64 LYS CB C 13 33.185 0.3 . 1 . . . . . 64 LYS CB . 27991 1 518 . 1 . 1 64 64 LYS N N 15 122.231 0.3 . 1 . . . . . 64 LYS N . 27991 1 519 . 1 . 1 65 65 TRP H H 1 8.185 0.02 . 1 . . . . . 65 TRP H . 27991 1 520 . 1 . 1 65 65 TRP HA H 1 4.676 0.02 . 1 . . . . . 65 TRP HA . 27991 1 521 . 1 . 1 65 65 TRP HB2 H 1 3.333 0.02 . 1 . . . . . 65 TRP HB2 . 27991 1 522 . 1 . 1 65 65 TRP C C 13 176.297 0.3 . 1 . . . . . 65 TRP C . 27991 1 523 . 1 . 1 65 65 TRP CA C 13 57.27 0.3 . 1 . . . . . 65 TRP CA . 27991 1 524 . 1 . 1 65 65 TRP CB C 13 29.468 0.3 . 1 . . . . . 65 TRP CB . 27991 1 525 . 1 . 1 65 65 TRP N N 15 121.729 0.3 . 1 . . . . . 65 TRP N . 27991 1 526 . 1 . 1 66 66 ARG H H 1 8.092 0.02 . 1 . . . . . 66 ARG H . 27991 1 527 . 1 . 1 66 66 ARG HA H 1 4.234 0.02 . 1 . . . . . 66 ARG HA . 27991 1 528 . 1 . 1 66 66 ARG HB3 H 1 1.767 0.02 . 1 . . . . . 66 ARG HB3 . 27991 1 529 . 1 . 1 66 66 ARG HG2 H 1 1.609 0.02 . 2 . . . . . 66 ARG HG2 . 27991 1 530 . 1 . 1 66 66 ARG HG3 H 1 1.42 0.02 . 2 . . . . . 66 ARG HG3 . 27991 1 531 . 1 . 1 66 66 ARG HD3 H 1 3.142 0.02 . 1 . . . . . 66 ARG HD3 . 27991 1 532 . 1 . 1 66 66 ARG C C 13 175.953 0.3 . 1 . . . . . 66 ARG C . 27991 1 533 . 1 . 1 66 66 ARG CA C 13 56.027 0.3 . 1 . . . . . 66 ARG CA . 27991 1 534 . 1 . 1 66 66 ARG CB C 13 31.199 0.3 . 1 . . . . . 66 ARG CB . 27991 1 535 . 1 . 1 66 66 ARG N N 15 123.125 0.3 . 1 . . . . . 66 ARG N . 27991 1 536 . 1 . 1 67 67 GLU H H 1 8.462 0.02 . 1 . . . . . 67 GLU H . 27991 1 537 . 1 . 1 67 67 GLU HA H 1 4.325 0.02 . 1 . . . . . 67 GLU HA . 27991 1 538 . 1 . 1 67 67 GLU HB2 H 1 1.998 0.02 . 1 . . . . . 67 GLU HB2 . 27991 1 539 . 1 . 1 67 67 GLU HG2 H 1 2.366 0.02 . 1 . . . . . 67 GLU HG2 . 27991 1 540 . 1 . 1 67 67 GLU C C 13 176.347 0.3 . 1 . . . . . 67 GLU C . 27991 1 541 . 1 . 1 67 67 GLU CA C 13 56.026 0.3 . 1 . . . . . 67 GLU CA . 27991 1 542 . 1 . 1 67 67 GLU CB C 13 29.506 0.3 . 1 . . . . . 67 GLU CB . 27991 1 543 . 1 . 1 67 67 GLU N N 15 122.812 0.3 . 1 . . . . . 67 GLU N . 27991 1 544 . 1 . 1 68 68 GLN H H 1 8.534 0.02 . 1 . . . . . 68 GLN H . 27991 1 545 . 1 . 1 68 68 GLN HA H 1 4.26 0.02 . 1 . . . . . 68 GLN HA . 27991 1 546 . 1 . 1 68 68 GLN HB3 H 1 1.872 0.02 . 1 . . . . . 68 GLN HB3 . 27991 1 547 . 1 . 1 68 68 GLN C C 13 175.892 0.3 . 1 . . . . . 68 GLN C . 27991 1 548 . 1 . 1 68 68 GLN CA C 13 56.036 0.3 . 1 . . . . . 68 GLN CA . 27991 1 549 . 1 . 1 68 68 GLN CB C 13 29.41 0.3 . 1 . . . . . 68 GLN CB . 27991 1 550 . 1 . 1 68 68 GLN N N 15 121.799 0.3 . 1 . . . . . 68 GLN N . 27991 1 551 . 1 . 1 69 69 LEU H H 1 8.409 0.02 . 1 . . . . . 69 LEU H . 27991 1 552 . 1 . 1 69 69 LEU HA H 1 4.367 0.02 . 1 . . . . . 69 LEU HA . 27991 1 553 . 1 . 1 69 69 LEU HB2 H 1 1.662 0.02 . 1 . . . . . 69 LEU HB2 . 27991 1 554 . 1 . 1 69 69 LEU HD11 H 1 0.937 0.02 . 1 . . . . . 69 LEU HD1 . 27991 1 555 . 1 . 1 69 69 LEU HD12 H 1 0.937 0.02 . 1 . . . . . 69 LEU HD1 . 27991 1 556 . 1 . 1 69 69 LEU HD13 H 1 0.937 0.02 . 1 . . . . . 69 LEU HD1 . 27991 1 557 . 1 . 1 69 69 LEU C C 13 177.945 0.3 . 1 . . . . . 69 LEU C . 27991 1 558 . 1 . 1 69 69 LEU CA C 13 55.275 0.3 . 1 . . . . . 69 LEU CA . 27991 1 559 . 1 . 1 69 69 LEU CB C 13 42.554 0.3 . 1 . . . . . 69 LEU CB . 27991 1 560 . 1 . 1 69 69 LEU N N 15 123.902 0.3 . 1 . . . . . 69 LEU N . 27991 1 561 . 1 . 1 70 70 GLY H H 1 8.503 0.02 . 1 . . . . . 70 GLY H . 27991 1 562 . 1 . 1 70 70 GLY HA2 H 1 4.03 0.02 . 1 . . . . . 70 GLY HA2 . 27991 1 563 . 1 . 1 70 70 GLY C C 13 174.022 0.3 . 1 . . . . . 70 GLY C . 27991 1 564 . 1 . 1 70 70 GLY CA C 13 45.22 0.3 . 1 . . . . . 70 GLY CA . 27991 1 565 . 1 . 1 70 70 GLY N N 15 109.434 0.3 . 1 . . . . . 70 GLY N . 27991 1 566 . 1 . 1 71 71 GLN H H 1 8.342 0.02 . 1 . . . . . 71 GLN H . 27991 1 567 . 1 . 1 71 71 GLN HA H 1 4.338 0.02 . 1 . . . . . 71 GLN HA . 27991 1 568 . 1 . 1 71 71 GLN HB2 H 1 1.988 0.02 . 1 . . . . . 71 GLN HB2 . 27991 1 569 . 1 . 1 71 71 GLN HG2 H 1 2.345 0.02 . 1 . . . . . 71 GLN HG2 . 27991 1 570 . 1 . 1 71 71 GLN C C 13 175.993 0.3 . 1 . . . . . 71 GLN C . 27991 1 571 . 1 . 1 71 71 GLN CA C 13 55.877 0.3 . 1 . . . . . 71 GLN CA . 27991 1 572 . 1 . 1 71 71 GLN CB C 13 29.988 0.3 . 1 . . . . . 71 GLN CB . 27991 1 573 . 1 . 1 71 71 GLN N N 15 120.062 0.3 . 1 . . . . . 71 GLN N . 27991 1 574 . 1 . 1 72 72 LYS H H 1 8.509 0.02 . 1 . . . . . 72 LYS H . 27991 1 575 . 1 . 1 72 72 LYS HA H 1 4.365 0.02 . 1 . . . . . 72 LYS HA . 27991 1 576 . 1 . 1 72 72 LYS HB2 H 1 1.746 0.02 . 1 . . . . . 72 LYS HB2 . 27991 1 577 . 1 . 1 72 72 LYS HG2 H 1 1.42 0.02 . 1 . . . . . 72 LYS HG2 . 27991 1 578 . 1 . 1 72 72 LYS HE3 H 1 3.007 0.02 . 1 . . . . . 72 LYS HE3 . 27991 1 579 . 1 . 1 72 72 LYS C C 13 176.307 0.3 . 1 . . . . . 72 LYS C . 27991 1 580 . 1 . 1 72 72 LYS CA C 13 56.407 0.3 . 1 . . . . . 72 LYS CA . 27991 1 581 . 1 . 1 72 72 LYS CB C 13 33.334 0.3 . 1 . . . . . 72 LYS CB . 27991 1 582 . 1 . 1 72 72 LYS N N 15 123.057 0.3 . 1 . . . . . 72 LYS N . 27991 1 583 . 1 . 1 73 73 PHE H H 1 8.531 0.02 . 1 . . . . . 73 PHE H . 27991 1 584 . 1 . 1 73 73 PHE HA H 1 4.342 0.02 . 1 . . . . . 73 PHE HA . 27991 1 585 . 1 . 1 73 73 PHE C C 13 175.832 0.3 . 1 . . . . . 73 PHE C . 27991 1 586 . 1 . 1 73 73 PHE CA C 13 57.737 0.3 . 1 . . . . . 73 PHE CA . 27991 1 587 . 1 . 1 73 73 PHE CB C 13 39.822 0.3 . 1 . . . . . 73 PHE CB . 27991 1 588 . 1 . 1 73 73 PHE N N 15 122.404 0.3 . 1 . . . . . 73 PHE N . 27991 1 589 . 1 . 1 74 74 GLU H H 1 8.393 0.02 . 1 . . . . . 74 GLU H . 27991 1 590 . 1 . 1 74 74 GLU HA H 1 4.312 0.02 . 1 . . . . . 74 GLU HA . 27991 1 591 . 1 . 1 74 74 GLU HB3 H 1 1.988 0.02 . 1 . . . . . 74 GLU HB3 . 27991 1 592 . 1 . 1 74 74 GLU HG2 H 1 2.282 0.02 . 1 . . . . . 74 GLU HG2 . 27991 1 593 . 1 . 1 74 74 GLU C C 13 176.641 0.3 . 1 . . . . . 74 GLU C . 27991 1 594 . 1 . 1 74 74 GLU CA C 13 56.68 0.3 . 1 . . . . . 74 GLU CA . 27991 1 595 . 1 . 1 74 74 GLU CB C 13 30.486 0.3 . 1 . . . . . 74 GLU CB . 27991 1 596 . 1 . 1 74 74 GLU N N 15 121.942 0.3 . 1 . . . . . 74 GLU N . 27991 1 597 . 1 . 1 75 75 GLU H H 1 8.504 0.02 . 1 . . . . . 75 GLU H . 27991 1 598 . 1 . 1 75 75 GLU HA H 1 4.31 0.02 . 1 . . . . . 75 GLU HA . 27991 1 599 . 1 . 1 75 75 GLU HB2 H 1 2.009 0.02 . 1 . . . . . 75 GLU HB2 . 27991 1 600 . 1 . 1 75 75 GLU HG3 H 1 2.324 0.02 . 1 . . . . . 75 GLU HG3 . 27991 1 601 . 1 . 1 75 75 GLU C C 13 176.357 0.3 . 1 . . . . . 75 GLU C . 27991 1 602 . 1 . 1 75 75 GLU CA C 13 56.548 0.3 . 1 . . . . . 75 GLU CA . 27991 1 603 . 1 . 1 75 75 GLU CB C 13 30.604 0.3 . 1 . . . . . 75 GLU CB . 27991 1 604 . 1 . 1 75 75 GLU N N 15 122.142 0.3 . 1 . . . . . 75 GLU N . 27991 1 605 . 1 . 1 76 76 ILE H H 1 8.363 0.02 . 1 . . . . . 76 ILE H . 27991 1 606 . 1 . 1 76 76 ILE HA H 1 4.079 0.02 . 1 . . . . . 76 ILE HA . 27991 1 607 . 1 . 1 76 76 ILE HB H 1 1.746 0.02 . 1 . . . . . 76 ILE HB . 27991 1 608 . 1 . 1 76 76 ILE HD11 H 1 0.643 0.02 . 1 . . . . . 76 ILE HD1 . 27991 1 609 . 1 . 1 76 76 ILE HD12 H 1 0.643 0.02 . 1 . . . . . 76 ILE HD1 . 27991 1 610 . 1 . 1 76 76 ILE HD13 H 1 0.643 0.02 . 1 . . . . . 76 ILE HD1 . 27991 1 611 . 1 . 1 76 76 ILE C C 13 176.186 0.3 . 1 . . . . . 76 ILE C . 27991 1 612 . 1 . 1 76 76 ILE CA C 13 61.141 0.3 . 1 . . . . . 76 ILE CA . 27991 1 613 . 1 . 1 76 76 ILE CB C 13 38.613 0.3 . 1 . . . . . 76 ILE CB . 27991 1 614 . 1 . 1 76 76 ILE N N 15 123.225 0.3 . 1 . . . . . 76 ILE N . 27991 1 615 . 1 . 1 77 77 ARG H H 1 8.453 0.02 . 1 . . . . . 77 ARG H . 27991 1 616 . 1 . 1 77 77 ARG HA H 1 4.355 0.02 . 1 . . . . . 77 ARG HA . 27991 1 617 . 1 . 1 77 77 ARG HB3 H 1 1.725 0.02 . 1 . . . . . 77 ARG HB3 . 27991 1 618 . 1 . 1 77 77 ARG HG3 H 1 1.431 0.02 . 1 . . . . . 77 ARG HG3 . 27991 1 619 . 1 . 1 77 77 ARG C C 13 175.872 0.3 . 1 . . . . . 77 ARG C . 27991 1 620 . 1 . 1 77 77 ARG CA C 13 56.066 0.3 . 1 . . . . . 77 ARG CA . 27991 1 621 . 1 . 1 77 77 ARG CB C 13 30.881 0.3 . 1 . . . . . 77 ARG CB . 27991 1 622 . 1 . 1 77 77 ARG N N 15 125.775 0.3 . 1 . . . . . 77 ARG N . 27991 1 623 . 1 . 1 78 78 TRP H H 1 8.256 0.02 . 1 . . . . . 78 TRP H . 27991 1 624 . 1 . 1 78 78 TRP HA H 1 4.72 0.02 . 1 . . . . . 78 TRP HA . 27991 1 625 . 1 . 1 78 78 TRP HB2 H 1 3.27 0.02 . 2 . . . . . 78 TRP HB2 . 27991 1 626 . 1 . 1 78 78 TRP HB3 H 1 3.06 0.02 . 2 . . . . . 78 TRP HB3 . 27991 1 627 . 1 . 1 78 78 TRP C C 13 176.084 0.3 . 1 . . . . . 78 TRP C . 27991 1 628 . 1 . 1 78 78 TRP CA C 13 56.771 0.3 . 1 . . . . . 78 TRP CA . 27991 1 629 . 1 . 1 78 78 TRP CB C 13 29.935 0.3 . 1 . . . . . 78 TRP CB . 27991 1 630 . 1 . 1 78 78 TRP N N 15 122.701 0.3 . 1 . . . . . 78 TRP N . 27991 1 631 . 1 . 1 79 79 LEU H H 1 8.444 0.02 . 1 . . . . . 79 LEU H . 27991 1 632 . 1 . 1 79 79 LEU HA H 1 4.426 0.02 . 1 . . . . . 79 LEU HA . 27991 1 633 . 1 . 1 79 79 LEU HB2 H 1 1.672 0.02 . 1 . . . . . 79 LEU HB2 . 27991 1 634 . 1 . 1 79 79 LEU C C 13 176.519 0.3 . 1 . . . . . 79 LEU C . 27991 1 635 . 1 . 1 79 79 LEU CA C 13 55.193 0.3 . 1 . . . . . 79 LEU CA . 27991 1 636 . 1 . 1 79 79 LEU CB C 13 42.628 0.3 . 1 . . . . . 79 LEU CB . 27991 1 637 . 1 . 1 79 79 LEU N N 15 124.112 0.3 . 1 . . . . . 79 LEU N . 27991 1 638 . 1 . 1 80 80 ILE H H 1 8.357 0.02 . 1 . . . . . 80 ILE H . 27991 1 639 . 1 . 1 80 80 ILE HA H 1 4.258 0.02 . 1 . . . . . 80 ILE HA . 27991 1 640 . 1 . 1 80 80 ILE HB H 1 1.862 0.02 . 1 . . . . . 80 ILE HB . 27991 1 641 . 1 . 1 80 80 ILE HG21 H 1 0.863 0.02 . 1 . . . . . 80 ILE HG2 . 27991 1 642 . 1 . 1 80 80 ILE HG22 H 1 0.863 0.02 . 1 . . . . . 80 ILE HG2 . 27991 1 643 . 1 . 1 80 80 ILE HG23 H 1 0.863 0.02 . 1 . . . . . 80 ILE HG2 . 27991 1 644 . 1 . 1 80 80 ILE C C 13 176.034 0.3 . 1 . . . . . 80 ILE C . 27991 1 645 . 1 . 1 80 80 ILE CA C 13 57.907 0.3 . 1 . . . . . 80 ILE CA . 27991 1 646 . 1 . 1 80 80 ILE CB C 13 38.613 0.3 . 1 . . . . . 80 ILE CB . 27991 1 647 . 1 . 1 80 80 ILE N N 15 122.487 0.3 . 1 . . . . . 80 ILE N . 27991 1 648 . 1 . 1 81 81 GLU H H 1 8.639 0.02 . 1 . . . . . 81 GLU H . 27991 1 649 . 1 . 1 81 81 GLU HA H 1 4.533 0.02 . 1 . . . . . 81 GLU HA . 27991 1 650 . 1 . 1 81 81 GLU HB2 H 1 2.05 0.02 . 1 . . . . . 81 GLU HB2 . 27991 1 651 . 1 . 1 81 81 GLU HG2 H 1 2.597 0.02 . 1 . . . . . 81 GLU HG2 . 27991 1 652 . 1 . 1 81 81 GLU C C 13 176.55 0.3 . 1 . . . . . 81 GLU C . 27991 1 653 . 1 . 1 81 81 GLU CA C 13 56.903 0.3 . 1 . . . . . 81 GLU CA . 27991 1 654 . 1 . 1 81 81 GLU CB C 13 30.435 0.3 . 1 . . . . . 81 GLU CB . 27991 1 655 . 1 . 1 81 81 GLU N N 15 124.907 0.3 . 1 . . . . . 81 GLU N . 27991 1 656 . 1 . 1 82 82 GLU H H 1 8.439 0.02 . 1 . . . . . 82 GLU H . 27991 1 657 . 1 . 1 82 82 GLU HA H 1 4.31 0.02 . 1 . . . . . 82 GLU HA . 27991 1 658 . 1 . 1 82 82 GLU HB2 H 1 2.04 0.02 . 1 . . . . . 82 GLU HB2 . 27991 1 659 . 1 . 1 82 82 GLU HG2 H 1 2.429 0.02 . 1 . . . . . 82 GLU HG2 . 27991 1 660 . 1 . 1 82 82 GLU C C 13 175.902 0.3 . 1 . . . . . 82 GLU C . 27991 1 661 . 1 . 1 82 82 GLU CA C 13 55.936 0.3 . 1 . . . . . 82 GLU CA . 27991 1 662 . 1 . 1 82 82 GLU CB C 13 29.592 0.3 . 1 . . . . . 82 GLU CB . 27991 1 663 . 1 . 1 82 82 GLU N N 15 122.081 0.3 . 1 . . . . . 82 GLU N . 27991 1 664 . 1 . 1 83 83 MET H H 1 8.487 0.02 . 1 . . . . . 83 MET H . 27991 1 665 . 1 . 1 83 83 MET HA H 1 4.384 0.02 . 1 . . . . . 83 MET HA . 27991 1 666 . 1 . 1 83 83 MET HB2 H 1 2.408 0.02 . 2 . . . . . 83 MET HB2 . 27991 1 667 . 1 . 1 83 83 MET HB3 H 1 2.061 0.02 . 2 . . . . . 83 MET HB3 . 27991 1 668 . 1 . 1 83 83 MET C C 13 176.58 0.3 . 1 . . . . . 83 MET C . 27991 1 669 . 1 . 1 83 83 MET CA C 13 55.839 0.3 . 1 . . . . . 83 MET CA . 27991 1 670 . 1 . 1 83 83 MET CB C 13 33.264 0.3 . 1 . . . . . 83 MET CB . 27991 1 671 . 1 . 1 83 83 MET N N 15 121.294 0.3 . 1 . . . . . 83 MET N . 27991 1 672 . 1 . 1 84 84 ARG H H 1 8.571 0.02 . 1 . . . . . 84 ARG H . 27991 1 673 . 1 . 1 84 84 ARG HA H 1 4.405 0.02 . 1 . . . . . 84 ARG HA . 27991 1 674 . 1 . 1 84 84 ARG C C 13 175.983 0.3 . 1 . . . . . 84 ARG C . 27991 1 675 . 1 . 1 84 84 ARG CA C 13 56.039 0.3 . 1 . . . . . 84 ARG CA . 27991 1 676 . 1 . 1 84 84 ARG CB C 13 30.411 0.3 . 1 . . . . . 84 ARG CB . 27991 1 677 . 1 . 1 84 84 ARG N N 15 122.256 0.3 . 1 . . . . . 84 ARG N . 27991 1 678 . 1 . 1 85 85 HIS H H 1 8.54 0.02 . 1 . . . . . 85 HIS H . 27991 1 679 . 1 . 1 85 85 HIS HA H 1 4.573 0.02 . 1 . . . . . 85 HIS HA . 27991 1 680 . 1 . 1 85 85 HIS C C 13 175.973 0.3 . 1 . . . . . 85 HIS C . 27991 1 681 . 1 . 1 85 85 HIS CA C 13 56.307 0.3 . 1 . . . . . 85 HIS CA . 27991 1 682 . 1 . 1 85 85 HIS CB C 13 29.804 0.3 . 1 . . . . . 85 HIS CB . 27991 1 683 . 1 . 1 85 85 HIS N N 15 121.682 0.3 . 1 . . . . . 85 HIS N . 27991 1 684 . 1 . 1 86 86 ARG H H 1 8.482 0.02 . 1 . . . . . 86 ARG H . 27991 1 685 . 1 . 1 86 86 ARG HA H 1 4.331 0.02 . 1 . . . . . 86 ARG HA . 27991 1 686 . 1 . 1 86 86 ARG HB3 H 1 1.736 0.02 . 1 . . . . . 86 ARG HB3 . 27991 1 687 . 1 . 1 86 86 ARG HG3 H 1 1.378 0.02 . 1 . . . . . 86 ARG HG3 . 27991 1 688 . 1 . 1 86 86 ARG C C 13 177.025 0.3 . 1 . . . . . 86 ARG C . 27991 1 689 . 1 . 1 86 86 ARG CA C 13 56.188 0.3 . 1 . . . . . 86 ARG CA . 27991 1 690 . 1 . 1 86 86 ARG CB C 13 30.692 0.3 . 1 . . . . . 86 ARG CB . 27991 1 691 . 1 . 1 86 86 ARG N N 15 122.857 0.3 . 1 . . . . . 86 ARG N . 27991 1 692 . 1 . 1 87 87 LEU H H 1 8.47 0.02 . 1 . . . . . 87 LEU H . 27991 1 693 . 1 . 1 87 87 LEU HA H 1 4.436 0.02 . 1 . . . . . 87 LEU HA . 27991 1 694 . 1 . 1 87 87 LEU HB2 H 1 1.662 0.02 . 1 . . . . . 87 LEU HB2 . 27991 1 695 . 1 . 1 87 87 LEU HD11 H 1 0.947 0.02 . 1 . . . . . 87 LEU HD1 . 27991 1 696 . 1 . 1 87 87 LEU HD12 H 1 0.947 0.02 . 1 . . . . . 87 LEU HD1 . 27991 1 697 . 1 . 1 87 87 LEU HD13 H 1 0.947 0.02 . 1 . . . . . 87 LEU HD1 . 27991 1 698 . 1 . 1 87 87 LEU C C 13 177.358 0.3 . 1 . . . . . 87 LEU C . 27991 1 699 . 1 . 1 87 87 LEU CA C 13 54.916 0.3 . 1 . . . . . 87 LEU CA . 27991 1 700 . 1 . 1 87 87 LEU CB C 13 42.573 0.3 . 1 . . . . . 87 LEU CB . 27991 1 701 . 1 . 1 87 87 LEU N N 15 123.842 0.3 . 1 . . . . . 87 LEU N . 27991 1 702 . 1 . 1 88 88 LYS H H 1 8.726 0.02 . 1 . . . . . 88 LYS H . 27991 1 703 . 1 . 1 88 88 LYS HA H 1 4.635 0.02 . 1 . . . . . 88 LYS HA . 27991 1 704 . 1 . 1 88 88 LYS HB2 H 1 1.799 0.02 . 1 . . . . . 88 LYS HB2 . 27991 1 705 . 1 . 1 88 88 LYS HD2 H 1 1.546 0.02 . 1 . . . . . 88 LYS HD2 . 27991 1 706 . 1 . 1 88 88 LYS HE3 H 1 3.039 0.02 . 1 . . . . . 88 LYS HE3 . 27991 1 707 . 1 . 1 88 88 LYS C C 13 174.901 0.3 . 1 . . . . . 88 LYS C . 27991 1 708 . 1 . 1 88 88 LYS CA C 13 54.48 0.3 . 1 . . . . . 88 LYS CA . 27991 1 709 . 1 . 1 88 88 LYS CB C 13 32.516 0.3 . 1 . . . . . 88 LYS CB . 27991 1 710 . 1 . 1 88 88 LYS N N 15 123.981 0.3 . 1 . . . . . 88 LYS N . 27991 1 711 . 1 . 1 90 90 THR H H 1 8.24 0.02 . 1 . . . . . 90 THR H . 27991 1 712 . 1 . 1 90 90 THR HA H 1 4.403 0.02 . 1 . . . . . 90 THR HA . 27991 1 713 . 1 . 1 90 90 THR HG21 H 1 1.283 0.02 . 1 . . . . . 90 THR HG2 . 27991 1 714 . 1 . 1 90 90 THR HG22 H 1 1.283 0.02 . 1 . . . . . 90 THR HG2 . 27991 1 715 . 1 . 1 90 90 THR HG23 H 1 1.283 0.02 . 1 . . . . . 90 THR HG2 . 27991 1 716 . 1 . 1 90 90 THR C C 13 174.881 0.3 . 1 . . . . . 90 THR C . 27991 1 717 . 1 . 1 90 90 THR CA C 13 62.062 0.3 . 1 . . . . . 90 THR CA . 27991 1 718 . 1 . 1 90 90 THR CB C 13 70.137 0.3 . 1 . . . . . 90 THR CB . 27991 1 719 . 1 . 1 90 90 THR N N 15 113.4 0.3 . 1 . . . . . 90 THR N . 27991 1 720 . 1 . 1 91 91 GLU H H 1 8.533 0.02 . 1 . . . . . 91 GLU H . 27991 1 721 . 1 . 1 91 91 GLU HA H 1 4.373 0.02 . 1 . . . . . 91 GLU HA . 27991 1 722 . 1 . 1 91 91 GLU HB2 H 1 2.019 0.02 . 1 . . . . . 91 GLU HB2 . 27991 1 723 . 1 . 1 91 91 GLU HG2 H 1 2.324 0.02 . 1 . . . . . 91 GLU HG2 . 27991 1 724 . 1 . 1 91 91 GLU C C 13 176.186 0.3 . 1 . . . . . 91 GLU C . 27991 1 725 . 1 . 1 91 91 GLU CA C 13 56.512 0.3 . 1 . . . . . 91 GLU CA . 27991 1 726 . 1 . 1 91 91 GLU CB C 13 30.583 0.3 . 1 . . . . . 91 GLU CB . 27991 1 727 . 1 . 1 91 91 GLU N N 15 122.78 0.3 . 1 . . . . . 91 GLU N . 27991 1 728 . 1 . 1 92 92 ASN H H 1 8.574 0.02 . 1 . . . . . 92 ASN H . 27991 1 729 . 1 . 1 92 92 ASN HA H 1 4.783 0.02 . 1 . . . . . 92 ASN HA . 27991 1 730 . 1 . 1 92 92 ASN HB3 H 1 2.786 0.02 . 1 . . . . . 92 ASN HB3 . 27991 1 731 . 1 . 1 92 92 ASN C C 13 175.336 0.3 . 1 . . . . . 92 ASN C . 27991 1 732 . 1 . 1 92 92 ASN CA C 13 53.245 0.3 . 1 . . . . . 92 ASN CA . 27991 1 733 . 1 . 1 92 92 ASN CB C 13 39.059 0.3 . 1 . . . . . 92 ASN CB . 27991 1 734 . 1 . 1 92 92 ASN N N 15 119.808 0.3 . 1 . . . . . 92 ASN N . 27991 1 735 . 1 . 1 93 93 SER H H 1 8.399 0.02 . 1 . . . . . 93 SER H . 27991 1 736 . 1 . 1 93 93 SER HA H 1 4.468 0.02 . 1 . . . . . 93 SER HA . 27991 1 737 . 1 . 1 93 93 SER HB2 H 1 3.89 0.02 . 1 . . . . . 93 SER HB2 . 27991 1 738 . 1 . 1 93 93 SER C C 13 176.539 0.3 . 1 . . . . . 93 SER C . 27991 1 739 . 1 . 1 93 93 SER CA C 13 58.637 0.3 . 1 . . . . . 93 SER CA . 27991 1 740 . 1 . 1 93 93 SER CB C 13 63.966 0.3 . 1 . . . . . 93 SER CB . 27991 1 741 . 1 . 1 93 93 SER N N 15 116.392 0.3 . 1 . . . . . 93 SER N . 27991 1 742 . 1 . 1 94 94 PHE H H 1 8.352 0.02 . 1 . . . . . 94 PHE H . 27991 1 743 . 1 . 1 94 94 PHE HA H 1 4.676 0.02 . 1 . . . . . 94 PHE HA . 27991 1 744 . 1 . 1 94 94 PHE HB2 H 1 3.217 0.02 . 2 . . . . . 94 PHE HB2 . 27991 1 745 . 1 . 1 94 94 PHE HB3 H 1 3.081 0.02 . 2 . . . . . 94 PHE HB3 . 27991 1 746 . 1 . 1 94 94 PHE C C 13 175.761 0.3 . 1 . . . . . 94 PHE C . 27991 1 747 . 1 . 1 94 94 PHE CA C 13 58.225 0.3 . 1 . . . . . 94 PHE CA . 27991 1 748 . 1 . 1 94 94 PHE CB C 13 39.505 0.3 . 1 . . . . . 94 PHE CB . 27991 1 749 . 1 . 1 94 94 PHE N N 15 121.756 0.3 . 1 . . . . . 94 PHE N . 27991 1 750 . 1 . 1 95 95 GLU H H 1 8.387 0.02 . 1 . . . . . 95 GLU H . 27991 1 751 . 1 . 1 95 95 GLU HA H 1 4.175 0.02 . 1 . . . . . 95 GLU HA . 27991 1 752 . 1 . 1 95 95 GLU HB2 H 1 2.005 0.02 . 1 . . . . . 95 GLU HB2 . 27991 1 753 . 1 . 1 95 95 GLU HG2 H 1 2.313 0.02 . 1 . . . . . 95 GLU HG2 . 27991 1 754 . 1 . 1 95 95 GLU C C 13 176.216 0.3 . 1 . . . . . 95 GLU C . 27991 1 755 . 1 . 1 95 95 GLU CA C 13 56.662 0.3 . 1 . . . . . 95 GLU CA . 27991 1 756 . 1 . 1 95 95 GLU CB C 13 30.583 0.3 . 1 . . . . . 95 GLU CB . 27991 1 757 . 1 . 1 95 95 GLU N N 15 122.138 0.3 . 1 . . . . . 95 GLU N . 27991 1 758 . 1 . 1 96 96 GLN H H 1 8.443 0.02 . 1 . . . . . 96 GLN H . 27991 1 759 . 1 . 1 96 96 GLN HA H 1 4.377 0.02 . 1 . . . . . 96 GLN HA . 27991 1 760 . 1 . 1 96 96 GLN HB2 H 1 2.061 0.02 . 1 . . . . . 96 GLN HB2 . 27991 1 761 . 1 . 1 96 96 GLN HG2 H 1 2.398 0.02 . 1 . . . . . 96 GLN HG2 . 27991 1 762 . 1 . 1 96 96 GLN C C 13 175.892 0.3 . 1 . . . . . 96 GLN C . 27991 1 763 . 1 . 1 96 96 GLN CA C 13 55.972 0.3 . 1 . . . . . 96 GLN CA . 27991 1 764 . 1 . 1 96 96 GLN CB C 13 29.414 0.3 . 1 . . . . . 96 GLN CB . 27991 1 765 . 1 . 1 96 96 GLN N N 15 121.902 0.3 . 1 . . . . . 96 GLN N . 27991 1 766 . 1 . 1 97 97 ILE H H 1 8.375 0.02 . 1 . . . . . 97 ILE H . 27991 1 767 . 1 . 1 97 97 ILE HA H 1 4.268 0.02 . 1 . . . . . 97 ILE HA . 27991 1 768 . 1 . 1 97 97 ILE HB H 1 1.862 0.02 . 1 . . . . . 97 ILE HB . 27991 1 769 . 1 . 1 97 97 ILE HG21 H 1 0.874 0.02 . 1 . . . . . 97 ILE HG2 . 27991 1 770 . 1 . 1 97 97 ILE HG22 H 1 0.874 0.02 . 1 . . . . . 97 ILE HG2 . 27991 1 771 . 1 . 1 97 97 ILE HG23 H 1 0.874 0.02 . 1 . . . . . 97 ILE HG2 . 27991 1 772 . 1 . 1 97 97 ILE C C 13 176.347 0.3 . 1 . . . . . 97 ILE C . 27991 1 773 . 1 . 1 97 97 ILE CA C 13 61.237 0.3 . 1 . . . . . 97 ILE CA . 27991 1 774 . 1 . 1 97 97 ILE CB C 13 38.91 0.3 . 1 . . . . . 97 ILE CB . 27991 1 775 . 1 . 1 97 97 ILE N N 15 122.768 0.3 . 1 . . . . . 97 ILE N . 27991 1 776 . 1 . 1 98 98 THR H H 1 8.293 0.02 . 1 . . . . . 98 THR H . 27991 1 777 . 1 . 1 98 98 THR HA H 1 4.403 0.02 . 1 . . . . . 98 THR HA . 27991 1 778 . 1 . 1 98 98 THR HB H 1 4.184 0.02 . 1 . . . . . 98 THR HB . 27991 1 779 . 1 . 1 98 98 THR HG21 H 1 1.21 0.02 . 1 . . . . . 98 THR HG2 . 27991 1 780 . 1 . 1 98 98 THR HG22 H 1 1.21 0.02 . 1 . . . . . 98 THR HG2 . 27991 1 781 . 1 . 1 98 98 THR HG23 H 1 1.21 0.02 . 1 . . . . . 98 THR HG2 . 27991 1 782 . 1 . 1 98 98 THR C C 13 174.244 0.3 . 1 . . . . . 98 THR C . 27991 1 783 . 1 . 1 98 98 THR CA C 13 61.621 0.3 . 1 . . . . . 98 THR CA . 27991 1 784 . 1 . 1 98 98 THR CB C 13 70.137 0.3 . 1 . . . . . 98 THR CB . 27991 1 785 . 1 . 1 98 98 THR N N 15 118.421 0.3 . 1 . . . . . 98 THR N . 27991 1 786 . 1 . 1 99 99 PHE H H 1 8.438 0.02 . 1 . . . . . 99 PHE H . 27991 1 787 . 1 . 1 99 99 PHE HA H 1 4.688 0.02 . 1 . . . . . 99 PHE HA . 27991 1 788 . 1 . 1 99 99 PHE HB2 H 1 3.129 0.02 . 1 . . . . . 99 PHE HB2 . 27991 1 789 . 1 . 1 99 99 PHE C C 13 175.68 0.3 . 1 . . . . . 99 PHE C . 27991 1 790 . 1 . 1 99 99 PHE CA C 13 57.929 0.3 . 1 . . . . . 99 PHE CA . 27991 1 791 . 1 . 1 99 99 PHE CB C 13 39.951 0.3 . 1 . . . . . 99 PHE CB . 27991 1 792 . 1 . 1 99 99 PHE N N 15 123.165 0.3 . 1 . . . . . 99 PHE N . 27991 1 793 . 1 . 1 100 100 MET H H 1 8.431 0.02 . 1 . . . . . 100 MET H . 27991 1 794 . 1 . 1 100 100 MET HA H 1 4.424 0.02 . 1 . . . . . 100 MET HA . 27991 1 795 . 1 . 1 100 100 MET HB2 H 1 2.051 0.02 . 1 . . . . . 100 MET HB2 . 27991 1 796 . 1 . 1 100 100 MET HG3 H 1 2.44 0.02 . 1 . . . . . 100 MET HG3 . 27991 1 797 . 1 . 1 100 100 MET C C 13 176.347 0.3 . 1 . . . . . 100 MET C . 27991 1 798 . 1 . 1 100 100 MET CA C 13 55.639 0.3 . 1 . . . . . 100 MET CA . 27991 1 799 . 1 . 1 100 100 MET CB C 13 33.037 0.3 . 1 . . . . . 100 MET CB . 27991 1 800 . 1 . 1 100 100 MET N N 15 121.482 0.3 . 1 . . . . . 100 MET N . 27991 1 801 . 1 . 1 101 101 GLN H H 1 8.488 0.02 . 1 . . . . . 101 GLN H . 27991 1 802 . 1 . 1 101 101 GLN HA H 1 4.312 0.02 . 1 . . . . . 101 GLN HA . 27991 1 803 . 1 . 1 101 101 GLN HB2 H 1 2.009 0.02 . 1 . . . . . 101 GLN HB2 . 27991 1 804 . 1 . 1 101 101 GLN HG3 H 1 2.313 0.02 . 1 . . . . . 101 GLN HG3 . 27991 1 805 . 1 . 1 101 101 GLN C C 13 175.832 0.3 . 1 . . . . . 101 GLN C . 27991 1 806 . 1 . 1 101 101 GLN CA C 13 56.041 0.3 . 1 . . . . . 101 GLN CA . 27991 1 807 . 1 . 1 101 101 GLN CB C 13 29.644 0.3 . 1 . . . . . 101 GLN CB . 27991 1 808 . 1 . 1 101 101 GLN N N 15 122.197 0.3 . 1 . . . . . 101 GLN N . 27991 1 809 . 1 . 1 102 102 ALA H H 1 8.47 0.02 . 1 . . . . . 102 ALA H . 27991 1 810 . 1 . 1 102 102 ALA HA H 1 4.355 0.02 . 1 . . . . . 102 ALA HA . 27991 1 811 . 1 . 1 102 102 ALA HB1 H 1 1.439 0.02 . 1 . . . . . 102 ALA HB . 27991 1 812 . 1 . 1 102 102 ALA HB2 H 1 1.439 0.02 . 1 . . . . . 102 ALA HB . 27991 1 813 . 1 . 1 102 102 ALA HB3 H 1 1.439 0.02 . 1 . . . . . 102 ALA HB . 27991 1 814 . 1 . 1 102 102 ALA C C 13 177.692 0.3 . 1 . . . . . 102 ALA C . 27991 1 815 . 1 . 1 102 102 ALA CA C 13 52.579 0.3 . 1 . . . . . 102 ALA CA . 27991 1 816 . 1 . 1 102 102 ALA CB C 13 19.059 0.3 . 1 . . . . . 102 ALA CB . 27991 1 817 . 1 . 1 102 102 ALA N N 15 125.525 0.3 . 1 . . . . . 102 ALA N . 27991 1 818 . 1 . 1 103 103 LEU H H 1 8.305 0.02 . 1 . . . . . 103 LEU H . 27991 1 819 . 1 . 1 103 103 LEU HA H 1 4.364 0.02 . 1 . . . . . 103 LEU HA . 27991 1 820 . 1 . 1 103 103 LEU HB2 H 1 1.651 0.02 . 1 . . . . . 103 LEU HB2 . 27991 1 821 . 1 . 1 103 103 LEU HD11 H 1 0.947 0.02 . 1 . . . . . 103 LEU HD1 . 27991 1 822 . 1 . 1 103 103 LEU HD12 H 1 0.947 0.02 . 1 . . . . . 103 LEU HD1 . 27991 1 823 . 1 . 1 103 103 LEU HD13 H 1 0.947 0.02 . 1 . . . . . 103 LEU HD1 . 27991 1 824 . 1 . 1 103 103 LEU C C 13 177.409 0.3 . 1 . . . . . 103 LEU C . 27991 1 825 . 1 . 1 103 103 LEU CA C 13 55.275 0.3 . 1 . . . . . 103 LEU CA . 27991 1 826 . 1 . 1 103 103 LEU CB C 13 42.554 0.3 . 1 . . . . . 103 LEU CB . 27991 1 827 . 1 . 1 103 103 LEU N N 15 121.834 0.3 . 1 . . . . . 103 LEU N . 27991 1 828 . 1 . 1 104 104 GLN H H 1 8.565 0.02 . 1 . . . . . 104 GLN H . 27991 1 829 . 1 . 1 104 104 GLN HA H 1 4.342 0.02 . 1 . . . . . 104 GLN HA . 27991 1 830 . 1 . 1 104 104 GLN HB2 H 1 2.061 0.02 . 2 . . . . . 104 GLN HB2 . 27991 1 831 . 1 . 1 104 104 GLN HB3 H 1 1.935 0.02 . 2 . . . . . 104 GLN HB3 . 27991 1 832 . 1 . 1 104 104 GLN HG2 H 1 2.335 0.02 . 1 . . . . . 104 GLN HG2 . 27991 1 833 . 1 . 1 104 104 GLN C C 13 175.811 0.3 . 1 . . . . . 104 GLN C . 27991 1 834 . 1 . 1 104 104 GLN CA C 13 55.788 0.3 . 1 . . . . . 104 GLN CA . 27991 1 835 . 1 . 1 104 104 GLN CB C 13 29.415 0.3 . 1 . . . . . 104 GLN CB . 27991 1 836 . 1 . 1 104 104 GLN N N 15 121.766 0.3 . 1 . . . . . 104 GLN N . 27991 1 837 . 1 . 1 105 105 LEU H H 1 8.395 0.02 . 1 . . . . . 105 LEU H . 27991 1 838 . 1 . 1 105 105 LEU HA H 1 4.405 0.02 . 1 . . . . . 105 LEU HA . 27991 1 839 . 1 . 1 105 105 LEU HB2 H 1 1.62 0.02 . 1 . . . . . 105 LEU HB2 . 27991 1 840 . 1 . 1 105 105 LEU HD11 H 1 0.947 0.02 . 1 . . . . . 105 LEU HD1 . 27991 1 841 . 1 . 1 105 105 LEU HD12 H 1 0.947 0.02 . 1 . . . . . 105 LEU HD1 . 27991 1 842 . 1 . 1 105 105 LEU HD13 H 1 0.947 0.02 . 1 . . . . . 105 LEU HD1 . 27991 1 843 . 1 . 1 105 105 LEU C C 13 176.994 0.3 . 1 . . . . . 105 LEU C . 27991 1 844 . 1 . 1 105 105 LEU CA C 13 55.148 0.3 . 1 . . . . . 105 LEU CA . 27991 1 845 . 1 . 1 105 105 LEU CB C 13 42.554 0.3 . 1 . . . . . 105 LEU CB . 27991 1 846 . 1 . 1 105 105 LEU N N 15 124.128 0.3 . 1 . . . . . 105 LEU N . 27991 1 847 . 1 . 1 106 106 LEU H H 1 8.503 0.02 . 1 . . . . . 106 LEU H . 27991 1 848 . 1 . 1 106 106 LEU HA H 1 4.405 0.02 . 1 . . . . . 106 LEU HA . 27991 1 849 . 1 . 1 106 106 LEU HB2 H 1 1.662 0.02 . 1 . . . . . 106 LEU HB2 . 27991 1 850 . 1 . 1 106 106 LEU HD11 H 1 0.947 0.02 . 1 . . . . . 106 LEU HD1 . 27991 1 851 . 1 . 1 106 106 LEU HD12 H 1 0.947 0.02 . 1 . . . . . 106 LEU HD1 . 27991 1 852 . 1 . 1 106 106 LEU HD13 H 1 0.947 0.02 . 1 . . . . . 106 LEU HD1 . 27991 1 853 . 1 . 1 106 106 LEU C C 13 176.135 0.3 . 1 . . . . . 106 LEU C . 27991 1 854 . 1 . 1 106 106 LEU CA C 13 54.989 0.3 . 1 . . . . . 106 LEU CA . 27991 1 855 . 1 . 1 106 106 LEU CB C 13 42.422 0.3 . 1 . . . . . 106 LEU CB . 27991 1 856 . 1 . 1 106 106 LEU N N 15 124.061 0.3 . 1 . . . . . 106 LEU N . 27991 1 857 . 1 . 1 107 107 LEU H H 1 8.465 0.02 . 1 . . . . . 107 LEU H . 27991 1 858 . 1 . 1 107 107 LEU HA H 1 4.447 0.02 . 1 . . . . . 107 LEU HA . 27991 1 859 . 1 . 1 107 107 LEU HB2 H 1 1.662 0.02 . 1 . . . . . 107 LEU HB2 . 27991 1 860 . 1 . 1 107 107 LEU HD11 H 1 0.947 0.02 . 1 . . . . . 107 LEU HD1 . 27991 1 861 . 1 . 1 107 107 LEU HD12 H 1 0.947 0.02 . 1 . . . . . 107 LEU HD1 . 27991 1 862 . 1 . 1 107 107 LEU HD13 H 1 0.947 0.02 . 1 . . . . . 107 LEU HD1 . 27991 1 863 . 1 . 1 107 107 LEU C C 13 177.379 0.3 . 1 . . . . . 107 LEU C . 27991 1 864 . 1 . 1 107 107 LEU CA C 13 55.021 0.3 . 1 . . . . . 107 LEU CA . 27991 1 865 . 1 . 1 107 107 LEU CB C 13 42.575 0.3 . 1 . . . . . 107 LEU CB . 27991 1 866 . 1 . 1 107 107 LEU N N 15 123.876 0.3 . 1 . . . . . 107 LEU N . 27991 1 867 . 1 . 1 108 108 GLU H H 1 8.615 0.02 . 1 . . . . . 108 GLU H . 27991 1 868 . 1 . 1 108 108 GLU HA H 1 4.455 0.02 . 1 . . . . . 108 GLU HA . 27991 1 869 . 1 . 1 108 108 GLU HB2 H 1 2.037 0.02 . 1 . . . . . 108 GLU HB2 . 27991 1 870 . 1 . 1 108 108 GLU HG2 H 1 2.419 0.02 . 1 . . . . . 108 GLU HG2 . 27991 1 871 . 1 . 1 108 108 GLU C C 13 176.641 0.3 . 1 . . . . . 108 GLU C . 27991 1 872 . 1 . 1 108 108 GLU CA C 13 56.465 0.3 . 1 . . . . . 108 GLU CA . 27991 1 873 . 1 . 1 108 108 GLU CB C 13 30.435 0.3 . 1 . . . . . 108 GLU CB . 27991 1 874 . 1 . 1 108 108 GLU N N 15 122.207 0.3 . 1 . . . . . 108 GLU N . 27991 1 875 . 1 . 1 109 109 VAL H H 1 8.237 0.02 . 1 . . . . . 109 VAL H . 27991 1 876 . 1 . 1 109 109 VAL HA H 1 4.194 0.02 . 1 . . . . . 109 VAL HA . 27991 1 877 . 1 . 1 109 109 VAL HB H 1 2.145 0.02 . 1 . . . . . 109 VAL HB . 27991 1 878 . 1 . 1 109 109 VAL HG11 H 1 1.01 0.02 . 1 . . . . . 109 VAL HG1 . 27991 1 879 . 1 . 1 109 109 VAL HG12 H 1 1.01 0.02 . 1 . . . . . 109 VAL HG1 . 27991 1 880 . 1 . 1 109 109 VAL HG13 H 1 1.01 0.02 . 1 . . . . . 109 VAL HG1 . 27991 1 881 . 1 . 1 109 109 VAL C C 13 176.246 0.3 . 1 . . . . . 109 VAL C . 27991 1 882 . 1 . 1 109 109 VAL CA C 13 62.474 0.3 . 1 . . . . . 109 VAL CA . 27991 1 883 . 1 . 1 109 109 VAL CB C 13 33.037 0.3 . 1 . . . . . 109 VAL CB . 27991 1 884 . 1 . 1 109 109 VAL N N 15 120.541 0.3 . 1 . . . . . 109 VAL N . 27991 1 885 . 1 . 1 110 110 GLU H H 1 8.601 0.02 . 1 . . . . . 110 GLU H . 27991 1 886 . 1 . 1 110 110 GLU HA H 1 4.338 0.02 . 1 . . . . . 110 GLU HA . 27991 1 887 . 1 . 1 110 110 GLU HB2 H 1 2.076 0.02 . 1 . . . . . 110 GLU HB2 . 27991 1 888 . 1 . 1 110 110 GLU HG2 H 1 2.345 0.02 . 1 . . . . . 110 GLU HG2 . 27991 1 889 . 1 . 1 110 110 GLU C C 13 176.57 0.3 . 1 . . . . . 110 GLU C . 27991 1 890 . 1 . 1 110 110 GLU CA C 13 56.777 0.3 . 1 . . . . . 110 GLU CA . 27991 1 891 . 1 . 1 110 110 GLU CB C 13 30.211 0.3 . 1 . . . . . 110 GLU CB . 27991 1 892 . 1 . 1 110 110 GLU N N 15 124.405 0.3 . 1 . . . . . 110 GLU N . 27991 1 893 . 1 . 1 111 111 GLN H H 1 8.487 0.02 . 1 . . . . . 111 GLN H . 27991 1 894 . 1 . 1 111 111 GLN HA H 1 4.384 0.02 . 1 . . . . . 111 GLN HA . 27991 1 895 . 1 . 1 111 111 GLN HB2 H 1 2.04 0.02 . 1 . . . . . 111 GLN HB2 . 27991 1 896 . 1 . 1 111 111 GLN HG2 H 1 2.44 0.02 . 1 . . . . . 111 GLN HG2 . 27991 1 897 . 1 . 1 111 111 GLN C C 13 175.923 0.3 . 1 . . . . . 111 GLN C . 27991 1 898 . 1 . 1 111 111 GLN CA C 13 55.9 0.3 . 1 . . . . . 111 GLN CA . 27991 1 899 . 1 . 1 111 111 GLN CB C 13 29.972 0.3 . 1 . . . . . 111 GLN CB . 27991 1 900 . 1 . 1 111 111 GLN N N 15 121.445 0.3 . 1 . . . . . 111 GLN N . 27991 1 901 . 1 . 1 112 112 GLU H H 1 8.553 0.02 . 1 . . . . . 112 GLU H . 27991 1 902 . 1 . 1 112 112 GLU HA H 1 4.342 0.02 . 1 . . . . . 112 GLU HA . 27991 1 903 . 1 . 1 112 112 GLU HB3 H 1 2.019 0.02 . 1 . . . . . 112 GLU HB3 . 27991 1 904 . 1 . 1 112 112 GLU HG2 H 1 2.313 0.02 . 1 . . . . . 112 GLU HG2 . 27991 1 905 . 1 . 1 112 112 GLU C C 13 176.317 0.3 . 1 . . . . . 112 GLU C . 27991 1 906 . 1 . 1 112 112 GLU CA C 13 56.56 0.3 . 1 . . . . . 112 GLU CA . 27991 1 907 . 1 . 1 112 112 GLU CB C 13 30.411 0.3 . 1 . . . . . 112 GLU CB . 27991 1 908 . 1 . 1 112 112 GLU N N 15 122.647 0.3 . 1 . . . . . 112 GLU N . 27991 1 909 . 1 . 1 113 113 ILE H H 1 8.422 0.02 . 1 . . . . . 113 ILE H . 27991 1 910 . 1 . 1 113 113 ILE HA H 1 4.215 0.02 . 1 . . . . . 113 ILE HA . 27991 1 911 . 1 . 1 113 113 ILE HB H 1 1.883 0.02 . 1 . . . . . 113 ILE HB . 27991 1 912 . 1 . 1 113 113 ILE HG13 H 1 1.231 0.02 . 1 . . . . . 113 ILE HG13 . 27991 1 913 . 1 . 1 113 113 ILE HG21 H 1 0.916 0.02 . 1 . . . . . 113 ILE HG2 . 27991 1 914 . 1 . 1 113 113 ILE HG22 H 1 0.916 0.02 . 1 . . . . . 113 ILE HG2 . 27991 1 915 . 1 . 1 113 113 ILE HG23 H 1 0.916 0.02 . 1 . . . . . 113 ILE HG2 . 27991 1 916 . 1 . 1 113 113 ILE C C 13 176.279 0.3 . 1 . . . . . 113 ILE C . 27991 1 917 . 1 . 1 113 113 ILE CA C 13 61.123 0.3 . 1 . . . . . 113 ILE CA . 27991 1 918 . 1 . 1 113 113 ILE CB C 13 38.539 0.3 . 1 . . . . . 113 ILE CB . 27991 1 919 . 1 . 1 113 113 ILE N N 15 123.312 0.3 . 1 . . . . . 113 ILE N . 27991 1 920 . 1 . 1 114 114 ARG H H 1 8.613 0.02 . 1 . . . . . 114 ARG H . 27991 1 921 . 1 . 1 114 114 ARG HA H 1 4.494 0.02 . 1 . . . . . 114 ARG HA . 27991 1 922 . 1 . 1 114 114 ARG HB3 H 1 1.767 0.02 . 1 . . . . . 114 ARG HB3 . 27991 1 923 . 1 . 1 114 114 ARG HG2 H 1 1.621 0.02 . 1 . . . . . 114 ARG HG2 . 27991 1 924 . 1 . 1 114 114 ARG HD2 H 1 3.196 0.02 . 1 . . . . . 114 ARG HD2 . 27991 1 925 . 1 . 1 114 114 ARG C C 13 176.243 0.3 . 1 . . . . . 114 ARG C . 27991 1 926 . 1 . 1 114 114 ARG CA C 13 55.845 0.3 . 1 . . . . . 114 ARG CA . 27991 1 927 . 1 . 1 114 114 ARG CB C 13 31.252 0.3 . 1 . . . . . 114 ARG CB . 27991 1 928 . 1 . 1 114 114 ARG N N 15 126.188 0.3 . 1 . . . . . 114 ARG N . 27991 1 929 . 1 . 1 115 115 THR H H 1 8.295 0.02 . 1 . . . . . 115 THR H . 27991 1 930 . 1 . 1 115 115 THR HA H 1 4.366 0.02 . 1 . . . . . 115 THR HA . 27991 1 931 . 1 . 1 115 115 THR HB H 1 4.174 0.02 . 1 . . . . . 115 THR HB . 27991 1 932 . 1 . 1 115 115 THR HG21 H 1 1.179 0.02 . 1 . . . . . 115 THR HG2 . 27991 1 933 . 1 . 1 115 115 THR HG22 H 1 1.179 0.02 . 1 . . . . . 115 THR HG2 . 27991 1 934 . 1 . 1 115 115 THR HG23 H 1 1.179 0.02 . 1 . . . . . 115 THR HG2 . 27991 1 935 . 1 . 1 115 115 THR C C 13 174.17 0.3 . 1 . . . . . 115 THR C . 27991 1 936 . 1 . 1 115 115 THR CA C 13 61.681 0.3 . 1 . . . . . 115 THR CA . 27991 1 937 . 1 . 1 115 115 THR CB C 13 70.137 0.3 . 1 . . . . . 115 THR CB . 27991 1 938 . 1 . 1 115 115 THR N N 15 115.743 0.3 . 1 . . . . . 115 THR N . 27991 1 939 . 1 . 1 116 116 PHE H H 1 8.442 0.02 . 1 . . . . . 116 PHE H . 27991 1 940 . 1 . 1 116 116 PHE HA H 1 4.384 0.02 . 1 . . . . . 116 PHE HA . 27991 1 941 . 1 . 1 116 116 PHE HB2 H 1 3.081 0.02 . 2 . . . . . 116 PHE HB2 . 27991 1 942 . 1 . 1 116 116 PHE HB3 H 1 2.965 0.02 . 2 . . . . . 116 PHE HB3 . 27991 1 943 . 1 . 1 116 116 PHE C C 13 175.567 0.3 . 1 . . . . . 116 PHE C . 27991 1 944 . 1 . 1 116 116 PHE CA C 13 57.558 0.3 . 1 . . . . . 116 PHE CA . 27991 1 945 . 1 . 1 116 116 PHE CB C 13 40.249 0.3 . 1 . . . . . 116 PHE CB . 27991 1 946 . 1 . 1 116 116 PHE N N 15 122.355 0.3 . 1 . . . . . 116 PHE N . 27991 1 947 . 1 . 1 117 117 SER H H 1 8.37 0.02 . 1 . . . . . 117 SER H . 27991 1 948 . 1 . 1 117 117 SER HA H 1 4.507 0.02 . 1 . . . . . 117 SER HA . 27991 1 949 . 1 . 1 117 117 SER HB3 H 1 3.827 0.02 . 1 . . . . . 117 SER HB3 . 27991 1 950 . 1 . 1 117 117 SER C C 13 173.959 0.3 . 1 . . . . . 117 SER C . 27991 1 951 . 1 . 1 117 117 SER CA C 13 58.034 0.3 . 1 . . . . . 117 SER CA . 27991 1 952 . 1 . 1 117 117 SER CB C 13 64.189 0.3 . 1 . . . . . 117 SER CB . 27991 1 953 . 1 . 1 117 117 SER N N 15 117.427 0.3 . 1 . . . . . 117 SER N . 27991 1 954 . 1 . 1 118 118 PHE H H 1 8.353 0.02 . 1 . . . . . 118 PHE H . 27991 1 955 . 1 . 1 118 118 PHE HA H 1 4.709 0.02 . 1 . . . . . 118 PHE HA . 27991 1 956 . 1 . 1 118 118 PHE HB2 H 1 3.28 0.02 . 2 . . . . . 118 PHE HB2 . 27991 1 957 . 1 . 1 118 118 PHE HB3 H 1 3.06 0.02 . 2 . . . . . 118 PHE HB3 . 27991 1 958 . 1 . 1 118 118 PHE C C 13 174.953 0.3 . 1 . . . . . 118 PHE C . 27991 1 959 . 1 . 1 118 118 PHE CA C 13 57.91 0.3 . 1 . . . . . 118 PHE CA . 27991 1 960 . 1 . 1 118 118 PHE CB C 13 39.58 0.3 . 1 . . . . . 118 PHE CB . 27991 1 961 . 1 . 1 118 118 PHE N N 15 122.533 0.3 . 1 . . . . . 118 PHE N . 27991 1 962 . 1 . 1 119 119 GLN H H 1 8.108 0.02 . 1 . . . . . 119 GLN H . 27991 1 963 . 1 . 1 119 119 GLN HA H 1 4.223 0.02 . 1 . . . . . 119 GLN HA . 27991 1 964 . 1 . 1 119 119 GLN HB2 H 1 2.15 0.02 . 2 . . . . . 119 GLN HB2 . 27991 1 965 . 1 . 1 119 119 GLN HB3 H 1 1.977 0.02 . 2 . . . . . 119 GLN HB3 . 27991 1 966 . 1 . 1 119 119 GLN HG2 H 1 2.324 0.02 . 1 . . . . . 119 GLN HG2 . 27991 1 967 . 1 . 1 119 119 GLN C C 13 180.504 0.3 . 1 . . . . . 119 GLN C . 27991 1 968 . 1 . 1 119 119 GLN CA C 13 57.622 0.3 . 1 . . . . . 119 GLN CA . 27991 1 969 . 1 . 1 119 119 GLN CB C 13 30.509 0.3 . 1 . . . . . 119 GLN CB . 27991 1 970 . 1 . 1 119 119 GLN N N 15 126.098 0.3 . 1 . . . . . 119 GLN N . 27991 1 stop_ save_