data_18555 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18555 _Entry.Title ; NMR solution structure of PA1075 from Pseudomonas Aeruginosa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-06-29 _Entry.Accession_date 2012-06-29 _Entry.Last_release_date 2012-07-02 _Entry.Original_release_date 2012-07-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . _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 Maria Sunnerhagen . . . . 18555 2 Robert Schnell . . . . 18555 3 Cecilia Andresen . . . . 18555 4 Ahmad Moshref . . . . 18555 5 Gunter Schneider . . . . 18555 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18555 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 18555 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18555 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 429 18555 '15N chemical shifts' 105 18555 '1H chemical shifts' 692 18555 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 . . 2013-06-28 . original BMRB . 18555 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LV5 'BMRB Entry Tracking System' 18555 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18555 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR solution structure of PA1075, an essential protein in Pseudomonas Aeruginosa ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Maria Sunnerhagen . . . . 18555 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18555 _Assembly.ID 1 _Assembly.Name PA1075 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PA1075 1 $entity A . yes native no no . . . 18555 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18555 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMTEQTSTLYAKLLGETA VISWAELQPFFARGALLQVD AALDLVEVAEALAGDDREKV AAWLSGGGLSKVGEDAAKDF LERDPTLWAVVVAPWVVIQE RAEKATLH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11629.234 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 18555 1 2 . SER . 18555 1 3 . HIS . 18555 1 4 . MET . 18555 1 5 . THR . 18555 1 6 . GLU . 18555 1 7 . GLN . 18555 1 8 . THR . 18555 1 9 . SER . 18555 1 10 . THR . 18555 1 11 . LEU . 18555 1 12 . TYR . 18555 1 13 . ALA . 18555 1 14 . LYS . 18555 1 15 . LEU . 18555 1 16 . LEU . 18555 1 17 . GLY . 18555 1 18 . GLU . 18555 1 19 . THR . 18555 1 20 . ALA . 18555 1 21 . VAL . 18555 1 22 . ILE . 18555 1 23 . SER . 18555 1 24 . TRP . 18555 1 25 . ALA . 18555 1 26 . GLU . 18555 1 27 . LEU . 18555 1 28 . GLN . 18555 1 29 . PRO . 18555 1 30 . PHE . 18555 1 31 . PHE . 18555 1 32 . ALA . 18555 1 33 . ARG . 18555 1 34 . GLY . 18555 1 35 . ALA . 18555 1 36 . LEU . 18555 1 37 . LEU . 18555 1 38 . GLN . 18555 1 39 . VAL . 18555 1 40 . ASP . 18555 1 41 . ALA . 18555 1 42 . ALA . 18555 1 43 . LEU . 18555 1 44 . ASP . 18555 1 45 . LEU . 18555 1 46 . VAL . 18555 1 47 . GLU . 18555 1 48 . VAL . 18555 1 49 . ALA . 18555 1 50 . GLU . 18555 1 51 . ALA . 18555 1 52 . LEU . 18555 1 53 . ALA . 18555 1 54 . GLY . 18555 1 55 . ASP . 18555 1 56 . ASP . 18555 1 57 . ARG . 18555 1 58 . GLU . 18555 1 59 . LYS . 18555 1 60 . VAL . 18555 1 61 . ALA . 18555 1 62 . ALA . 18555 1 63 . TRP . 18555 1 64 . LEU . 18555 1 65 . SER . 18555 1 66 . GLY . 18555 1 67 . GLY . 18555 1 68 . GLY . 18555 1 69 . LEU . 18555 1 70 . SER . 18555 1 71 . LYS . 18555 1 72 . VAL . 18555 1 73 . GLY . 18555 1 74 . GLU . 18555 1 75 . ASP . 18555 1 76 . ALA . 18555 1 77 . ALA . 18555 1 78 . LYS . 18555 1 79 . ASP . 18555 1 80 . PHE . 18555 1 81 . LEU . 18555 1 82 . GLU . 18555 1 83 . ARG . 18555 1 84 . ASP . 18555 1 85 . PRO . 18555 1 86 . THR . 18555 1 87 . LEU . 18555 1 88 . TRP . 18555 1 89 . ALA . 18555 1 90 . VAL . 18555 1 91 . VAL . 18555 1 92 . VAL . 18555 1 93 . ALA . 18555 1 94 . PRO . 18555 1 95 . TRP . 18555 1 96 . VAL . 18555 1 97 . VAL . 18555 1 98 . ILE . 18555 1 99 . GLN . 18555 1 100 . GLU . 18555 1 101 . ARG . 18555 1 102 . ALA . 18555 1 103 . GLU . 18555 1 104 . LYS . 18555 1 105 . ALA . 18555 1 106 . THR . 18555 1 107 . LEU . 18555 1 108 . HIS . 18555 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18555 1 . SER 2 2 18555 1 . HIS 3 3 18555 1 . MET 4 4 18555 1 . THR 5 5 18555 1 . GLU 6 6 18555 1 . GLN 7 7 18555 1 . THR 8 8 18555 1 . SER 9 9 18555 1 . THR 10 10 18555 1 . LEU 11 11 18555 1 . TYR 12 12 18555 1 . ALA 13 13 18555 1 . LYS 14 14 18555 1 . LEU 15 15 18555 1 . LEU 16 16 18555 1 . GLY 17 17 18555 1 . GLU 18 18 18555 1 . THR 19 19 18555 1 . ALA 20 20 18555 1 . VAL 21 21 18555 1 . ILE 22 22 18555 1 . SER 23 23 18555 1 . TRP 24 24 18555 1 . ALA 25 25 18555 1 . GLU 26 26 18555 1 . LEU 27 27 18555 1 . GLN 28 28 18555 1 . PRO 29 29 18555 1 . PHE 30 30 18555 1 . PHE 31 31 18555 1 . ALA 32 32 18555 1 . ARG 33 33 18555 1 . GLY 34 34 18555 1 . ALA 35 35 18555 1 . LEU 36 36 18555 1 . LEU 37 37 18555 1 . GLN 38 38 18555 1 . VAL 39 39 18555 1 . ASP 40 40 18555 1 . ALA 41 41 18555 1 . ALA 42 42 18555 1 . LEU 43 43 18555 1 . ASP 44 44 18555 1 . LEU 45 45 18555 1 . VAL 46 46 18555 1 . GLU 47 47 18555 1 . VAL 48 48 18555 1 . ALA 49 49 18555 1 . GLU 50 50 18555 1 . ALA 51 51 18555 1 . LEU 52 52 18555 1 . ALA 53 53 18555 1 . GLY 54 54 18555 1 . ASP 55 55 18555 1 . ASP 56 56 18555 1 . ARG 57 57 18555 1 . GLU 58 58 18555 1 . LYS 59 59 18555 1 . VAL 60 60 18555 1 . ALA 61 61 18555 1 . ALA 62 62 18555 1 . TRP 63 63 18555 1 . LEU 64 64 18555 1 . SER 65 65 18555 1 . GLY 66 66 18555 1 . GLY 67 67 18555 1 . GLY 68 68 18555 1 . LEU 69 69 18555 1 . SER 70 70 18555 1 . LYS 71 71 18555 1 . VAL 72 72 18555 1 . GLY 73 73 18555 1 . GLU 74 74 18555 1 . ASP 75 75 18555 1 . ALA 76 76 18555 1 . ALA 77 77 18555 1 . LYS 78 78 18555 1 . ASP 79 79 18555 1 . PHE 80 80 18555 1 . LEU 81 81 18555 1 . GLU 82 82 18555 1 . ARG 83 83 18555 1 . ASP 84 84 18555 1 . PRO 85 85 18555 1 . THR 86 86 18555 1 . LEU 87 87 18555 1 . TRP 88 88 18555 1 . ALA 89 89 18555 1 . VAL 90 90 18555 1 . VAL 91 91 18555 1 . VAL 92 92 18555 1 . ALA 93 93 18555 1 . PRO 94 94 18555 1 . TRP 95 95 18555 1 . VAL 96 96 18555 1 . VAL 97 97 18555 1 . ILE 98 98 18555 1 . GLN 99 99 18555 1 . GLU 100 100 18555 1 . ARG 101 101 18555 1 . ALA 102 102 18555 1 . GLU 103 103 18555 1 . LYS 104 104 18555 1 . ALA 105 105 18555 1 . THR 106 106 18555 1 . LEU 107 107 18555 1 . HIS 108 108 18555 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 18555 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . 18555 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 18555 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 18555 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18555 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 PA1075 '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.5-0.7 . . mM . . . . 18555 1 2 TRIS 'natural abundance' . . . . . . 12.5 . . mM . . . . 18555 1 3 'sodium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 18555 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18555 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 165 . mM 18555 1 pH 7.0 . pH 18555 1 pressure 1 . atm 18555 1 temperature 298 . K 18555 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18555 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18555 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18555 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18555 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18555 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18555 2 stop_ save_ save_ABACUS _Software.Sf_category software _Software.Sf_framecode ABACUS _Software.Entry_ID 18555 _Software.ID 3 _Software.Type . _Software.Name ABACUS _Software.Version . _Software.DOI . _Software.Details 'J Biomol NMR. 2011 Jan;49(1):27-38' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lemak and Arrowsmith' . alemak@uhnres.utoronto.ca,carrow@uhnres.utoronto.ca 18555 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18555 3 'data analysis' 18555 3 'structure solution' 18555 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18555 _Software.ID 4 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18555 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18555 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18555 _Software.ID 5 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18555 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18555 5 stop_ save_ save_MDD _Software.Sf_category software _Software.Sf_framecode MDD _Software.Entry_ID 18555 _Software.ID 6 _Software.Type . _Software.Name MDD _Software.Version . _Software.DOI . _Software.Details 'Nat Methods. 2006 Aug;3(8):605-7.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Orekhov . vladislav.orekhov@nmr.gu.se 18555 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18555 6 processing 18555 6 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 18555 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18555 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18555 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 18555 1 2 spectrometer_2 Varian INOVA . 800 . . . 18555 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 18555 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18555 1 2 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18555 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18555 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18555 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18555 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18555 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18555 1 8 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18555 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18555 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18555 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18555 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18555 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18555 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 18555 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 18555 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 18555 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 18555 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC aliphatic' . . . 18555 1 2 '2D 1H-13C HSQC aromatic' . . . 18555 1 3 '3D HNCA' . . . 18555 1 4 '3D HNCO' . . . 18555 1 5 '3D CBCA(CO)NH' . . . 18555 1 6 '3D HBHA(CO)NH' . . . 18555 1 7 '3D HCCH-TOCSY' . . . 18555 1 8 '3D CCH-TOCSY' . . . 18555 1 9 '2D 1H-15N HSQC' . . . 18555 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 3 3 HIS HA H 1 4.429 . . 1 . . . . A 3 HIS HA . 18555 1 2 . 1 1 3 3 HIS HB2 H 1 3.204 . . 2 . . . . A 3 HIS HB2 . 18555 1 3 . 1 1 3 3 HIS HB3 H 1 3.034 . . 2 . . . . A 3 HIS HB3 . 18555 1 4 . 1 1 3 3 HIS CA C 13 56.878 . . 1 . . . . A 3 HIS CA . 18555 1 5 . 1 1 3 3 HIS CB C 13 30.473 . . 1 . . . . A 3 HIS CB . 18555 1 6 . 1 1 4 4 MET H H 1 8.462 . . 1 . . . . A 4 MET H . 18555 1 7 . 1 1 4 4 MET HA H 1 4.460 . . 1 . . . . A 4 MET HA . 18555 1 8 . 1 1 4 4 MET HB2 H 1 2.052 . . 2 . . . . A 4 MET HB2 . 18555 1 9 . 1 1 4 4 MET HB3 H 1 1.944 . . 2 . . . . A 4 MET HB3 . 18555 1 10 . 1 1 4 4 MET HG2 H 1 2.503 . . 2 . . . . A 4 MET HG2 . 18555 1 11 . 1 1 4 4 MET HG3 H 1 2.430 . . 2 . . . . A 4 MET HG3 . 18555 1 12 . 1 1 4 4 MET HE1 H 1 2.040 . . 1 . . . . A 4 MET HE1 . 18555 1 13 . 1 1 4 4 MET HE2 H 1 2.040 . . 1 . . . . A 4 MET HE2 . 18555 1 14 . 1 1 4 4 MET HE3 H 1 2.040 . . 1 . . . . A 4 MET HE3 . 18555 1 15 . 1 1 4 4 MET C C 13 176.280 . . 1 . . . . A 4 MET C . 18555 1 16 . 1 1 4 4 MET CA C 13 55.787 . . 1 . . . . A 4 MET CA . 18555 1 17 . 1 1 4 4 MET CB C 13 32.882 . . 1 . . . . A 4 MET CB . 18555 1 18 . 1 1 4 4 MET CG C 13 31.940 . . 1 . . . . A 4 MET CG . 18555 1 19 . 1 1 4 4 MET CE C 13 16.980 . . 1 . . . . A 4 MET CE . 18555 1 20 . 1 1 4 4 MET N N 15 121.674 . . 1 . . . . A 4 MET N . 18555 1 21 . 1 1 5 5 THR H H 1 8.170 . . 1 . . . . A 5 THR H . 18555 1 22 . 1 1 5 5 THR HA H 1 4.312 . . 1 . . . . A 5 THR HA . 18555 1 23 . 1 1 5 5 THR HB H 1 4.247 . . 1 . . . . A 5 THR HB . 18555 1 24 . 1 1 5 5 THR HG21 H 1 1.194 . . 1 . . . . A 5 THR HG21 . 18555 1 25 . 1 1 5 5 THR HG22 H 1 1.194 . . 1 . . . . A 5 THR HG22 . 18555 1 26 . 1 1 5 5 THR HG23 H 1 1.194 . . 1 . . . . A 5 THR HG23 . 18555 1 27 . 1 1 5 5 THR C C 13 174.640 . . 1 . . . . A 5 THR C . 18555 1 28 . 1 1 5 5 THR CA C 13 61.951 . . 1 . . . . A 5 THR CA . 18555 1 29 . 1 1 5 5 THR CB C 13 69.900 . . 1 . . . . A 5 THR CB . 18555 1 30 . 1 1 5 5 THR CG2 C 13 21.628 . . 1 . . . . A 5 THR CG2 . 18555 1 31 . 1 1 5 5 THR N N 15 114.853 . . 1 . . . . A 5 THR N . 18555 1 32 . 1 1 6 6 GLU H H 1 8.468 . . 1 . . . . A 6 GLU H . 18555 1 33 . 1 1 6 6 GLU HA H 1 4.247 . . 1 . . . . A 6 GLU HA . 18555 1 34 . 1 1 6 6 GLU HB2 H 1 2.048 . . 2 . . . . A 6 GLU HB2 . 18555 1 35 . 1 1 6 6 GLU HB3 H 1 1.932 . . 2 . . . . A 6 GLU HB3 . 18555 1 36 . 1 1 6 6 GLU HG2 H 1 2.250 . . 2 . . . . A 6 GLU HG2 . 18555 1 37 . 1 1 6 6 GLU HG3 H 1 2.250 . . 2 . . . . A 6 GLU HG3 . 18555 1 38 . 1 1 6 6 GLU C C 13 176.434 . . 1 . . . . A 6 GLU C . 18555 1 39 . 1 1 6 6 GLU CA C 13 56.915 . . 1 . . . . A 6 GLU CA . 18555 1 40 . 1 1 6 6 GLU CB C 13 30.019 . . 1 . . . . A 6 GLU CB . 18555 1 41 . 1 1 6 6 GLU CG C 13 36.284 . . 1 . . . . A 6 GLU CG . 18555 1 42 . 1 1 6 6 GLU N N 15 122.664 . . 1 . . . . A 6 GLU N . 18555 1 43 . 1 1 7 7 GLN H H 1 8.333 . . 1 . . . . A 7 GLN H . 18555 1 44 . 1 1 7 7 GLN HA H 1 4.320 . . 1 . . . . A 7 GLN HA . 18555 1 45 . 1 1 7 7 GLN HB2 H 1 2.070 . . 2 . . . . A 7 GLN HB2 . 18555 1 46 . 1 1 7 7 GLN HB3 H 1 1.930 . . 2 . . . . A 7 GLN HB3 . 18555 1 47 . 1 1 7 7 GLN HG2 H 1 2.300 . . 2 . . . . A 7 GLN HG2 . 18555 1 48 . 1 1 7 7 GLN HG3 H 1 2.300 . . 2 . . . . A 7 GLN HG3 . 18555 1 49 . 1 1 7 7 GLN C C 13 176.100 . . 1 . . . . A 7 GLN C . 18555 1 50 . 1 1 7 7 GLN CA C 13 55.950 . . 1 . . . . A 7 GLN CA . 18555 1 51 . 1 1 7 7 GLN CB C 13 29.160 . . 1 . . . . A 7 GLN CB . 18555 1 52 . 1 1 7 7 GLN CG C 13 33.760 . . 1 . . . . A 7 GLN CG . 18555 1 53 . 1 1 7 7 GLN N N 15 120.438 . . 1 . . . . A 7 GLN N . 18555 1 54 . 1 1 8 8 THR H H 1 8.015 . . 1 . . . . A 8 THR H . 18555 1 55 . 1 1 8 8 THR HA H 1 4.350 . . 1 . . . . A 8 THR HA . 18555 1 56 . 1 1 8 8 THR HB H 1 4.280 . . 1 . . . . A 8 THR HB . 18555 1 57 . 1 1 8 8 THR HG21 H 1 1.155 . . 1 . . . . A 8 THR HG21 . 18555 1 58 . 1 1 8 8 THR HG22 H 1 1.155 . . 1 . . . . A 8 THR HG22 . 18555 1 59 . 1 1 8 8 THR HG23 H 1 1.155 . . 1 . . . . A 8 THR HG23 . 18555 1 60 . 1 1 8 8 THR CA C 13 61.790 . . 1 . . . . A 8 THR CA . 18555 1 61 . 1 1 8 8 THR CB C 13 69.120 . . 1 . . . . A 8 THR CB . 18555 1 62 . 1 1 8 8 THR CG2 C 13 22.020 . . 1 . . . . A 8 THR CG2 . 18555 1 63 . 1 1 8 8 THR N N 15 114.850 . . 1 . . . . A 8 THR N . 18555 1 64 . 1 1 10 10 THR H H 1 8.535 . . 1 . . . . A 10 THR H . 18555 1 65 . 1 1 10 10 THR HA H 1 4.220 . . 1 . . . . A 10 THR HA . 18555 1 66 . 1 1 10 10 THR HB H 1 4.086 . . 1 . . . . A 10 THR HB . 18555 1 67 . 1 1 10 10 THR HG21 H 1 1.004 . . 1 . . . . A 10 THR HG21 . 18555 1 68 . 1 1 10 10 THR HG22 H 1 1.004 . . 1 . . . . A 10 THR HG22 . 18555 1 69 . 1 1 10 10 THR HG23 H 1 1.004 . . 1 . . . . A 10 THR HG23 . 18555 1 70 . 1 1 10 10 THR C C 13 176.400 . . 1 . . . . A 10 THR C . 18555 1 71 . 1 1 10 10 THR CA C 13 61.650 . . 1 . . . . A 10 THR CA . 18555 1 72 . 1 1 10 10 THR CB C 13 70.190 . . 1 . . . . A 10 THR CB . 18555 1 73 . 1 1 10 10 THR CG2 C 13 22.010 . . 1 . . . . A 10 THR CG2 . 18555 1 74 . 1 1 10 10 THR N N 15 116.414 . . 1 . . . . A 10 THR N . 18555 1 75 . 1 1 11 11 LEU H H 1 8.190 . . 1 . . . . A 11 LEU H . 18555 1 76 . 1 1 11 11 LEU HA H 1 4.207 . . 1 . . . . A 11 LEU HA . 18555 1 77 . 1 1 11 11 LEU HB2 H 1 1.741 . . 2 . . . . A 11 LEU HB2 . 18555 1 78 . 1 1 11 11 LEU HB3 H 1 1.627 . . 2 . . . . A 11 LEU HB3 . 18555 1 79 . 1 1 11 11 LEU HG H 1 1.519 . . 1 . . . . A 11 LEU HG . 18555 1 80 . 1 1 11 11 LEU HD11 H 1 0.915 . . 1 . . . . A 11 LEU HD11 . 18555 1 81 . 1 1 11 11 LEU HD12 H 1 0.915 . . 1 . . . . A 11 LEU HD12 . 18555 1 82 . 1 1 11 11 LEU HD13 H 1 0.915 . . 1 . . . . A 11 LEU HD13 . 18555 1 83 . 1 1 11 11 LEU HD21 H 1 0.929 . . 1 . . . . A 11 LEU HD21 . 18555 1 84 . 1 1 11 11 LEU HD22 H 1 0.929 . . 1 . . . . A 11 LEU HD22 . 18555 1 85 . 1 1 11 11 LEU HD23 H 1 0.929 . . 1 . . . . A 11 LEU HD23 . 18555 1 86 . 1 1 11 11 LEU C C 13 177.600 . . 1 . . . . A 11 LEU C . 18555 1 87 . 1 1 11 11 LEU CA C 13 57.630 . . 1 . . . . A 11 LEU CA . 18555 1 88 . 1 1 11 11 LEU CB C 13 41.890 . . 1 . . . . A 11 LEU CB . 18555 1 89 . 1 1 11 11 LEU CG C 13 26.950 . . 1 . . . . A 11 LEU CG . 18555 1 90 . 1 1 11 11 LEU CD1 C 13 25.290 . . 1 . . . . A 11 LEU CD1 . 18555 1 91 . 1 1 11 11 LEU CD2 C 13 23.150 . . 1 . . . . A 11 LEU CD2 . 18555 1 92 . 1 1 11 11 LEU N N 15 114.850 . . 1 . . . . A 11 LEU N . 18555 1 93 . 1 1 12 12 TYR H H 1 8.196 . . 1 . . . . A 12 TYR H . 18555 1 94 . 1 1 12 12 TYR HA H 1 4.363 . . 1 . . . . A 12 TYR HA . 18555 1 95 . 1 1 12 12 TYR HB2 H 1 3.050 . . 2 . . . . A 12 TYR HB2 . 18555 1 96 . 1 1 12 12 TYR HB3 H 1 3.050 . . 2 . . . . A 12 TYR HB3 . 18555 1 97 . 1 1 12 12 TYR HD1 H 1 6.910 . . 1 . . . . A 12 TYR HD1 . 18555 1 98 . 1 1 12 12 TYR HD2 H 1 6.910 . . 2 . . . . A 12 TYR HD2 . 18555 1 99 . 1 1 12 12 TYR HE1 H 1 6.576 . . 1 . . . . A 12 TYR HE1 . 18555 1 100 . 1 1 12 12 TYR HE2 H 1 6.576 . . 2 . . . . A 12 TYR HE2 . 18555 1 101 . 1 1 12 12 TYR C C 13 176.713 . . 1 . . . . A 12 TYR C . 18555 1 102 . 1 1 12 12 TYR CA C 13 61.749 . . 1 . . . . A 12 TYR CA . 18555 1 103 . 1 1 12 12 TYR CB C 13 42.021 . . 1 . . . . A 12 TYR CB . 18555 1 104 . 1 1 12 12 TYR CD1 C 13 133.597 . . 1 . . . . A 12 TYR CD1 . 18555 1 105 . 1 1 12 12 TYR CD2 C 13 133.597 . . 1 . . . . A 12 TYR CD2 . 18555 1 106 . 1 1 12 12 TYR CE1 C 13 117.715 . . 1 . . . . A 12 TYR CE1 . 18555 1 107 . 1 1 12 12 TYR CE2 C 13 117.715 . . 1 . . . . A 12 TYR CE2 . 18555 1 108 . 1 1 12 12 TYR N N 15 120.500 . . 1 . . . . A 12 TYR N . 18555 1 109 . 1 1 13 13 ALA H H 1 7.823 . . 1 . . . . A 13 ALA H . 18555 1 110 . 1 1 13 13 ALA HA H 1 4.019 . . 1 . . . . A 13 ALA HA . 18555 1 111 . 1 1 13 13 ALA HB1 H 1 1.493 . . 1 . . . . A 13 ALA HB1 . 18555 1 112 . 1 1 13 13 ALA HB2 H 1 1.493 . . 1 . . . . A 13 ALA HB2 . 18555 1 113 . 1 1 13 13 ALA HB3 H 1 1.493 . . 1 . . . . A 13 ALA HB3 . 18555 1 114 . 1 1 13 13 ALA C C 13 180.309 . . 1 . . . . A 13 ALA C . 18555 1 115 . 1 1 13 13 ALA CA C 13 54.952 . . 1 . . . . A 13 ALA CA . 18555 1 116 . 1 1 13 13 ALA CB C 13 18.381 . . 1 . . . . A 13 ALA CB . 18555 1 117 . 1 1 13 13 ALA N N 15 118.634 . . 1 . . . . A 13 ALA N . 18555 1 118 . 1 1 14 14 LYS H H 1 7.947 . . 1 . . . . A 14 LYS H . 18555 1 119 . 1 1 14 14 LYS HA H 1 4.002 . . 1 . . . . A 14 LYS HA . 18555 1 120 . 1 1 14 14 LYS C C 13 178.986 . . 1 . . . . A 14 LYS C . 18555 1 121 . 1 1 14 14 LYS CA C 13 58.951 . . 1 . . . . A 14 LYS CA . 18555 1 122 . 1 1 14 14 LYS N N 15 119.934 . . 1 . . . . A 14 LYS N . 18555 1 123 . 1 1 15 15 LEU H H 1 8.215 . . 1 . . . . A 15 LEU H . 18555 1 124 . 1 1 15 15 LEU HA H 1 3.959 . . 1 . . . . A 15 LEU HA . 18555 1 125 . 1 1 15 15 LEU HB2 H 1 1.621 . . 2 . . . . A 15 LEU HB2 . 18555 1 126 . 1 1 15 15 LEU HB3 H 1 1.730 . . 2 . . . . A 15 LEU HB3 . 18555 1 127 . 1 1 15 15 LEU HG H 1 1.493 . . 1 . . . . A 15 LEU HG . 18555 1 128 . 1 1 15 15 LEU HD11 H 1 0.610 . . 1 . . . . A 15 LEU HD11 . 18555 1 129 . 1 1 15 15 LEU HD12 H 1 0.610 . . 1 . . . . A 15 LEU HD12 . 18555 1 130 . 1 1 15 15 LEU HD13 H 1 0.610 . . 1 . . . . A 15 LEU HD13 . 18555 1 131 . 1 1 15 15 LEU HD21 H 1 0.693 . . 1 . . . . A 15 LEU HD21 . 18555 1 132 . 1 1 15 15 LEU HD22 H 1 0.693 . . 1 . . . . A 15 LEU HD22 . 18555 1 133 . 1 1 15 15 LEU HD23 H 1 0.693 . . 1 . . . . A 15 LEU HD23 . 18555 1 134 . 1 1 15 15 LEU CA C 13 57.100 . . 1 . . . . A 15 LEU CA . 18555 1 135 . 1 1 15 15 LEU CB C 13 42.050 . . 1 . . . . A 15 LEU CB . 18555 1 136 . 1 1 15 15 LEU CG C 13 26.760 . . 1 . . . . A 15 LEU CG . 18555 1 137 . 1 1 15 15 LEU CD1 C 13 25.530 . . 1 . . . . A 15 LEU CD1 . 18555 1 138 . 1 1 15 15 LEU CD2 C 13 22.210 . . 1 . . . . A 15 LEU CD2 . 18555 1 139 . 1 1 15 15 LEU N N 15 119.922 . . 1 . . . . A 15 LEU N . 18555 1 140 . 1 1 16 16 LEU H H 1 8.574 . . 1 . . . . A 16 LEU H . 18555 1 141 . 1 1 16 16 LEU N N 15 121.710 . . 1 . . . . A 16 LEU N . 18555 1 142 . 1 1 17 17 GLY H H 1 7.652 . . 1 . . . . A 17 GLY H . 18555 1 143 . 1 1 17 17 GLY HA2 H 1 4.041 . . 2 . . . . A 17 GLY HA2 . 18555 1 144 . 1 1 17 17 GLY HA3 H 1 3.935 . . 2 . . . . A 17 GLY HA3 . 18555 1 145 . 1 1 17 17 GLY C C 13 174.419 . . 1 . . . . A 17 GLY C . 18555 1 146 . 1 1 17 17 GLY CA C 13 46.017 . . 1 . . . . A 17 GLY CA . 18555 1 147 . 1 1 17 17 GLY N N 15 105.0 . . 1 . . . . A 17 GLY N . 18555 1 148 . 1 1 18 18 GLU H H 1 7.577 . . 1 . . . . A 18 GLU H . 18555 1 149 . 1 1 18 18 GLU HA H 1 4.438 . . 1 . . . . A 18 GLU HA . 18555 1 150 . 1 1 18 18 GLU CA C 13 55.780 . . 1 . . . . A 18 GLU CA . 18555 1 151 . 1 1 18 18 GLU N N 15 118.795 . . 1 . . . . A 18 GLU N . 18555 1 152 . 1 1 19 19 THR H H 1 7.440 . . 1 . . . . A 19 THR H . 18555 1 153 . 1 1 19 19 THR HA H 1 4.533 . . 1 . . . . A 19 THR HA . 18555 1 154 . 1 1 19 19 THR HB H 1 4.020 . . 1 . . . . A 19 THR HB . 18555 1 155 . 1 1 19 19 THR HG21 H 1 0.996 . . 1 . . . . A 19 THR HG21 . 18555 1 156 . 1 1 19 19 THR HG22 H 1 0.996 . . 1 . . . . A 19 THR HG22 . 18555 1 157 . 1 1 19 19 THR HG23 H 1 0.996 . . 1 . . . . A 19 THR HG23 . 18555 1 158 . 1 1 19 19 THR C C 13 174.180 . . 1 . . . . A 19 THR C . 18555 1 159 . 1 1 19 19 THR CA C 13 63.616 . . 1 . . . . A 19 THR CA . 18555 1 160 . 1 1 19 19 THR CB C 13 69.278 . . 1 . . . . A 19 THR CB . 18555 1 161 . 1 1 19 19 THR CG2 C 13 21.642 . . 1 . . . . A 19 THR CG2 . 18555 1 162 . 1 1 19 19 THR N N 15 118.023 . . 1 . . . . A 19 THR N . 18555 1 163 . 1 1 20 20 ALA H H 1 8.764 . . 1 . . . . A 20 ALA H . 18555 1 164 . 1 1 20 20 ALA HA H 1 4.708 . . 1 . . . . A 20 ALA HA . 18555 1 165 . 1 1 20 20 ALA HB1 H 1 1.338 . . 1 . . . . A 20 ALA HB1 . 18555 1 166 . 1 1 20 20 ALA HB2 H 1 1.338 . . 1 . . . . A 20 ALA HB2 . 18555 1 167 . 1 1 20 20 ALA HB3 H 1 1.338 . . 1 . . . . A 20 ALA HB3 . 18555 1 168 . 1 1 20 20 ALA C C 13 175.502 . . 1 . . . . A 20 ALA C . 18555 1 169 . 1 1 20 20 ALA CA C 13 51.233 . . 1 . . . . A 20 ALA CA . 18555 1 170 . 1 1 20 20 ALA CB C 13 22.731 . . 1 . . . . A 20 ALA CB . 18555 1 171 . 1 1 20 20 ALA N N 15 128.543 . . 1 . . . . A 20 ALA N . 18555 1 172 . 1 1 21 21 VAL H H 1 7.888 . . 1 . . . . A 21 VAL H . 18555 1 173 . 1 1 21 21 VAL HA H 1 4.421 . . 1 . . . . A 21 VAL HA . 18555 1 174 . 1 1 21 21 VAL HB H 1 1.554 . . 1 . . . . A 21 VAL HB . 18555 1 175 . 1 1 21 21 VAL HG11 H 1 0.631 . . 1 . . . . A 21 VAL HG11 . 18555 1 176 . 1 1 21 21 VAL HG12 H 1 0.631 . . 1 . . . . A 21 VAL HG12 . 18555 1 177 . 1 1 21 21 VAL HG13 H 1 0.631 . . 1 . . . . A 21 VAL HG13 . 18555 1 178 . 1 1 21 21 VAL HG21 H 1 0.154 . . 1 . . . . A 21 VAL HG21 . 18555 1 179 . 1 1 21 21 VAL HG22 H 1 0.154 . . 1 . . . . A 21 VAL HG22 . 18555 1 180 . 1 1 21 21 VAL HG23 H 1 0.154 . . 1 . . . . A 21 VAL HG23 . 18555 1 181 . 1 1 21 21 VAL C C 13 176.172 . . 1 . . . . A 21 VAL C . 18555 1 182 . 1 1 21 21 VAL CA C 13 62.011 . . 1 . . . . A 21 VAL CA . 18555 1 183 . 1 1 21 21 VAL CB C 13 31.655 . . 1 . . . . A 21 VAL CB . 18555 1 184 . 1 1 21 21 VAL CG1 C 13 21.416 . . 1 . . . . A 21 VAL CG1 . 18555 1 185 . 1 1 21 21 VAL CG2 C 13 20.711 . . 1 . . . . A 21 VAL CG2 . 18555 1 186 . 1 1 21 21 VAL N N 15 120.704 . . 1 . . . . A 21 VAL N . 18555 1 187 . 1 1 22 22 ILE H H 1 8.594 . . 1 . . . . A 22 ILE H . 18555 1 188 . 1 1 22 22 ILE HA H 1 4.439 . . 1 . . . . A 22 ILE HA . 18555 1 189 . 1 1 22 22 ILE HB H 1 1.390 . . 1 . . . . A 22 ILE HB . 18555 1 190 . 1 1 22 22 ILE HG12 H 1 1.475 . . 2 . . . . A 22 ILE HG12 . 18555 1 191 . 1 1 22 22 ILE HG13 H 1 1.180 . . 2 . . . . A 22 ILE HG13 . 18555 1 192 . 1 1 22 22 ILE HG21 H 1 0.729 . . 1 . . . . A 22 ILE HG21 . 18555 1 193 . 1 1 22 22 ILE HG22 H 1 0.729 . . 1 . . . . A 22 ILE HG22 . 18555 1 194 . 1 1 22 22 ILE HG23 H 1 0.729 . . 1 . . . . A 22 ILE HG23 . 18555 1 195 . 1 1 22 22 ILE HD11 H 1 0.648 . . 1 . . . . A 22 ILE HD11 . 18555 1 196 . 1 1 22 22 ILE HD12 H 1 0.648 . . 1 . . . . A 22 ILE HD12 . 18555 1 197 . 1 1 22 22 ILE HD13 H 1 0.648 . . 1 . . . . A 22 ILE HD13 . 18555 1 198 . 1 1 22 22 ILE C C 13 173.757 . . 1 . . . . A 22 ILE C . 18555 1 199 . 1 1 22 22 ILE CA C 13 60.218 . . 1 . . . . A 22 ILE CA . 18555 1 200 . 1 1 22 22 ILE CB C 13 42.134 . . 1 . . . . A 22 ILE CB . 18555 1 201 . 1 1 22 22 ILE CG1 C 13 28.362 . . 1 . . . . A 22 ILE CG1 . 18555 1 202 . 1 1 22 22 ILE CG2 C 13 17.436 . . 1 . . . . A 22 ILE CG2 . 18555 1 203 . 1 1 22 22 ILE CD1 C 13 13.271 . . 1 . . . . A 22 ILE CD1 . 18555 1 204 . 1 1 22 22 ILE N N 15 128.343 . . 1 . . . . A 22 ILE N . 18555 1 205 . 1 1 23 23 SER H H 1 8.086 . . 1 . . . . A 23 SER H . 18555 1 206 . 1 1 23 23 SER HA H 1 4.730 . . 1 . . . . A 23 SER HA . 18555 1 207 . 1 1 23 23 SER HB2 H 1 3.994 . . 2 . . . . A 23 SER HB2 . 18555 1 208 . 1 1 23 23 SER HB3 H 1 4.283 . . 2 . . . . A 23 SER HB3 . 18555 1 209 . 1 1 23 23 SER C C 13 175.191 . . 1 . . . . A 23 SER C . 18555 1 210 . 1 1 23 23 SER CA C 13 57.380 . . 1 . . . . A 23 SER CA . 18555 1 211 . 1 1 23 23 SER CB C 13 66.040 . . 1 . . . . A 23 SER CB . 18555 1 212 . 1 1 23 23 SER N N 15 120.746 . . 1 . . . . A 23 SER N . 18555 1 213 . 1 1 24 24 TRP H H 1 9.945 . . 1 . . . . A 24 TRP H . 18555 1 214 . 1 1 24 24 TRP HA H 1 4.252 . . 1 . . . . A 24 TRP HA . 18555 1 215 . 1 1 24 24 TRP HB2 H 1 3.196 . . 2 . . . . A 24 TRP HB2 . 18555 1 216 . 1 1 24 24 TRP HB3 H 1 3.141 . . 2 . . . . A 24 TRP HB3 . 18555 1 217 . 1 1 24 24 TRP HD1 H 1 7.028 . . 1 . . . . A 24 TRP HD1 . 18555 1 218 . 1 1 24 24 TRP HE1 H 1 9.856 . . 1 . . . . A 24 TRP HE1 . 18555 1 219 . 1 1 24 24 TRP HE3 H 1 6.941 . . 2 . . . . A 24 TRP HE3 . 18555 1 220 . 1 1 24 24 TRP HZ2 H 1 6.925 . . 2 . . . . A 24 TRP HZ2 . 18555 1 221 . 1 1 24 24 TRP HZ3 H 1 6.553 . . 2 . . . . A 24 TRP HZ3 . 18555 1 222 . 1 1 24 24 TRP HH2 H 1 6.481 . . 2 . . . . A 24 TRP HH2 . 18555 1 223 . 1 1 24 24 TRP C C 13 177.732 . . 1 . . . . A 24 TRP C . 18555 1 224 . 1 1 24 24 TRP CA C 13 59.944 . . 1 . . . . A 24 TRP CA . 18555 1 225 . 1 1 24 24 TRP CB C 13 29.317 . . 1 . . . . A 24 TRP CB . 18555 1 226 . 1 1 24 24 TRP CD1 C 13 126.367 . . 1 . . . . A 24 TRP CD1 . 18555 1 227 . 1 1 24 24 TRP CE3 C 13 121.404 . . 1 . . . . A 24 TRP CE3 . 18555 1 228 . 1 1 24 24 TRP CZ2 C 13 113.582 . . 1 . . . . A 24 TRP CZ2 . 18555 1 229 . 1 1 24 24 TRP CZ3 C 13 120.935 . . 1 . . . . A 24 TRP CZ3 . 18555 1 230 . 1 1 24 24 TRP CH2 C 13 122.483 . . 1 . . . . A 24 TRP CH2 . 18555 1 231 . 1 1 24 24 TRP N N 15 123.051 . . 1 . . . . A 24 TRP N . 18555 1 232 . 1 1 24 24 TRP NE1 N 15 127.500 . . 1 . . . . A 24 TRP NE1 . 18555 1 233 . 1 1 25 25 ALA H H 1 8.571 . . 1 . . . . A 25 ALA H . 18555 1 234 . 1 1 25 25 ALA HA H 1 3.805 . . 1 . . . . A 25 ALA HA . 18555 1 235 . 1 1 25 25 ALA HB1 H 1 1.364 . . 1 . . . . A 25 ALA HB1 . 18555 1 236 . 1 1 25 25 ALA HB2 H 1 1.364 . . 1 . . . . A 25 ALA HB2 . 18555 1 237 . 1 1 25 25 ALA HB3 H 1 1.364 . . 1 . . . . A 25 ALA HB3 . 18555 1 238 . 1 1 25 25 ALA C C 13 180.738 . . 1 . . . . A 25 ALA C . 18555 1 239 . 1 1 25 25 ALA CA C 13 55.321 . . 1 . . . . A 25 ALA CA . 18555 1 240 . 1 1 25 25 ALA CB C 13 18.125 . . 1 . . . . A 25 ALA CB . 18555 1 241 . 1 1 25 25 ALA N N 15 118.496 . . 1 . . . . A 25 ALA N . 18555 1 242 . 1 1 26 26 GLU H H 1 7.367 . . 1 . . . . A 26 GLU H . 18555 1 243 . 1 1 26 26 GLU HA H 1 4.009 . . 1 . . . . A 26 GLU HA . 18555 1 244 . 1 1 26 26 GLU HB2 H 1 2.120 . . 2 . . . . A 26 GLU HB2 . 18555 1 245 . 1 1 26 26 GLU HB3 H 1 2.055 . . 2 . . . . A 26 GLU HB3 . 18555 1 246 . 1 1 26 26 GLU HG2 H 1 2.209 . . 2 . . . . A 26 GLU HG2 . 18555 1 247 . 1 1 26 26 GLU HG3 H 1 2.209 . . 2 . . . . A 26 GLU HG3 . 18555 1 248 . 1 1 26 26 GLU C C 13 177.191 . . 1 . . . . A 26 GLU C . 18555 1 249 . 1 1 26 26 GLU CA C 13 57.747 . . 1 . . . . A 26 GLU CA . 18555 1 250 . 1 1 26 26 GLU CB C 13 30.419 . . 1 . . . . A 26 GLU CB . 18555 1 251 . 1 1 26 26 GLU CG C 13 37.684 . . 1 . . . . A 26 GLU CG . 18555 1 252 . 1 1 26 26 GLU N N 15 115.012 . . 1 . . . . A 26 GLU N . 18555 1 253 . 1 1 27 27 LEU H H 1 7.484 . . 1 . . . . A 27 LEU H . 18555 1 254 . 1 1 27 27 LEU HA H 1 4.385 . . 1 . . . . A 27 LEU HA . 18555 1 255 . 1 1 27 27 LEU HB2 H 1 1.480 . . 2 . . . . A 27 LEU HB2 . 18555 1 256 . 1 1 27 27 LEU HB3 H 1 1.170 . . 2 . . . . A 27 LEU HB3 . 18555 1 257 . 1 1 27 27 LEU HG H 1 1.610 . . 1 . . . . A 27 LEU HG . 18555 1 258 . 1 1 27 27 LEU HD11 H 1 0.751 . . 1 . . . . A 27 LEU HD11 . 18555 1 259 . 1 1 27 27 LEU HD12 H 1 0.751 . . 1 . . . . A 27 LEU HD12 . 18555 1 260 . 1 1 27 27 LEU HD13 H 1 0.751 . . 1 . . . . A 27 LEU HD13 . 18555 1 261 . 1 1 27 27 LEU HD21 H 1 0.635 . . 1 . . . . A 27 LEU HD21 . 18555 1 262 . 1 1 27 27 LEU HD22 H 1 0.635 . . 1 . . . . A 27 LEU HD22 . 18555 1 263 . 1 1 27 27 LEU HD23 H 1 0.635 . . 1 . . . . A 27 LEU HD23 . 18555 1 264 . 1 1 27 27 LEU C C 13 178.269 . . 1 . . . . A 27 LEU C . 18555 1 265 . 1 1 27 27 LEU CA C 13 54.926 . . 1 . . . . A 27 LEU CA . 18555 1 266 . 1 1 27 27 LEU CB C 13 42.761 . . 1 . . . . A 27 LEU CB . 18555 1 267 . 1 1 27 27 LEU CG C 13 25.870 . . 1 . . . . A 27 LEU CG . 18555 1 268 . 1 1 27 27 LEU CD1 C 13 27.636 . . 1 . . . . A 27 LEU CD1 . 18555 1 269 . 1 1 27 27 LEU CD2 C 13 23.301 . . 1 . . . . A 27 LEU CD2 . 18555 1 270 . 1 1 27 27 LEU N N 15 118.402 . . 1 . . . . A 27 LEU N . 18555 1 271 . 1 1 28 28 GLN H H 1 7.369 . . 1 . . . . A 28 GLN H . 18555 1 272 . 1 1 28 28 GLN HA H 1 3.541 . . 1 . . . . A 28 GLN HA . 18555 1 273 . 1 1 28 28 GLN HB2 H 1 1.962 . . 2 . . . . A 28 GLN HB2 . 18555 1 274 . 1 1 28 28 GLN HB3 H 1 1.688 . . 2 . . . . A 28 GLN HB3 . 18555 1 275 . 1 1 28 28 GLN HG2 H 1 2.337 . . 2 . . . . A 28 GLN HG2 . 18555 1 276 . 1 1 28 28 GLN HG3 H 1 2.337 . . 2 . . . . A 28 GLN HG3 . 18555 1 277 . 1 1 28 28 GLN CA C 13 61.075 . . 1 . . . . A 28 GLN CA . 18555 1 278 . 1 1 28 28 GLN CB C 13 25.821 . . 1 . . . . A 28 GLN CB . 18555 1 279 . 1 1 28 28 GLN CG C 13 34.029 . . 1 . . . . A 28 GLN CG . 18555 1 280 . 1 1 28 28 GLN N N 15 121.053 . . 1 . . . . A 28 GLN N . 18555 1 281 . 1 1 29 29 PRO HA H 1 4.162 . . 1 . . . . A 29 PRO HA . 18555 1 282 . 1 1 29 29 PRO HB2 H 1 2.085 . . 2 . . . . A 29 PRO HB2 . 18555 1 283 . 1 1 29 29 PRO HB3 H 1 1.115 . . 2 . . . . A 29 PRO HB3 . 18555 1 284 . 1 1 29 29 PRO HG2 H 1 1.753 . . 2 . . . . A 29 PRO HG2 . 18555 1 285 . 1 1 29 29 PRO HG3 H 1 1.753 . . 2 . . . . A 29 PRO HG3 . 18555 1 286 . 1 1 29 29 PRO HD2 H 1 3.467 . . 2 . . . . A 29 PRO HD2 . 18555 1 287 . 1 1 29 29 PRO HD3 H 1 3.318 . . 2 . . . . A 29 PRO HD3 . 18555 1 288 . 1 1 29 29 PRO C C 13 178.988 . . 1 . . . . A 29 PRO C . 18555 1 289 . 1 1 29 29 PRO CA C 13 65.882 . . 1 . . . . A 29 PRO CA . 18555 1 290 . 1 1 29 29 PRO CB C 13 31.027 . . 1 . . . . A 29 PRO CB . 18555 1 291 . 1 1 29 29 PRO CG C 13 28.247 . . 1 . . . . A 29 PRO CG . 18555 1 292 . 1 1 29 29 PRO CD C 13 50.279 . . 1 . . . . A 29 PRO CD . 18555 1 293 . 1 1 30 30 PHE H H 1 7.193 . . 1 . . . . A 30 PHE H . 18555 1 294 . 1 1 30 30 PHE HA H 1 4.154 . . 1 . . . . A 30 PHE HA . 18555 1 295 . 1 1 30 30 PHE HB2 H 1 3.096 . . 2 . . . . A 30 PHE HB2 . 18555 1 296 . 1 1 30 30 PHE HB3 H 1 2.910 . . 2 . . . . A 30 PHE HB3 . 18555 1 297 . 1 1 30 30 PHE HD1 H 1 7.137 . . 1 . . . . A 30 PHE HD1 . 18555 1 298 . 1 1 30 30 PHE HD2 H 1 7.137 . . 2 . . . . A 30 PHE HD2 . 18555 1 299 . 1 1 30 30 PHE C C 13 178.471 . . 1 . . . . A 30 PHE C . 18555 1 300 . 1 1 30 30 PHE CA C 13 60.460 . . 1 . . . . A 30 PHE CA . 18555 1 301 . 1 1 30 30 PHE CB C 13 39.023 . . 1 . . . . A 30 PHE CB . 18555 1 302 . 1 1 30 30 PHE CD1 C 13 131.270 . . 1 . . . . A 30 PHE CD1 . 18555 1 303 . 1 1 30 30 PHE CD2 C 13 131.270 . . 1 . . . . A 30 PHE CD2 . 18555 1 304 . 1 1 30 30 PHE N N 15 113.813 . . 1 . . . . A 30 PHE N . 18555 1 305 . 1 1 31 31 PHE H H 1 8.138 . . 1 . . . . A 31 PHE H . 18555 1 306 . 1 1 31 31 PHE HA H 1 4.568 . . 1 . . . . A 31 PHE HA . 18555 1 307 . 1 1 31 31 PHE HB2 H 1 3.281 . . 2 . . . . A 31 PHE HB2 . 18555 1 308 . 1 1 31 31 PHE HB3 H 1 3.281 . . 2 . . . . A 31 PHE HB3 . 18555 1 309 . 1 1 31 31 PHE HD1 H 1 7.354 . . 1 . . . . A 31 PHE HD1 . 18555 1 310 . 1 1 31 31 PHE HD2 H 1 7.354 . . 2 . . . . A 31 PHE HD2 . 18555 1 311 . 1 1 31 31 PHE C C 13 179.150 . . 1 . . . . A 31 PHE C . 18555 1 312 . 1 1 31 31 PHE CA C 13 60.383 . . 1 . . . . A 31 PHE CA . 18555 1 313 . 1 1 31 31 PHE CB C 13 38.881 . . 1 . . . . A 31 PHE CB . 18555 1 314 . 1 1 31 31 PHE CD1 C 13 131.604 . . 1 . . . . A 31 PHE CD1 . 18555 1 315 . 1 1 31 31 PHE CD2 C 13 131.604 . . 1 . . . . A 31 PHE CD2 . 18555 1 316 . 1 1 31 31 PHE N N 15 121.897 . . 1 . . . . A 31 PHE N . 18555 1 317 . 1 1 32 32 ALA H H 1 8.478 . . 1 . . . . A 32 ALA H . 18555 1 318 . 1 1 32 32 ALA HA H 1 3.757 . . 1 . . . . A 32 ALA HA . 18555 1 319 . 1 1 32 32 ALA HB1 H 1 1.447 . . 1 . . . . A 32 ALA HB1 . 18555 1 320 . 1 1 32 32 ALA HB2 H 1 1.447 . . 1 . . . . A 32 ALA HB2 . 18555 1 321 . 1 1 32 32 ALA HB3 H 1 1.447 . . 1 . . . . A 32 ALA HB3 . 18555 1 322 . 1 1 32 32 ALA C C 13 178.376 . . 1 . . . . A 32 ALA C . 18555 1 323 . 1 1 32 32 ALA CA C 13 54.541 . . 1 . . . . A 32 ALA CA . 18555 1 324 . 1 1 32 32 ALA CB C 13 18.087 . . 1 . . . . A 32 ALA CB . 18555 1 325 . 1 1 32 32 ALA N N 15 122.673 . . 1 . . . . A 32 ALA N . 18555 1 326 . 1 1 33 33 ARG H H 1 6.947 . . 1 . . . . A 33 ARG H . 18555 1 327 . 1 1 33 33 ARG HA H 1 4.454 . . 1 . . . . A 33 ARG HA . 18555 1 328 . 1 1 33 33 ARG HB2 H 1 1.950 . . 2 . . . . A 33 ARG HB2 . 18555 1 329 . 1 1 33 33 ARG HB3 H 1 1.824 . . 2 . . . . A 33 ARG HB3 . 18555 1 330 . 1 1 33 33 ARG HG2 H 1 1.710 . . 2 . . . . A 33 ARG HG2 . 18555 1 331 . 1 1 33 33 ARG HG3 H 1 1.710 . . 2 . . . . A 33 ARG HG3 . 18555 1 332 . 1 1 33 33 ARG HD2 H 1 3.097 . . 2 . . . . A 33 ARG HD2 . 18555 1 333 . 1 1 33 33 ARG HD3 H 1 3.064 . . 2 . . . . A 33 ARG HD3 . 18555 1 334 . 1 1 33 33 ARG C C 13 176.577 . . 1 . . . . A 33 ARG C . 18555 1 335 . 1 1 33 33 ARG CA C 13 55.325 . . 1 . . . . A 33 ARG CA . 18555 1 336 . 1 1 33 33 ARG CB C 13 30.921 . . 1 . . . . A 33 ARG CB . 18555 1 337 . 1 1 33 33 ARG CG C 13 27.346 . . 1 . . . . A 33 ARG CG . 18555 1 338 . 1 1 33 33 ARG CD C 13 43.668 . . 1 . . . . A 33 ARG CD . 18555 1 339 . 1 1 33 33 ARG N N 15 112.900 . . 1 . . . . A 33 ARG N . 18555 1 340 . 1 1 34 34 GLY H H 1 7.972 . . 1 . . . . A 34 GLY H . 18555 1 341 . 1 1 34 34 GLY HA2 H 1 4.045 . . 2 . . . . A 34 GLY HA2 . 18555 1 342 . 1 1 34 34 GLY HA3 H 1 4.045 . . 2 . . . . A 34 GLY HA3 . 18555 1 343 . 1 1 34 34 GLY C C 13 175.040 . . 1 . . . . A 34 GLY C . 18555 1 344 . 1 1 34 34 GLY CA C 13 46.818 . . 1 . . . . A 34 GLY CA . 18555 1 345 . 1 1 34 34 GLY N N 15 109.967 . . 1 . . . . A 34 GLY N . 18555 1 346 . 1 1 35 35 ALA H H 1 7.876 . . 1 . . . . A 35 ALA H . 18555 1 347 . 1 1 35 35 ALA HA H 1 4.838 . . 1 . . . . A 35 ALA HA . 18555 1 348 . 1 1 35 35 ALA HB1 H 1 1.615 . . 1 . . . . A 35 ALA HB1 . 18555 1 349 . 1 1 35 35 ALA HB2 H 1 1.615 . . 1 . . . . A 35 ALA HB2 . 18555 1 350 . 1 1 35 35 ALA HB3 H 1 1.615 . . 1 . . . . A 35 ALA HB3 . 18555 1 351 . 1 1 35 35 ALA C C 13 175.582 . . 1 . . . . A 35 ALA C . 18555 1 352 . 1 1 35 35 ALA CA C 13 52.059 . . 1 . . . . A 35 ALA CA . 18555 1 353 . 1 1 35 35 ALA CB C 13 20.843 . . 1 . . . . A 35 ALA CB . 18555 1 354 . 1 1 35 35 ALA N N 15 119.636 . . 1 . . . . A 35 ALA N . 18555 1 355 . 1 1 36 36 LEU H H 1 7.904 . . 1 . . . . A 36 LEU H . 18555 1 356 . 1 1 36 36 LEU HA H 1 5.386 . . 1 . . . . A 36 LEU HA . 18555 1 357 . 1 1 36 36 LEU HB2 H 1 1.716 . . 2 . . . . A 36 LEU HB2 . 18555 1 358 . 1 1 36 36 LEU HB3 H 1 1.919 . . 2 . . . . A 36 LEU HB3 . 18555 1 359 . 1 1 36 36 LEU HG H 1 1.660 . . 1 . . . . A 36 LEU HG . 18555 1 360 . 1 1 36 36 LEU HD11 H 1 1.161 . . 1 . . . . A 36 LEU HD11 . 18555 1 361 . 1 1 36 36 LEU HD12 H 1 1.161 . . 1 . . . . A 36 LEU HD12 . 18555 1 362 . 1 1 36 36 LEU HD13 H 1 1.161 . . 1 . . . . A 36 LEU HD13 . 18555 1 363 . 1 1 36 36 LEU HD21 H 1 1.110 . . 1 . . . . A 36 LEU HD21 . 18555 1 364 . 1 1 36 36 LEU HD22 H 1 1.110 . . 1 . . . . A 36 LEU HD22 . 18555 1 365 . 1 1 36 36 LEU HD23 H 1 1.110 . . 1 . . . . A 36 LEU HD23 . 18555 1 366 . 1 1 36 36 LEU C C 13 176.410 . . 1 . . . . A 36 LEU C . 18555 1 367 . 1 1 36 36 LEU CA C 13 54.408 . . 1 . . . . A 36 LEU CA . 18555 1 368 . 1 1 36 36 LEU CB C 13 44.861 . . 1 . . . . A 36 LEU CB . 18555 1 369 . 1 1 36 36 LEU CG C 13 27.360 . . 1 . . . . A 36 LEU CG . 18555 1 370 . 1 1 36 36 LEU CD1 C 13 27.476 . . 1 . . . . A 36 LEU CD1 . 18555 1 371 . 1 1 36 36 LEU CD2 C 13 27.404 . . 1 . . . . A 36 LEU CD2 . 18555 1 372 . 1 1 36 36 LEU N N 15 117.667 . . 1 . . . . A 36 LEU N . 18555 1 373 . 1 1 37 37 LEU H H 1 9.066 . . 1 . . . . A 37 LEU H . 18555 1 374 . 1 1 37 37 LEU HA H 1 5.124 . . 1 . . . . A 37 LEU HA . 18555 1 375 . 1 1 37 37 LEU HB2 H 1 1.555 . . 2 . . . . A 37 LEU HB2 . 18555 1 376 . 1 1 37 37 LEU HB3 H 1 1.188 . . 2 . . . . A 37 LEU HB3 . 18555 1 377 . 1 1 37 37 LEU HG H 1 1.457 . . 1 . . . . A 37 LEU HG . 18555 1 378 . 1 1 37 37 LEU HD11 H 1 -0.064 . . 1 . . . . A 37 LEU HD11 . 18555 1 379 . 1 1 37 37 LEU HD12 H 1 -0.064 . . 1 . . . . A 37 LEU HD12 . 18555 1 380 . 1 1 37 37 LEU HD13 H 1 -0.064 . . 1 . . . . A 37 LEU HD13 . 18555 1 381 . 1 1 37 37 LEU HD21 H 1 0.407 . . 1 . . . . A 37 LEU HD21 . 18555 1 382 . 1 1 37 37 LEU HD22 H 1 0.407 . . 1 . . . . A 37 LEU HD22 . 18555 1 383 . 1 1 37 37 LEU HD23 H 1 0.407 . . 1 . . . . A 37 LEU HD23 . 18555 1 384 . 1 1 37 37 LEU C C 13 174.446 . . 1 . . . . A 37 LEU C . 18555 1 385 . 1 1 37 37 LEU CA C 13 53.233 . . 1 . . . . A 37 LEU CA . 18555 1 386 . 1 1 37 37 LEU CB C 13 45.756 . . 1 . . . . A 37 LEU CB . 18555 1 387 . 1 1 37 37 LEU CG C 13 26.750 . . 1 . . . . A 37 LEU CG . 18555 1 388 . 1 1 37 37 LEU CD1 C 13 25.409 . . 1 . . . . A 37 LEU CD1 . 18555 1 389 . 1 1 37 37 LEU CD2 C 13 22.757 . . 1 . . . . A 37 LEU CD2 . 18555 1 390 . 1 1 37 37 LEU N N 15 126.604 . . 1 . . . . A 37 LEU N . 18555 1 391 . 1 1 38 38 GLN H H 1 9.533 . . 1 . . . . A 38 GLN H . 18555 1 392 . 1 1 38 38 GLN HA H 1 5.274 . . 1 . . . . A 38 GLN HA . 18555 1 393 . 1 1 38 38 GLN HB2 H 1 1.834 . . 2 . . . . A 38 GLN HB2 . 18555 1 394 . 1 1 38 38 GLN HB3 H 1 1.788 . . 2 . . . . A 38 GLN HB3 . 18555 1 395 . 1 1 38 38 GLN HG2 H 1 2.250 . . 2 . . . . A 38 GLN HG2 . 18555 1 396 . 1 1 38 38 GLN HG3 H 1 2.250 . . 2 . . . . A 38 GLN HG3 . 18555 1 397 . 1 1 38 38 GLN C C 13 174.716 . . 1 . . . . A 38 GLN C . 18555 1 398 . 1 1 38 38 GLN CA C 13 53.597 . . 1 . . . . A 38 GLN CA . 18555 1 399 . 1 1 38 38 GLN CB C 13 31.073 . . 1 . . . . A 38 GLN CB . 18555 1 400 . 1 1 38 38 GLN CG C 13 33.261 . . 1 . . . . A 38 GLN CG . 18555 1 401 . 1 1 38 38 GLN N N 15 120.179 . . 1 . . . . A 38 GLN N . 18555 1 402 . 1 1 39 39 VAL H H 1 8.954 . . 1 . . . . A 39 VAL H . 18555 1 403 . 1 1 39 39 VAL HA H 1 4.744 . . 1 . . . . A 39 VAL HA . 18555 1 404 . 1 1 39 39 VAL HB H 1 1.727 . . 1 . . . . A 39 VAL HB . 18555 1 405 . 1 1 39 39 VAL HG11 H 1 0.770 . . 1 . . . . A 39 VAL HG11 . 18555 1 406 . 1 1 39 39 VAL HG12 H 1 0.770 . . 1 . . . . A 39 VAL HG12 . 18555 1 407 . 1 1 39 39 VAL HG13 H 1 0.770 . . 1 . . . . A 39 VAL HG13 . 18555 1 408 . 1 1 39 39 VAL HG21 H 1 0.726 . . 1 . . . . A 39 VAL HG21 . 18555 1 409 . 1 1 39 39 VAL HG22 H 1 0.726 . . 1 . . . . A 39 VAL HG22 . 18555 1 410 . 1 1 39 39 VAL HG23 H 1 0.726 . . 1 . . . . A 39 VAL HG23 . 18555 1 411 . 1 1 39 39 VAL C C 13 175.554 . . 1 . . . . A 39 VAL C . 18555 1 412 . 1 1 39 39 VAL CA C 13 59.934 . . 1 . . . . A 39 VAL CA . 18555 1 413 . 1 1 39 39 VAL CB C 13 33.949 . . 1 . . . . A 39 VAL CB . 18555 1 414 . 1 1 39 39 VAL CG1 C 13 23.345 . . 1 . . . . A 39 VAL CG1 . 18555 1 415 . 1 1 39 39 VAL CG2 C 13 23.319 . . 1 . . . . A 39 VAL CG2 . 18555 1 416 . 1 1 39 39 VAL N N 15 125.330 . . 1 . . . . A 39 VAL N . 18555 1 417 . 1 1 40 40 ASP H H 1 8.532 . . 1 . . . . A 40 ASP H . 18555 1 418 . 1 1 40 40 ASP HA H 1 4.399 . . 1 . . . . A 40 ASP HA . 18555 1 419 . 1 1 40 40 ASP HB2 H 1 2.828 . . 2 . . . . A 40 ASP HB2 . 18555 1 420 . 1 1 40 40 ASP HB3 H 1 2.489 . . 2 . . . . A 40 ASP HB3 . 18555 1 421 . 1 1 40 40 ASP C C 13 176.931 . . 1 . . . . A 40 ASP C . 18555 1 422 . 1 1 40 40 ASP CA C 13 55.507 . . 1 . . . . A 40 ASP CA . 18555 1 423 . 1 1 40 40 ASP CB C 13 44.275 . . 1 . . . . A 40 ASP CB . 18555 1 424 . 1 1 40 40 ASP N N 15 127.582 . . 1 . . . . A 40 ASP N . 18555 1 425 . 1 1 41 41 ALA H H 1 8.555 . . 1 . . . . A 41 ALA H . 18555 1 426 . 1 1 41 41 ALA HA H 1 4.016 . . 1 . . . . A 41 ALA HA . 18555 1 427 . 1 1 41 41 ALA HB1 H 1 1.520 . . 1 . . . . A 41 ALA HB1 . 18555 1 428 . 1 1 41 41 ALA HB2 H 1 1.520 . . 1 . . . . A 41 ALA HB2 . 18555 1 429 . 1 1 41 41 ALA HB3 H 1 1.520 . . 1 . . . . A 41 ALA HB3 . 18555 1 430 . 1 1 41 41 ALA C C 13 177.239 . . 1 . . . . A 41 ALA C . 18555 1 431 . 1 1 41 41 ALA CA C 13 55.237 . . 1 . . . . A 41 ALA CA . 18555 1 432 . 1 1 41 41 ALA CB C 13 19.047 . . 1 . . . . A 41 ALA CB . 18555 1 433 . 1 1 41 41 ALA N N 15 126.954 . . 1 . . . . A 41 ALA N . 18555 1 434 . 1 1 42 42 ALA H H 1 8.634 . . 1 . . . . A 42 ALA H . 18555 1 435 . 1 1 42 42 ALA HA H 1 4.224 . . 1 . . . . A 42 ALA HA . 18555 1 436 . 1 1 42 42 ALA HB1 H 1 1.347 . . 1 . . . . A 42 ALA HB1 . 18555 1 437 . 1 1 42 42 ALA HB2 H 1 1.347 . . 1 . . . . A 42 ALA HB2 . 18555 1 438 . 1 1 42 42 ALA HB3 H 1 1.347 . . 1 . . . . A 42 ALA HB3 . 18555 1 439 . 1 1 42 42 ALA C C 13 178.115 . . 1 . . . . A 42 ALA C . 18555 1 440 . 1 1 42 42 ALA CA C 13 52.992 . . 1 . . . . A 42 ALA CA . 18555 1 441 . 1 1 42 42 ALA CB C 13 19.127 . . 1 . . . . A 42 ALA CB . 18555 1 442 . 1 1 42 42 ALA N N 15 117.951 . . 1 . . . . A 42 ALA N . 18555 1 443 . 1 1 43 43 LEU H H 1 7.451 . . 1 . . . . A 43 LEU H . 18555 1 444 . 1 1 43 43 LEU HA H 1 4.325 . . 1 . . . . A 43 LEU HA . 18555 1 445 . 1 1 43 43 LEU HB2 H 1 0.885 . . 2 . . . . A 43 LEU HB2 . 18555 1 446 . 1 1 43 43 LEU HB3 H 1 1.393 . . 2 . . . . A 43 LEU HB3 . 18555 1 447 . 1 1 43 43 LEU HG H 1 1.398 . . 1 . . . . A 43 LEU HG . 18555 1 448 . 1 1 43 43 LEU HD11 H 1 0.377 . . 1 . . . . A 43 LEU HD11 . 18555 1 449 . 1 1 43 43 LEU HD12 H 1 0.377 . . 1 . . . . A 43 LEU HD12 . 18555 1 450 . 1 1 43 43 LEU HD13 H 1 0.377 . . 1 . . . . A 43 LEU HD13 . 18555 1 451 . 1 1 43 43 LEU HD21 H 1 0.587 . . 1 . . . . A 43 LEU HD21 . 18555 1 452 . 1 1 43 43 LEU HD22 H 1 0.587 . . 1 . . . . A 43 LEU HD22 . 18555 1 453 . 1 1 43 43 LEU HD23 H 1 0.587 . . 1 . . . . A 43 LEU HD23 . 18555 1 454 . 1 1 43 43 LEU C C 13 175.056 . . 1 . . . . A 43 LEU C . 18555 1 455 . 1 1 43 43 LEU CA C 13 53.521 . . 1 . . . . A 43 LEU CA . 18555 1 456 . 1 1 43 43 LEU CB C 13 43.184 . . 1 . . . . A 43 LEU CB . 18555 1 457 . 1 1 43 43 LEU CG C 13 27.591 . . 1 . . . . A 43 LEU CG . 18555 1 458 . 1 1 43 43 LEU CD1 C 13 24.535 . . 1 . . . . A 43 LEU CD1 . 18555 1 459 . 1 1 43 43 LEU CD2 C 13 22.619 . . 1 . . . . A 43 LEU CD2 . 18555 1 460 . 1 1 43 43 LEU N N 15 118.936 . . 1 . . . . A 43 LEU N . 18555 1 461 . 1 1 44 44 ASP H H 1 8.306 . . 1 . . . . A 44 ASP H . 18555 1 462 . 1 1 44 44 ASP HA H 1 4.711 . . 1 . . . . A 44 ASP HA . 18555 1 463 . 1 1 44 44 ASP HB2 H 1 2.980 . . 2 . . . . A 44 ASP HB2 . 18555 1 464 . 1 1 44 44 ASP HB3 H 1 2.560 . . 2 . . . . A 44 ASP HB3 . 18555 1 465 . 1 1 44 44 ASP C C 13 176.123 . . 1 . . . . A 44 ASP C . 18555 1 466 . 1 1 44 44 ASP CA C 13 52.723 . . 1 . . . . A 44 ASP CA . 18555 1 467 . 1 1 44 44 ASP CB C 13 41.229 . . 1 . . . . A 44 ASP CB . 18555 1 468 . 1 1 44 44 ASP N N 15 120.120 . . 1 . . . . A 44 ASP N . 18555 1 469 . 1 1 45 45 LEU H H 1 8.733 . . 1 . . . . A 45 LEU H . 18555 1 470 . 1 1 45 45 LEU HA H 1 3.549 . . 1 . . . . A 45 LEU HA . 18555 1 471 . 1 1 45 45 LEU HB2 H 1 1.480 . . 2 . . . . A 45 LEU HB2 . 18555 1 472 . 1 1 45 45 LEU HB3 H 1 1.257 . . 2 . . . . A 45 LEU HB3 . 18555 1 473 . 1 1 45 45 LEU HG H 1 1.211 . . 1 . . . . A 45 LEU HG . 18555 1 474 . 1 1 45 45 LEU HD11 H 1 0.659 . . 1 . . . . A 45 LEU HD11 . 18555 1 475 . 1 1 45 45 LEU HD12 H 1 0.659 . . 1 . . . . A 45 LEU HD12 . 18555 1 476 . 1 1 45 45 LEU HD13 H 1 0.659 . . 1 . . . . A 45 LEU HD13 . 18555 1 477 . 1 1 45 45 LEU HD21 H 1 0.634 . . 1 . . . . A 45 LEU HD21 . 18555 1 478 . 1 1 45 45 LEU HD22 H 1 0.634 . . 1 . . . . A 45 LEU HD22 . 18555 1 479 . 1 1 45 45 LEU HD23 H 1 0.634 . . 1 . . . . A 45 LEU HD23 . 18555 1 480 . 1 1 45 45 LEU C C 13 176.697 . . 1 . . . . A 45 LEU C . 18555 1 481 . 1 1 45 45 LEU CA C 13 58.606 . . 1 . . . . A 45 LEU CA . 18555 1 482 . 1 1 45 45 LEU CB C 13 43.166 . . 1 . . . . A 45 LEU CB . 18555 1 483 . 1 1 45 45 LEU CG C 13 26.498 . . 1 . . . . A 45 LEU CG . 18555 1 484 . 1 1 45 45 LEU CD1 C 13 26.452 . . 1 . . . . A 45 LEU CD1 . 18555 1 485 . 1 1 45 45 LEU CD2 C 13 24.018 . . 1 . . . . A 45 LEU CD2 . 18555 1 486 . 1 1 45 45 LEU N N 15 127.833 . . 1 . . . . A 45 LEU N . 18555 1 487 . 1 1 46 46 VAL H H 1 7.733 . . 1 . . . . A 46 VAL H . 18555 1 488 . 1 1 46 46 VAL HA H 1 3.120 . . 1 . . . . A 46 VAL HA . 18555 1 489 . 1 1 46 46 VAL HB H 1 1.740 . . 1 . . . . A 46 VAL HB . 18555 1 490 . 1 1 46 46 VAL HG11 H 1 0.140 . . 1 . . . . A 46 VAL HG11 . 18555 1 491 . 1 1 46 46 VAL HG12 H 1 0.140 . . 1 . . . . A 46 VAL HG12 . 18555 1 492 . 1 1 46 46 VAL HG13 H 1 0.140 . . 1 . . . . A 46 VAL HG13 . 18555 1 493 . 1 1 46 46 VAL HG21 H 1 0.678 . . 1 . . . . A 46 VAL HG21 . 18555 1 494 . 1 1 46 46 VAL HG22 H 1 0.678 . . 1 . . . . A 46 VAL HG22 . 18555 1 495 . 1 1 46 46 VAL HG23 H 1 0.678 . . 1 . . . . A 46 VAL HG23 . 18555 1 496 . 1 1 46 46 VAL C C 13 177.100 . . 1 . . . . A 46 VAL C . 18555 1 497 . 1 1 46 46 VAL CA C 13 66.010 . . 1 . . . . A 46 VAL CA . 18555 1 498 . 1 1 46 46 VAL CB C 13 30.410 . . 1 . . . . A 46 VAL CB . 18555 1 499 . 1 1 46 46 VAL CG1 C 13 22.100 . . 1 . . . . A 46 VAL CG1 . 18555 1 500 . 1 1 46 46 VAL CG2 C 13 23.410 . . 1 . . . . A 46 VAL CG2 . 18555 1 501 . 1 1 46 46 VAL N N 15 116.446 . . 1 . . . . A 46 VAL N . 18555 1 502 . 1 1 47 47 GLU H H 1 7.278 . . 1 . . . . A 47 GLU H . 18555 1 503 . 1 1 47 47 GLU HA H 1 4.175 . . 1 . . . . A 47 GLU HA . 18555 1 504 . 1 1 47 47 GLU HB2 H 1 2.035 . . 2 . . . . A 47 GLU HB2 . 18555 1 505 . 1 1 47 47 GLU HB3 H 1 1.929 . . 2 . . . . A 47 GLU HB3 . 18555 1 506 . 1 1 47 47 GLU HG2 H 1 2.672 . . 2 . . . . A 47 GLU HG2 . 18555 1 507 . 1 1 47 47 GLU HG3 H 1 2.406 . . 2 . . . . A 47 GLU HG3 . 18555 1 508 . 1 1 47 47 GLU C C 13 179.886 . . 1 . . . . A 47 GLU C . 18555 1 509 . 1 1 47 47 GLU CA C 13 59.119 . . 1 . . . . A 47 GLU CA . 18555 1 510 . 1 1 47 47 GLU CB C 13 30.131 . . 1 . . . . A 47 GLU CB . 18555 1 511 . 1 1 47 47 GLU CG C 13 36.020 . . 1 . . . . A 47 GLU CG . 18555 1 512 . 1 1 47 47 GLU N N 15 122.500 . . 1 . . . . A 47 GLU N . 18555 1 513 . 1 1 48 48 VAL H H 1 7.665 . . 1 . . . . A 48 VAL H . 18555 1 514 . 1 1 48 48 VAL HA H 1 3.752 . . 1 . . . . A 48 VAL HA . 18555 1 515 . 1 1 48 48 VAL HB H 1 1.745 . . 1 . . . . A 48 VAL HB . 18555 1 516 . 1 1 48 48 VAL HG11 H 1 0.556 . . 1 . . . . A 48 VAL HG11 . 18555 1 517 . 1 1 48 48 VAL HG12 H 1 0.556 . . 1 . . . . A 48 VAL HG12 . 18555 1 518 . 1 1 48 48 VAL HG13 H 1 0.556 . . 1 . . . . A 48 VAL HG13 . 18555 1 519 . 1 1 48 48 VAL HG21 H 1 -0.290 . . 1 . . . . A 48 VAL HG21 . 18555 1 520 . 1 1 48 48 VAL HG22 H 1 -0.290 . . 1 . . . . A 48 VAL HG22 . 18555 1 521 . 1 1 48 48 VAL HG23 H 1 -0.290 . . 1 . . . . A 48 VAL HG23 . 18555 1 522 . 1 1 48 48 VAL C C 13 177.786 . . 1 . . . . A 48 VAL C . 18555 1 523 . 1 1 48 48 VAL CA C 13 65.118 . . 1 . . . . A 48 VAL CA . 18555 1 524 . 1 1 48 48 VAL CB C 13 30.679 . . 1 . . . . A 48 VAL CB . 18555 1 525 . 1 1 48 48 VAL CG1 C 13 21.465 . . 1 . . . . A 48 VAL CG1 . 18555 1 526 . 1 1 48 48 VAL CG2 C 13 19.991 . . 1 . . . . A 48 VAL CG2 . 18555 1 527 . 1 1 48 48 VAL N N 15 120.348 . . 1 . . . . A 48 VAL N . 18555 1 528 . 1 1 49 49 ALA H H 1 8.291 . . 1 . . . . A 49 ALA H . 18555 1 529 . 1 1 49 49 ALA HA H 1 3.860 . . 1 . . . . A 49 ALA HA . 18555 1 530 . 1 1 49 49 ALA HB1 H 1 1.313 . . 1 . . . . A 49 ALA HB1 . 18555 1 531 . 1 1 49 49 ALA HB2 H 1 1.313 . . 1 . . . . A 49 ALA HB2 . 18555 1 532 . 1 1 49 49 ALA HB3 H 1 1.313 . . 1 . . . . A 49 ALA HB3 . 18555 1 533 . 1 1 49 49 ALA C C 13 178.405 . . 1 . . . . A 49 ALA C . 18555 1 534 . 1 1 49 49 ALA CA C 13 55.614 . . 1 . . . . A 49 ALA CA . 18555 1 535 . 1 1 49 49 ALA CB C 13 18.521 . . 1 . . . . A 49 ALA CB . 18555 1 536 . 1 1 49 49 ALA N N 15 121.665 . . 1 . . . . A 49 ALA N . 18555 1 537 . 1 1 50 50 GLU H H 1 8.873 . . 1 . . . . A 50 GLU H . 18555 1 538 . 1 1 50 50 GLU HA H 1 3.647 . . 1 . . . . A 50 GLU HA . 18555 1 539 . 1 1 50 50 GLU HB2 H 1 2.003 . . 2 . . . . A 50 GLU HB2 . 18555 1 540 . 1 1 50 50 GLU HB3 H 1 1.928 . . 2 . . . . A 50 GLU HB3 . 18555 1 541 . 1 1 50 50 GLU HG2 H 1 2.266 . . 2 . . . . A 50 GLU HG2 . 18555 1 542 . 1 1 50 50 GLU HG3 H 1 2.193 . . 2 . . . . A 50 GLU HG3 . 18555 1 543 . 1 1 50 50 GLU C C 13 176.394 . . 1 . . . . A 50 GLU C . 18555 1 544 . 1 1 50 50 GLU CA C 13 59.733 . . 1 . . . . A 50 GLU CA . 18555 1 545 . 1 1 50 50 GLU CB C 13 29.340 . . 1 . . . . A 50 GLU CB . 18555 1 546 . 1 1 50 50 GLU CG C 13 36.635 . . 1 . . . . A 50 GLU CG . 18555 1 547 . 1 1 50 50 GLU N N 15 118.956 . . 1 . . . . A 50 GLU N . 18555 1 548 . 1 1 51 51 ALA H H 1 7.886 . . 1 . . . . A 51 ALA H . 18555 1 549 . 1 1 51 51 ALA HA H 1 4.382 . . 1 . . . . A 51 ALA HA . 18555 1 550 . 1 1 51 51 ALA HB1 H 1 1.916 . . 1 . . . . A 51 ALA HB1 . 18555 1 551 . 1 1 51 51 ALA HB2 H 1 1.916 . . 1 . . . . A 51 ALA HB2 . 18555 1 552 . 1 1 51 51 ALA HB3 H 1 1.916 . . 1 . . . . A 51 ALA HB3 . 18555 1 553 . 1 1 51 51 ALA C C 13 179.952 . . 1 . . . . A 51 ALA C . 18555 1 554 . 1 1 51 51 ALA CA C 13 54.898 . . 1 . . . . A 51 ALA CA . 18555 1 555 . 1 1 51 51 ALA CB C 13 19.532 . . 1 . . . . A 51 ALA CB . 18555 1 556 . 1 1 51 51 ALA N N 15 123.190 . . 1 . . . . A 51 ALA N . 18555 1 557 . 1 1 52 52 LEU H H 1 8.205 . . 1 . . . . A 52 LEU H . 18555 1 558 . 1 1 52 52 LEU HA H 1 4.068 . . 1 . . . . A 52 LEU HA . 18555 1 559 . 1 1 52 52 LEU HB2 H 1 1.910 . . 2 . . . . A 52 LEU HB2 . 18555 1 560 . 1 1 52 52 LEU HB3 H 1 1.910 . . 2 . . . . A 52 LEU HB3 . 18555 1 561 . 1 1 52 52 LEU HG H 1 1.616 . . 1 . . . . A 52 LEU HG . 18555 1 562 . 1 1 52 52 LEU HD11 H 1 0.551 . . 1 . . . . A 52 LEU HD11 . 18555 1 563 . 1 1 52 52 LEU HD12 H 1 0.551 . . 1 . . . . A 52 LEU HD12 . 18555 1 564 . 1 1 52 52 LEU HD13 H 1 0.551 . . 1 . . . . A 52 LEU HD13 . 18555 1 565 . 1 1 52 52 LEU HD21 H 1 0.513 . . 1 . . . . A 52 LEU HD21 . 18555 1 566 . 1 1 52 52 LEU HD22 H 1 0.513 . . 1 . . . . A 52 LEU HD22 . 18555 1 567 . 1 1 52 52 LEU HD23 H 1 0.513 . . 1 . . . . A 52 LEU HD23 . 18555 1 568 . 1 1 52 52 LEU C C 13 180.430 . . 1 . . . . A 52 LEU C . 18555 1 569 . 1 1 52 52 LEU CA C 13 57.727 . . 1 . . . . A 52 LEU CA . 18555 1 570 . 1 1 52 52 LEU CB C 13 42.570 . . 1 . . . . A 52 LEU CB . 18555 1 571 . 1 1 52 52 LEU CG C 13 26.950 . . 1 . . . . A 52 LEU CG . 18555 1 572 . 1 1 52 52 LEU CD1 C 13 26.843 . . 1 . . . . A 52 LEU CD1 . 18555 1 573 . 1 1 52 52 LEU CD2 C 13 23.590 . . 1 . . . . A 52 LEU CD2 . 18555 1 574 . 1 1 52 52 LEU N N 15 118.680 . . 1 . . . . A 52 LEU N . 18555 1 575 . 1 1 53 53 ALA H H 1 8.953 . . 1 . . . . A 53 ALA H . 18555 1 576 . 1 1 53 53 ALA HA H 1 4.081 . . 1 . . . . A 53 ALA HA . 18555 1 577 . 1 1 53 53 ALA HB1 H 1 1.520 . . 1 . . . . A 53 ALA HB1 . 18555 1 578 . 1 1 53 53 ALA HB2 H 1 1.520 . . 1 . . . . A 53 ALA HB2 . 18555 1 579 . 1 1 53 53 ALA HB3 H 1 1.520 . . 1 . . . . A 53 ALA HB3 . 18555 1 580 . 1 1 53 53 ALA C C 13 179.294 . . 1 . . . . A 53 ALA C . 18555 1 581 . 1 1 53 53 ALA CA C 13 54.590 . . 1 . . . . A 53 ALA CA . 18555 1 582 . 1 1 53 53 ALA CB C 13 18.905 . . 1 . . . . A 53 ALA CB . 18555 1 583 . 1 1 53 53 ALA N N 15 123.133 . . 1 . . . . A 53 ALA N . 18555 1 584 . 1 1 54 54 GLY H H 1 8.087 . . 1 . . . . A 54 GLY H . 18555 1 585 . 1 1 54 54 GLY HA2 H 1 4.245 . . 2 . . . . A 54 GLY HA2 . 18555 1 586 . 1 1 54 54 GLY HA3 H 1 3.724 . . 2 . . . . A 54 GLY HA3 . 18555 1 587 . 1 1 54 54 GLY C C 13 173.638 . . 1 . . . . A 54 GLY C . 18555 1 588 . 1 1 54 54 GLY CA C 13 44.566 . . 1 . . . . A 54 GLY CA . 18555 1 589 . 1 1 54 54 GLY N N 15 104.381 . . 1 . . . . A 54 GLY N . 18555 1 590 . 1 1 55 55 ASP H H 1 7.760 . . 1 . . . . A 55 ASP H . 18555 1 591 . 1 1 55 55 ASP HA H 1 4.365 . . 1 . . . . A 55 ASP HA . 18555 1 592 . 1 1 55 55 ASP HB2 H 1 3.163 . . 2 . . . . A 55 ASP HB2 . 18555 1 593 . 1 1 55 55 ASP HB3 H 1 2.453 . . 2 . . . . A 55 ASP HB3 . 18555 1 594 . 1 1 55 55 ASP C C 13 178.975 . . 1 . . . . A 55 ASP C . 18555 1 595 . 1 1 55 55 ASP CA C 13 55.065 . . 1 . . . . A 55 ASP CA . 18555 1 596 . 1 1 55 55 ASP CB C 13 40.080 . . 1 . . . . A 55 ASP CB . 18555 1 597 . 1 1 55 55 ASP N N 15 119.744 . . 1 . . . . A 55 ASP N . 18555 1 598 . 1 1 56 56 ASP H H 1 8.684 . . 1 . . . . A 56 ASP H . 18555 1 599 . 1 1 56 56 ASP HA H 1 4.746 . . 1 . . . . A 56 ASP HA . 18555 1 600 . 1 1 56 56 ASP HB2 H 1 2.476 . . 2 . . . . A 56 ASP HB2 . 18555 1 601 . 1 1 56 56 ASP HB3 H 1 2.986 . . 2 . . . . A 56 ASP HB3 . 18555 1 602 . 1 1 56 56 ASP C C 13 179.003 . . 1 . . . . A 56 ASP C . 18555 1 603 . 1 1 56 56 ASP CA C 13 52.563 . . 1 . . . . A 56 ASP CA . 18555 1 604 . 1 1 56 56 ASP CB C 13 38.909 . . 1 . . . . A 56 ASP CB . 18555 1 605 . 1 1 56 56 ASP N N 15 119.260 . . 1 . . . . A 56 ASP N . 18555 1 606 . 1 1 57 57 ARG H H 1 7.869 . . 1 . . . . A 57 ARG H . 18555 1 607 . 1 1 57 57 ARG HA H 1 3.809 . . 1 . . . . A 57 ARG HA . 18555 1 608 . 1 1 57 57 ARG HB2 H 1 1.845 . . 2 . . . . A 57 ARG HB2 . 18555 1 609 . 1 1 57 57 ARG HB3 H 1 1.809 . . 2 . . . . A 57 ARG HB3 . 18555 1 610 . 1 1 57 57 ARG C C 13 175.104 . . 1 . . . . A 57 ARG C . 18555 1 611 . 1 1 57 57 ARG CA C 13 59.174 . . 1 . . . . A 57 ARG CA . 18555 1 612 . 1 1 57 57 ARG CB C 13 30.159 . . 1 . . . . A 57 ARG CB . 18555 1 613 . 1 1 57 57 ARG N N 15 123.215 . . 1 . . . . A 57 ARG N . 18555 1 614 . 1 1 58 58 GLU H H 1 8.661 . . 1 . . . . A 58 GLU H . 18555 1 615 . 1 1 58 58 GLU HA H 1 3.974 . . 1 . . . . A 58 GLU HA . 18555 1 616 . 1 1 58 58 GLU HB2 H 1 1.968 . . 2 . . . . A 58 GLU HB2 . 18555 1 617 . 1 1 58 58 GLU HB3 H 1 1.968 . . 2 . . . . A 58 GLU HB3 . 18555 1 618 . 1 1 58 58 GLU HG2 H 1 2.275 . . 2 . . . . A 58 GLU HG2 . 18555 1 619 . 1 1 58 58 GLU HG3 H 1 2.208 . . 2 . . . . A 58 GLU HG3 . 18555 1 620 . 1 1 58 58 GLU C C 13 179.310 . . 1 . . . . A 58 GLU C . 18555 1 621 . 1 1 58 58 GLU CA C 13 59.427 . . 1 . . . . A 58 GLU CA . 18555 1 622 . 1 1 58 58 GLU CB C 13 29.138 . . 1 . . . . A 58 GLU CB . 18555 1 623 . 1 1 58 58 GLU CG C 13 36.510 . . 1 . . . . A 58 GLU CG . 18555 1 624 . 1 1 58 58 GLU N N 15 118.991 . . 1 . . . . A 58 GLU N . 18555 1 625 . 1 1 59 59 LYS H H 1 7.245 . . 1 . . . . A 59 LYS H . 18555 1 626 . 1 1 59 59 LYS HA H 1 3.484 . . 1 . . . . A 59 LYS HA . 18555 1 627 . 1 1 59 59 LYS HB2 H 1 1.301 . . 2 . . . . A 59 LYS HB2 . 18555 1 628 . 1 1 59 59 LYS HB3 H 1 0.804 . . 2 . . . . A 59 LYS HB3 . 18555 1 629 . 1 1 59 59 LYS HG2 H 1 1.130 . . 2 . . . . A 59 LYS HG2 . 18555 1 630 . 1 1 59 59 LYS HG3 H 1 1.100 . . 2 . . . . A 59 LYS HG3 . 18555 1 631 . 1 1 59 59 LYS HD2 H 1 1.480 . . 2 . . . . A 59 LYS HD2 . 18555 1 632 . 1 1 59 59 LYS HD3 H 1 1.480 . . 2 . . . . A 59 LYS HD3 . 18555 1 633 . 1 1 59 59 LYS HE2 H 1 2.890 . . 2 . . . . A 59 LYS HE2 . 18555 1 634 . 1 1 59 59 LYS HE3 H 1 2.830 . . 2 . . . . A 59 LYS HE3 . 18555 1 635 . 1 1 59 59 LYS C C 13 178.147 . . 1 . . . . A 59 LYS C . 18555 1 636 . 1 1 59 59 LYS CA C 13 59.430 . . 1 . . . . A 59 LYS CA . 18555 1 637 . 1 1 59 59 LYS CB C 13 32.788 . . 1 . . . . A 59 LYS CB . 18555 1 638 . 1 1 59 59 LYS CG C 13 25.230 . . 1 . . . . A 59 LYS CG . 18555 1 639 . 1 1 59 59 LYS CD C 13 29.640 . . 1 . . . . A 59 LYS CD . 18555 1 640 . 1 1 59 59 LYS CE C 13 41.740 . . 1 . . . . A 59 LYS CE . 18555 1 641 . 1 1 59 59 LYS N N 15 120.234 . . 1 . . . . A 59 LYS N . 18555 1 642 . 1 1 60 60 VAL H H 1 7.445 . . 1 . . . . A 60 VAL H . 18555 1 643 . 1 1 60 60 VAL HA H 1 3.665 . . 1 . . . . A 60 VAL HA . 18555 1 644 . 1 1 60 60 VAL HB H 1 1.908 . . 1 . . . . A 60 VAL HB . 18555 1 645 . 1 1 60 60 VAL HG11 H 1 0.836 . . 1 . . . . A 60 VAL HG11 . 18555 1 646 . 1 1 60 60 VAL HG12 H 1 0.836 . . 1 . . . . A 60 VAL HG12 . 18555 1 647 . 1 1 60 60 VAL HG13 H 1 0.836 . . 1 . . . . A 60 VAL HG13 . 18555 1 648 . 1 1 60 60 VAL HG21 H 1 0.970 . . 1 . . . . A 60 VAL HG21 . 18555 1 649 . 1 1 60 60 VAL HG22 H 1 0.970 . . 1 . . . . A 60 VAL HG22 . 18555 1 650 . 1 1 60 60 VAL HG23 H 1 0.970 . . 1 . . . . A 60 VAL HG23 . 18555 1 651 . 1 1 60 60 VAL C C 13 177.446 . . 1 . . . . A 60 VAL C . 18555 1 652 . 1 1 60 60 VAL CA C 13 67.128 . . 1 . . . . A 60 VAL CA . 18555 1 653 . 1 1 60 60 VAL CB C 13 32.117 . . 1 . . . . A 60 VAL CB . 18555 1 654 . 1 1 60 60 VAL CG1 C 13 21.058 . . 1 . . . . A 60 VAL CG1 . 18555 1 655 . 1 1 60 60 VAL CG2 C 13 23.460 . . 1 . . . . A 60 VAL CG2 . 18555 1 656 . 1 1 60 60 VAL N N 15 117.107 . . 1 . . . . A 60 VAL N . 18555 1 657 . 1 1 61 61 ALA H H 1 8.182 . . 1 . . . . A 61 ALA H . 18555 1 658 . 1 1 61 61 ALA HA H 1 4.027 . . 1 . . . . A 61 ALA HA . 18555 1 659 . 1 1 61 61 ALA HB1 H 1 1.434 . . 1 . . . . A 61 ALA HB1 . 18555 1 660 . 1 1 61 61 ALA HB2 H 1 1.434 . . 1 . . . . A 61 ALA HB2 . 18555 1 661 . 1 1 61 61 ALA HB3 H 1 1.434 . . 1 . . . . A 61 ALA HB3 . 18555 1 662 . 1 1 61 61 ALA C C 13 180.561 . . 1 . . . . A 61 ALA C . 18555 1 663 . 1 1 61 61 ALA CA C 13 55.190 . . 1 . . . . A 61 ALA CA . 18555 1 664 . 1 1 61 61 ALA CB C 13 18.070 . . 1 . . . . A 61 ALA CB . 18555 1 665 . 1 1 61 61 ALA N N 15 119.637 . . 1 . . . . A 61 ALA N . 18555 1 666 . 1 1 62 62 ALA H H 1 7.281 . . 1 . . . . A 62 ALA H . 18555 1 667 . 1 1 62 62 ALA HA H 1 4.145 . . 1 . . . . A 62 ALA HA . 18555 1 668 . 1 1 62 62 ALA HB1 H 1 1.269 . . 1 . . . . A 62 ALA HB1 . 18555 1 669 . 1 1 62 62 ALA HB2 H 1 1.269 . . 1 . . . . A 62 ALA HB2 . 18555 1 670 . 1 1 62 62 ALA HB3 H 1 1.269 . . 1 . . . . A 62 ALA HB3 . 18555 1 671 . 1 1 62 62 ALA C C 13 181.700 . . 1 . . . . A 62 ALA C . 18555 1 672 . 1 1 62 62 ALA CA C 13 54.911 . . 1 . . . . A 62 ALA CA . 18555 1 673 . 1 1 62 62 ALA CB C 13 17.703 . . 1 . . . . A 62 ALA CB . 18555 1 674 . 1 1 62 62 ALA N N 15 120.437 . . 1 . . . . A 62 ALA N . 18555 1 675 . 1 1 63 63 TRP H H 1 7.839 . . 1 . . . . A 63 TRP H . 18555 1 676 . 1 1 63 63 TRP HA H 1 4.838 . . 1 . . . . A 63 TRP HA . 18555 1 677 . 1 1 63 63 TRP HB2 H 1 3.326 . . 2 . . . . A 63 TRP HB2 . 18555 1 678 . 1 1 63 63 TRP HB3 H 1 2.993 . . 2 . . . . A 63 TRP HB3 . 18555 1 679 . 1 1 63 63 TRP HD1 H 1 7.294 . . 1 . . . . A 63 TRP HD1 . 18555 1 680 . 1 1 63 63 TRP HE1 H 1 10.280 . . 1 . . . . A 63 TRP HE1 . 18555 1 681 . 1 1 63 63 TRP HE3 H 1 7.236 . . 2 . . . . A 63 TRP HE3 . 18555 1 682 . 1 1 63 63 TRP HZ2 H 1 7.428 . . 2 . . . . A 63 TRP HZ2 . 18555 1 683 . 1 1 63 63 TRP HZ3 H 1 7.069 . . 2 . . . . A 63 TRP HZ3 . 18555 1 684 . 1 1 63 63 TRP HH2 H 1 7.180 . . 2 . . . . A 63 TRP HH2 . 18555 1 685 . 1 1 63 63 TRP C C 13 179.779 . . 1 . . . . A 63 TRP C . 18555 1 686 . 1 1 63 63 TRP CA C 13 59.810 . . 1 . . . . A 63 TRP CA . 18555 1 687 . 1 1 63 63 TRP CB C 13 28.600 . . 1 . . . . A 63 TRP CB . 18555 1 688 . 1 1 63 63 TRP CD1 C 13 125.076 . . 1 . . . . A 63 TRP CD1 . 18555 1 689 . 1 1 63 63 TRP CE3 C 13 120.200 . . 1 . . . . A 63 TRP CE3 . 18555 1 690 . 1 1 63 63 TRP CZ2 C 13 114.213 . . 1 . . . . A 63 TRP CZ2 . 18555 1 691 . 1 1 63 63 TRP CZ3 C 13 124.467 . . 1 . . . . A 63 TRP CZ3 . 18555 1 692 . 1 1 63 63 TRP CH2 C 13 124.135 . . 1 . . . . A 63 TRP CH2 . 18555 1 693 . 1 1 63 63 TRP N N 15 120.448 . . 1 . . . . A 63 TRP N . 18555 1 694 . 1 1 63 63 TRP NE1 N 15 130.450 . . 1 . . . . A 63 TRP NE1 . 18555 1 695 . 1 1 64 64 LEU H H 1 8.713 . . 1 . . . . A 64 LEU H . 18555 1 696 . 1 1 64 64 LEU HA H 1 4.612 . . 1 . . . . A 64 LEU HA . 18555 1 697 . 1 1 64 64 LEU HB2 H 1 1.932 . . 2 . . . . A 64 LEU HB2 . 18555 1 698 . 1 1 64 64 LEU HB3 H 1 1.528 . . 2 . . . . A 64 LEU HB3 . 18555 1 699 . 1 1 64 64 LEU HG H 1 1.540 . . 1 . . . . A 64 LEU HG . 18555 1 700 . 1 1 64 64 LEU HD11 H 1 0.790 . . 1 . . . . A 64 LEU HD11 . 18555 1 701 . 1 1 64 64 LEU HD12 H 1 0.790 . . 1 . . . . A 64 LEU HD12 . 18555 1 702 . 1 1 64 64 LEU HD13 H 1 0.790 . . 1 . . . . A 64 LEU HD13 . 18555 1 703 . 1 1 64 64 LEU HD21 H 1 0.730 . . 1 . . . . A 64 LEU HD21 . 18555 1 704 . 1 1 64 64 LEU HD22 H 1 0.730 . . 1 . . . . A 64 LEU HD22 . 18555 1 705 . 1 1 64 64 LEU HD23 H 1 0.730 . . 1 . . . . A 64 LEU HD23 . 18555 1 706 . 1 1 64 64 LEU C C 13 180.767 . . 1 . . . . A 64 LEU C . 18555 1 707 . 1 1 64 64 LEU CA C 13 57.566 . . 1 . . . . A 64 LEU CA . 18555 1 708 . 1 1 64 64 LEU CB C 13 42.429 . . 1 . . . . A 64 LEU CB . 18555 1 709 . 1 1 64 64 LEU CG C 13 27.050 . . 1 . . . . A 64 LEU CG . 18555 1 710 . 1 1 64 64 LEU CD1 C 13 26.090 . . 1 . . . . A 64 LEU CD1 . 18555 1 711 . 1 1 64 64 LEU CD2 C 13 22.540 . . 1 . . . . A 64 LEU CD2 . 18555 1 712 . 1 1 64 64 LEU N N 15 120.733 . . 1 . . . . A 64 LEU N . 18555 1 713 . 1 1 65 65 SER H H 1 8.258 . . 1 . . . . A 65 SER H . 18555 1 714 . 1 1 65 65 SER HA H 1 4.335 . . 1 . . . . A 65 SER HA . 18555 1 715 . 1 1 65 65 SER HB2 H 1 3.983 . . 2 . . . . A 65 SER HB2 . 18555 1 716 . 1 1 65 65 SER HB3 H 1 3.983 . . 2 . . . . A 65 SER HB3 . 18555 1 717 . 1 1 65 65 SER C C 13 176.521 . . 1 . . . . A 65 SER C . 18555 1 718 . 1 1 65 65 SER CA C 13 60.559 . . 1 . . . . A 65 SER CA . 18555 1 719 . 1 1 65 65 SER CB C 13 63.010 . . 1 . . . . A 65 SER CB . 18555 1 720 . 1 1 65 65 SER N N 15 114.304 . . 1 . . . . A 65 SER N . 18555 1 721 . 1 1 66 66 GLY H H 1 8.019 . . 1 . . . . A 66 GLY H . 18555 1 722 . 1 1 66 66 GLY HA2 H 1 4.284 . . 2 . . . . A 66 GLY HA2 . 18555 1 723 . 1 1 66 66 GLY HA3 H 1 3.988 . . 2 . . . . A 66 GLY HA3 . 18555 1 724 . 1 1 66 66 GLY C C 13 174.999 . . 1 . . . . A 66 GLY C . 18555 1 725 . 1 1 66 66 GLY CA C 13 45.569 . . 1 . . . . A 66 GLY CA . 18555 1 726 . 1 1 66 66 GLY N N 15 106.888 . . 1 . . . . A 66 GLY N . 18555 1 727 . 1 1 67 67 GLY H H 1 7.645 . . 1 . . . . A 67 GLY H . 18555 1 728 . 1 1 67 67 GLY HA2 H 1 4.355 . . 2 . . . . A 67 GLY HA2 . 18555 1 729 . 1 1 67 67 GLY HA3 H 1 3.881 . . 2 . . . . A 67 GLY HA3 . 18555 1 730 . 1 1 67 67 GLY C C 13 174.459 . . 1 . . . . A 67 GLY C . 18555 1 731 . 1 1 67 67 GLY CA C 13 45.328 . . 1 . . . . A 67 GLY CA . 18555 1 732 . 1 1 67 67 GLY N N 15 107.573 . . 1 . . . . A 67 GLY N . 18555 1 733 . 1 1 68 68 GLY H H 1 8.681 . . 1 . . . . A 68 GLY H . 18555 1 734 . 1 1 68 68 GLY HA2 H 1 3.873 . . 2 . . . . A 68 GLY HA2 . 18555 1 735 . 1 1 68 68 GLY HA3 H 1 3.804 . . 2 . . . . A 68 GLY HA3 . 18555 1 736 . 1 1 68 68 GLY C C 13 171.774 . . 1 . . . . A 68 GLY C . 18555 1 737 . 1 1 68 68 GLY CA C 13 46.596 . . 1 . . . . A 68 GLY CA . 18555 1 738 . 1 1 68 68 GLY N N 15 110.780 . . 1 . . . . A 68 GLY N . 18555 1 739 . 1 1 69 69 LEU H H 1 7.146 . . 1 . . . . A 69 LEU H . 18555 1 740 . 1 1 69 69 LEU HA H 1 5.170 . . 1 . . . . A 69 LEU HA . 18555 1 741 . 1 1 69 69 LEU HB2 H 1 1.484 . . 2 . . . . A 69 LEU HB2 . 18555 1 742 . 1 1 69 69 LEU HB3 H 1 0.983 . . 2 . . . . A 69 LEU HB3 . 18555 1 743 . 1 1 69 69 LEU HG H 1 1.280 . . 1 . . . . A 69 LEU HG . 18555 1 744 . 1 1 69 69 LEU HD11 H 1 0.779 . . 1 . . . . A 69 LEU HD11 . 18555 1 745 . 1 1 69 69 LEU HD12 H 1 0.779 . . 1 . . . . A 69 LEU HD12 . 18555 1 746 . 1 1 69 69 LEU HD13 H 1 0.779 . . 1 . . . . A 69 LEU HD13 . 18555 1 747 . 1 1 69 69 LEU HD21 H 1 0.742 . . 1 . . . . A 69 LEU HD21 . 18555 1 748 . 1 1 69 69 LEU HD22 H 1 0.742 . . 1 . . . . A 69 LEU HD22 . 18555 1 749 . 1 1 69 69 LEU HD23 H 1 0.742 . . 1 . . . . A 69 LEU HD23 . 18555 1 750 . 1 1 69 69 LEU C C 13 174.514 . . 1 . . . . A 69 LEU C . 18555 1 751 . 1 1 69 69 LEU CA C 13 52.663 . . 1 . . . . A 69 LEU CA . 18555 1 752 . 1 1 69 69 LEU CB C 13 47.652 . . 1 . . . . A 69 LEU CB . 18555 1 753 . 1 1 69 69 LEU CG C 13 27.180 . . 1 . . . . A 69 LEU CG . 18555 1 754 . 1 1 69 69 LEU CD1 C 13 26.340 . . 1 . . . . A 69 LEU CD1 . 18555 1 755 . 1 1 69 69 LEU CD2 C 13 24.863 . . 1 . . . . A 69 LEU CD2 . 18555 1 756 . 1 1 69 69 LEU N N 15 120.046 . . 1 . . . . A 69 LEU N . 18555 1 757 . 1 1 70 70 SER H H 1 8.727 . . 1 . . . . A 70 SER H . 18555 1 758 . 1 1 70 70 SER HA H 1 4.669 . . 1 . . . . A 70 SER HA . 18555 1 759 . 1 1 70 70 SER HB2 H 1 3.824 . . 2 . . . . A 70 SER HB2 . 18555 1 760 . 1 1 70 70 SER HB3 H 1 3.824 . . 2 . . . . A 70 SER HB3 . 18555 1 761 . 1 1 70 70 SER C C 13 173.062 . . 1 . . . . A 70 SER C . 18555 1 762 . 1 1 70 70 SER CA C 13 56.975 . . 1 . . . . A 70 SER CA . 18555 1 763 . 1 1 70 70 SER CB C 13 65.993 . . 1 . . . . A 70 SER CB . 18555 1 764 . 1 1 70 70 SER N N 15 116.415 . . 1 . . . . A 70 SER N . 18555 1 765 . 1 1 71 71 LYS H H 1 8.814 . . 1 . . . . A 71 LYS H . 18555 1 766 . 1 1 71 71 LYS HA H 1 4.574 . . 1 . . . . A 71 LYS HA . 18555 1 767 . 1 1 71 71 LYS HB2 H 1 1.872 . . 2 . . . . A 71 LYS HB2 . 18555 1 768 . 1 1 71 71 LYS HB3 H 1 1.714 . . 2 . . . . A 71 LYS HB3 . 18555 1 769 . 1 1 71 71 LYS HG2 H 1 1.520 . . 2 . . . . A 71 LYS HG2 . 18555 1 770 . 1 1 71 71 LYS HG3 H 1 1.413 . . 2 . . . . A 71 LYS HG3 . 18555 1 771 . 1 1 71 71 LYS HD2 H 1 1.790 . . 2 . . . . A 71 LYS HD2 . 18555 1 772 . 1 1 71 71 LYS HD3 H 1 1.790 . . 2 . . . . A 71 LYS HD3 . 18555 1 773 . 1 1 71 71 LYS HE2 H 1 3.091 . . 2 . . . . A 71 LYS HE2 . 18555 1 774 . 1 1 71 71 LYS HE3 H 1 3.091 . . 2 . . . . A 71 LYS HE3 . 18555 1 775 . 1 1 71 71 LYS C C 13 177.000 . . 1 . . . . A 71 LYS C . 18555 1 776 . 1 1 71 71 LYS CA C 13 56.892 . . 1 . . . . A 71 LYS CA . 18555 1 777 . 1 1 71 71 LYS CB C 13 32.756 . . 1 . . . . A 71 LYS CB . 18555 1 778 . 1 1 71 71 LYS CG C 13 25.355 . . 1 . . . . A 71 LYS CG . 18555 1 779 . 1 1 71 71 LYS CD C 13 29.477 . . 1 . . . . A 71 LYS CD . 18555 1 780 . 1 1 71 71 LYS CE C 13 42.053 . . 1 . . . . A 71 LYS CE . 18555 1 781 . 1 1 71 71 LYS N N 15 122.681 . . 1 . . . . A 71 LYS N . 18555 1 782 . 1 1 72 72 VAL H H 1 8.071 . . 1 . . . . A 72 VAL H . 18555 1 783 . 1 1 72 72 VAL HA H 1 4.007 . . 1 . . . . A 72 VAL HA . 18555 1 784 . 1 1 72 72 VAL HB H 1 2.294 . . 1 . . . . A 72 VAL HB . 18555 1 785 . 1 1 72 72 VAL HG11 H 1 1.241 . . 1 . . . . A 72 VAL HG11 . 18555 1 786 . 1 1 72 72 VAL HG12 H 1 1.241 . . 1 . . . . A 72 VAL HG12 . 18555 1 787 . 1 1 72 72 VAL HG13 H 1 1.241 . . 1 . . . . A 72 VAL HG13 . 18555 1 788 . 1 1 72 72 VAL HG21 H 1 1.099 . . 1 . . . . A 72 VAL HG21 . 18555 1 789 . 1 1 72 72 VAL HG22 H 1 1.099 . . 1 . . . . A 72 VAL HG22 . 18555 1 790 . 1 1 72 72 VAL HG23 H 1 1.099 . . 1 . . . . A 72 VAL HG23 . 18555 1 791 . 1 1 72 72 VAL C C 13 175.465 . . 1 . . . . A 72 VAL C . 18555 1 792 . 1 1 72 72 VAL CA C 13 64.362 . . 1 . . . . A 72 VAL CA . 18555 1 793 . 1 1 72 72 VAL CB C 13 32.152 . . 1 . . . . A 72 VAL CB . 18555 1 794 . 1 1 72 72 VAL CG1 C 13 21.982 . . 1 . . . . A 72 VAL CG1 . 18555 1 795 . 1 1 72 72 VAL CG2 C 13 23.506 . . 1 . . . . A 72 VAL CG2 . 18555 1 796 . 1 1 72 72 VAL N N 15 126.132 . . 1 . . . . A 72 VAL N . 18555 1 797 . 1 1 73 73 GLY H H 1 8.318 . . 1 . . . . A 73 GLY H . 18555 1 798 . 1 1 73 73 GLY HA2 H 1 4.869 . . 2 . . . . A 73 GLY HA2 . 18555 1 799 . 1 1 73 73 GLY HA3 H 1 4.003 . . 2 . . . . A 73 GLY HA3 . 18555 1 800 . 1 1 73 73 GLY C C 13 174.036 . . 1 . . . . A 73 GLY C . 18555 1 801 . 1 1 73 73 GLY CA C 13 43.828 . . 1 . . . . A 73 GLY CA . 18555 1 802 . 1 1 73 73 GLY N N 15 116.969 . . 1 . . . . A 73 GLY N . 18555 1 803 . 1 1 74 74 GLU H H 1 8.860 . . 1 . . . . A 74 GLU H . 18555 1 804 . 1 1 74 74 GLU HA H 1 4.088 . . 1 . . . . A 74 GLU HA . 18555 1 805 . 1 1 74 74 GLU HB2 H 1 2.142 . . 2 . . . . A 74 GLU HB2 . 18555 1 806 . 1 1 74 74 GLU HB3 H 1 2.142 . . 2 . . . . A 74 GLU HB3 . 18555 1 807 . 1 1 74 74 GLU HG2 H 1 2.463 . . 2 . . . . A 74 GLU HG2 . 18555 1 808 . 1 1 74 74 GLU HG3 H 1 2.463 . . 2 . . . . A 74 GLU HG3 . 18555 1 809 . 1 1 74 74 GLU C C 13 178.768 . . 1 . . . . A 74 GLU C . 18555 1 810 . 1 1 74 74 GLU CA C 13 60.127 . . 1 . . . . A 74 GLU CA . 18555 1 811 . 1 1 74 74 GLU CB C 13 29.939 . . 1 . . . . A 74 GLU CB . 18555 1 812 . 1 1 74 74 GLU CG C 13 36.406 . . 1 . . . . A 74 GLU CG . 18555 1 813 . 1 1 74 74 GLU N N 15 118.475 . . 1 . . . . A 74 GLU N . 18555 1 814 . 1 1 75 75 ASP H H 1 8.594 . . 1 . . . . A 75 ASP H . 18555 1 815 . 1 1 75 75 ASP HA H 1 4.291 . . 1 . . . . A 75 ASP HA . 18555 1 816 . 1 1 75 75 ASP HB2 H 1 2.607 . . 2 . . . . A 75 ASP HB2 . 18555 1 817 . 1 1 75 75 ASP HB3 H 1 2.553 . . 2 . . . . A 75 ASP HB3 . 18555 1 818 . 1 1 75 75 ASP C C 13 178.497 . . 1 . . . . A 75 ASP C . 18555 1 819 . 1 1 75 75 ASP CA C 13 57.233 . . 1 . . . . A 75 ASP CA . 18555 1 820 . 1 1 75 75 ASP CB C 13 39.563 . . 1 . . . . A 75 ASP CB . 18555 1 821 . 1 1 75 75 ASP N N 15 118.388 . . 1 . . . . A 75 ASP N . 18555 1 822 . 1 1 76 76 ALA H H 1 7.828 . . 1 . . . . A 76 ALA H . 18555 1 823 . 1 1 76 76 ALA HA H 1 3.804 . . 1 . . . . A 76 ALA HA . 18555 1 824 . 1 1 76 76 ALA HB1 H 1 1.216 . . 1 . . . . A 76 ALA HB1 . 18555 1 825 . 1 1 76 76 ALA HB2 H 1 1.216 . . 1 . . . . A 76 ALA HB2 . 18555 1 826 . 1 1 76 76 ALA HB3 H 1 1.216 . . 1 . . . . A 76 ALA HB3 . 18555 1 827 . 1 1 76 76 ALA C C 13 178.051 . . 1 . . . . A 76 ALA C . 18555 1 828 . 1 1 76 76 ALA CA C 13 53.986 . . 1 . . . . A 76 ALA CA . 18555 1 829 . 1 1 76 76 ALA CB C 13 18.406 . . 1 . . . . A 76 ALA CB . 18555 1 830 . 1 1 76 76 ALA N N 15 124.854 . . 1 . . . . A 76 ALA N . 18555 1 831 . 1 1 77 77 ALA H H 1 7.956 . . 1 . . . . A 77 ALA H . 18555 1 832 . 1 1 77 77 ALA HA H 1 3.132 . . 1 . . . . A 77 ALA HA . 18555 1 833 . 1 1 77 77 ALA HB1 H 1 0.856 . . 1 . . . . A 77 ALA HB1 . 18555 1 834 . 1 1 77 77 ALA HB2 H 1 0.856 . . 1 . . . . A 77 ALA HB2 . 18555 1 835 . 1 1 77 77 ALA HB3 H 1 0.856 . . 1 . . . . A 77 ALA HB3 . 18555 1 836 . 1 1 77 77 ALA C C 13 179.046 . . 1 . . . . A 77 ALA C . 18555 1 837 . 1 1 77 77 ALA CA C 13 54.943 . . 1 . . . . A 77 ALA CA . 18555 1 838 . 1 1 77 77 ALA CB C 13 18.602 . . 1 . . . . A 77 ALA CB . 18555 1 839 . 1 1 77 77 ALA N N 15 119.247 . . 1 . . . . A 77 ALA N . 18555 1 840 . 1 1 78 78 LYS H H 1 7.494 . . 1 . . . . A 78 LYS H . 18555 1 841 . 1 1 78 78 LYS HA H 1 3.807 . . 1 . . . . A 78 LYS HA . 18555 1 842 . 1 1 78 78 LYS HB2 H 1 1.802 . . 2 . . . . A 78 LYS HB2 . 18555 1 843 . 1 1 78 78 LYS HB3 H 1 1.802 . . 2 . . . . A 78 LYS HB3 . 18555 1 844 . 1 1 78 78 LYS HG2 H 1 1.510 . . 2 . . . . A 78 LYS HG2 . 18555 1 845 . 1 1 78 78 LYS HG3 H 1 1.369 . . 2 . . . . A 78 LYS HG3 . 18555 1 846 . 1 1 78 78 LYS HD2 H 1 1.657 . . 2 . . . . A 78 LYS HD2 . 18555 1 847 . 1 1 78 78 LYS HD3 H 1 1.657 . . 2 . . . . A 78 LYS HD3 . 18555 1 848 . 1 1 78 78 LYS HE2 H 1 2.958 . . 2 . . . . A 78 LYS HE2 . 18555 1 849 . 1 1 78 78 LYS HE3 H 1 2.958 . . 2 . . . . A 78 LYS HE3 . 18555 1 850 . 1 1 78 78 LYS C C 13 178.115 . . 1 . . . . A 78 LYS C . 18555 1 851 . 1 1 78 78 LYS CA C 13 59.395 . . 1 . . . . A 78 LYS CA . 18555 1 852 . 1 1 78 78 LYS CB C 13 32.422 . . 1 . . . . A 78 LYS CB . 18555 1 853 . 1 1 78 78 LYS CG C 13 25.002 . . 1 . . . . A 78 LYS CG . 18555 1 854 . 1 1 78 78 LYS CD C 13 29.573 . . 1 . . . . A 78 LYS CD . 18555 1 855 . 1 1 78 78 LYS CE C 13 42.141 . . 1 . . . . A 78 LYS CE . 18555 1 856 . 1 1 78 78 LYS N N 15 117.031 . . 1 . . . . A 78 LYS N . 18555 1 857 . 1 1 79 79 ASP H H 1 7.040 . . 1 . . . . A 79 ASP H . 18555 1 858 . 1 1 79 79 ASP HA H 1 4.252 . . 1 . . . . A 79 ASP HA . 18555 1 859 . 1 1 79 79 ASP HB2 H 1 2.496 . . 2 . . . . A 79 ASP HB2 . 18555 1 860 . 1 1 79 79 ASP HB3 H 1 2.409 . . 2 . . . . A 79 ASP HB3 . 18555 1 861 . 1 1 79 79 ASP C C 13 177.367 . . 1 . . . . A 79 ASP C . 18555 1 862 . 1 1 79 79 ASP CA C 13 57.019 . . 1 . . . . A 79 ASP CA . 18555 1 863 . 1 1 79 79 ASP CB C 13 41.552 . . 1 . . . . A 79 ASP CB . 18555 1 864 . 1 1 79 79 ASP N N 15 119.296 . . 1 . . . . A 79 ASP N . 18555 1 865 . 1 1 80 80 PHE H H 1 8.107 . . 1 . . . . A 80 PHE H . 18555 1 866 . 1 1 80 80 PHE HA H 1 3.996 . . 1 . . . . A 80 PHE HA . 18555 1 867 . 1 1 80 80 PHE HB2 H 1 2.120 . . 2 . . . . A 80 PHE HB2 . 18555 1 868 . 1 1 80 80 PHE HB3 H 1 1.433 . . 2 . . . . A 80 PHE HB3 . 18555 1 869 . 1 1 80 80 PHE HD1 H 1 6.296 . . 1 . . . . A 80 PHE HD1 . 18555 1 870 . 1 1 80 80 PHE HD2 H 1 6.296 . . 2 . . . . A 80 PHE HD2 . 18555 1 871 . 1 1 80 80 PHE HE1 H 1 7.023 . . 1 . . . . A 80 PHE HE1 . 18555 1 872 . 1 1 80 80 PHE HE2 H 1 7.023 . . 2 . . . . A 80 PHE HE2 . 18555 1 873 . 1 1 80 80 PHE C C 13 178.625 . . 1 . . . . A 80 PHE C . 18555 1 874 . 1 1 80 80 PHE CA C 13 58.795 . . 1 . . . . A 80 PHE CA . 18555 1 875 . 1 1 80 80 PHE CB C 13 36.980 . . 1 . . . . A 80 PHE CB . 18555 1 876 . 1 1 80 80 PHE CD1 C 13 130.424 . . 1 . . . . A 80 PHE CD1 . 18555 1 877 . 1 1 80 80 PHE CD2 C 13 130.424 . . 1 . . . . A 80 PHE CD2 . 18555 1 878 . 1 1 80 80 PHE CE1 C 13 130.377 . . 1 . . . . A 80 PHE CE1 . 18555 1 879 . 1 1 80 80 PHE CE2 C 13 130.377 . . 1 . . . . A 80 PHE CE2 . 18555 1 880 . 1 1 80 80 PHE N N 15 117.970 . . 1 . . . . A 80 PHE N . 18555 1 881 . 1 1 81 81 LEU H H 1 7.672 . . 1 . . . . A 81 LEU H . 18555 1 882 . 1 1 81 81 LEU HA H 1 3.955 . . 1 . . . . A 81 LEU HA . 18555 1 883 . 1 1 81 81 LEU HB2 H 1 1.773 . . 2 . . . . A 81 LEU HB2 . 18555 1 884 . 1 1 81 81 LEU HB3 H 1 1.607 . . 2 . . . . A 81 LEU HB3 . 18555 1 885 . 1 1 81 81 LEU HG H 1 1.589 . . 1 . . . . A 81 LEU HG . 18555 1 886 . 1 1 81 81 LEU HD11 H 1 0.990 . . 1 . . . . A 81 LEU HD11 . 18555 1 887 . 1 1 81 81 LEU HD12 H 1 0.990 . . 1 . . . . A 81 LEU HD12 . 18555 1 888 . 1 1 81 81 LEU HD13 H 1 0.990 . . 1 . . . . A 81 LEU HD13 . 18555 1 889 . 1 1 81 81 LEU HD21 H 1 1.066 . . 1 . . . . A 81 LEU HD21 . 18555 1 890 . 1 1 81 81 LEU HD22 H 1 1.066 . . 1 . . . . A 81 LEU HD22 . 18555 1 891 . 1 1 81 81 LEU HD23 H 1 1.066 . . 1 . . . . A 81 LEU HD23 . 18555 1 892 . 1 1 81 81 LEU C C 13 179.039 . . 1 . . . . A 81 LEU C . 18555 1 893 . 1 1 81 81 LEU CA C 13 57.839 . . 1 . . . . A 81 LEU CA . 18555 1 894 . 1 1 81 81 LEU CB C 13 42.027 . . 1 . . . . A 81 LEU CB . 18555 1 895 . 1 1 81 81 LEU CG C 13 26.950 . . 1 . . . . A 81 LEU CG . 18555 1 896 . 1 1 81 81 LEU CD1 C 13 25.515 . . 1 . . . . A 81 LEU CD1 . 18555 1 897 . 1 1 81 81 LEU CD2 C 13 24.072 . . 1 . . . . A 81 LEU CD2 . 18555 1 898 . 1 1 81 81 LEU N N 15 119.651 . . 1 . . . . A 81 LEU N . 18555 1 899 . 1 1 82 82 GLU H H 1 7.636 . . 1 . . . . A 82 GLU H . 18555 1 900 . 1 1 82 82 GLU HA H 1 3.977 . . 1 . . . . A 82 GLU HA . 18555 1 901 . 1 1 82 82 GLU HB2 H 1 2.121 . . 2 . . . . A 82 GLU HB2 . 18555 1 902 . 1 1 82 82 GLU HB3 H 1 2.007 . . 2 . . . . A 82 GLU HB3 . 18555 1 903 . 1 1 82 82 GLU HG2 H 1 2.363 . . 2 . . . . A 82 GLU HG2 . 18555 1 904 . 1 1 82 82 GLU HG3 H 1 2.363 . . 2 . . . . A 82 GLU HG3 . 18555 1 905 . 1 1 82 82 GLU C C 13 178.629 . . 1 . . . . A 82 GLU C . 18555 1 906 . 1 1 82 82 GLU CA C 13 58.828 . . 1 . . . . A 82 GLU CA . 18555 1 907 . 1 1 82 82 GLU CB C 13 30.084 . . 1 . . . . A 82 GLU CB . 18555 1 908 . 1 1 82 82 GLU CG C 13 36.274 . . 1 . . . . A 82 GLU CG . 18555 1 909 . 1 1 82 82 GLU N N 15 116.868 . . 1 . . . . A 82 GLU N . 18555 1 910 . 1 1 83 83 ARG H H 1 8.192 . . 1 . . . . A 83 ARG H . 18555 1 911 . 1 1 83 83 ARG HA H 1 4.209 . . 1 . . . . A 83 ARG HA . 18555 1 912 . 1 1 83 83 ARG HB2 H 1 1.722 . . 2 . . . . A 83 ARG HB2 . 18555 1 913 . 1 1 83 83 ARG HB3 H 1 1.650 . . 2 . . . . A 83 ARG HB3 . 18555 1 914 . 1 1 83 83 ARG C C 13 176.490 . . 1 . . . . A 83 ARG C . 18555 1 915 . 1 1 83 83 ARG CA C 13 58.236 . . 1 . . . . A 83 ARG CA . 18555 1 916 . 1 1 83 83 ARG CB C 13 32.147 . . 1 . . . . A 83 ARG CB . 18555 1 917 . 1 1 83 83 ARG N N 15 115.564 . . 1 . . . . A 83 ARG N . 18555 1 918 . 1 1 84 84 ASP H H 1 8.524 . . 1 . . . . A 84 ASP H . 18555 1 919 . 1 1 84 84 ASP HA H 1 4.613 . . 1 . . . . A 84 ASP HA . 18555 1 920 . 1 1 84 84 ASP HB2 H 1 3.184 . . 2 . . . . A 84 ASP HB2 . 18555 1 921 . 1 1 84 84 ASP HB3 H 1 2.334 . . 2 . . . . A 84 ASP HB3 . 18555 1 922 . 1 1 84 84 ASP CA C 13 54.229 . . 1 . . . . A 84 ASP CA . 18555 1 923 . 1 1 84 84 ASP CB C 13 40.884 . . 1 . . . . A 84 ASP CB . 18555 1 924 . 1 1 84 84 ASP N N 15 119.010 . . 1 . . . . A 84 ASP N . 18555 1 925 . 1 1 85 85 PRO HA H 1 4.647 . . 1 . . . . A 85 PRO HA . 18555 1 926 . 1 1 85 85 PRO HB2 H 1 2.086 . . 2 . . . . A 85 PRO HB2 . 18555 1 927 . 1 1 85 85 PRO HB3 H 1 1.935 . . 2 . . . . A 85 PRO HB3 . 18555 1 928 . 1 1 85 85 PRO HG2 H 1 1.690 . . 2 . . . . A 85 PRO HG2 . 18555 1 929 . 1 1 85 85 PRO HG3 H 1 1.690 . . 2 . . . . A 85 PRO HG3 . 18555 1 930 . 1 1 85 85 PRO HD2 H 1 3.750 . . 2 . . . . A 85 PRO HD2 . 18555 1 931 . 1 1 85 85 PRO HD3 H 1 3.750 . . 2 . . . . A 85 PRO HD3 . 18555 1 932 . 1 1 85 85 PRO C C 13 176.947 . . 1 . . . . A 85 PRO C . 18555 1 933 . 1 1 85 85 PRO CA C 13 62.569 . . 1 . . . . A 85 PRO CA . 18555 1 934 . 1 1 85 85 PRO CB C 13 33.354 . . 1 . . . . A 85 PRO CB . 18555 1 935 . 1 1 85 85 PRO CG C 13 26.450 . . 1 . . . . A 85 PRO CG . 18555 1 936 . 1 1 85 85 PRO CD C 13 50.070 . . 1 . . . . A 85 PRO CD . 18555 1 937 . 1 1 86 86 THR H H 1 8.729 . . 1 . . . . A 86 THR H . 18555 1 938 . 1 1 86 86 THR HA H 1 3.988 . . 1 . . . . A 86 THR HA . 18555 1 939 . 1 1 86 86 THR HB H 1 4.106 . . 1 . . . . A 86 THR HB . 18555 1 940 . 1 1 86 86 THR HG21 H 1 1.069 . . 1 . . . . A 86 THR HG21 . 18555 1 941 . 1 1 86 86 THR HG22 H 1 1.069 . . 1 . . . . A 86 THR HG22 . 18555 1 942 . 1 1 86 86 THR HG23 H 1 1.069 . . 1 . . . . A 86 THR HG23 . 18555 1 943 . 1 1 86 86 THR C C 13 173.186 . . 1 . . . . A 86 THR C . 18555 1 944 . 1 1 86 86 THR CA C 13 64.355 . . 1 . . . . A 86 THR CA . 18555 1 945 . 1 1 86 86 THR CB C 13 68.721 . . 1 . . . . A 86 THR CB . 18555 1 946 . 1 1 86 86 THR CG2 C 13 22.536 . . 1 . . . . A 86 THR CG2 . 18555 1 947 . 1 1 86 86 THR N N 15 117.618 . . 1 . . . . A 86 THR N . 18555 1 948 . 1 1 87 87 LEU H H 1 8.116 . . 1 . . . . A 87 LEU H . 18555 1 949 . 1 1 87 87 LEU HA H 1 4.914 . . 1 . . . . A 87 LEU HA . 18555 1 950 . 1 1 87 87 LEU HB2 H 1 1.921 . . 2 . . . . A 87 LEU HB2 . 18555 1 951 . 1 1 87 87 LEU HB3 H 1 1.921 . . 2 . . . . A 87 LEU HB3 . 18555 1 952 . 1 1 87 87 LEU HG H 1 1.402 . . 1 . . . . A 87 LEU HG . 18555 1 953 . 1 1 87 87 LEU HD11 H 1 0.478 . . 1 . . . . A 87 LEU HD11 . 18555 1 954 . 1 1 87 87 LEU HD12 H 1 0.478 . . 1 . . . . A 87 LEU HD12 . 18555 1 955 . 1 1 87 87 LEU HD13 H 1 0.478 . . 1 . . . . A 87 LEU HD13 . 18555 1 956 . 1 1 87 87 LEU HD21 H 1 0.471 . . 1 . . . . A 87 LEU HD21 . 18555 1 957 . 1 1 87 87 LEU HD22 H 1 0.471 . . 1 . . . . A 87 LEU HD22 . 18555 1 958 . 1 1 87 87 LEU HD23 H 1 0.471 . . 1 . . . . A 87 LEU HD23 . 18555 1 959 . 1 1 87 87 LEU C C 13 174.574 . . 1 . . . . A 87 LEU C . 18555 1 960 . 1 1 87 87 LEU CA C 13 53.270 . . 1 . . . . A 87 LEU CA . 18555 1 961 . 1 1 87 87 LEU CB C 13 44.557 . . 1 . . . . A 87 LEU CB . 18555 1 962 . 1 1 87 87 LEU CG C 13 26.201 . . 1 . . . . A 87 LEU CG . 18555 1 963 . 1 1 87 87 LEU CD1 C 13 25.676 . . 1 . . . . A 87 LEU CD1 . 18555 1 964 . 1 1 87 87 LEU CD2 C 13 23.492 . . 1 . . . . A 87 LEU CD2 . 18555 1 965 . 1 1 87 87 LEU N N 15 128.976 . . 1 . . . . A 87 LEU N . 18555 1 966 . 1 1 88 88 TRP H H 1 8.666 . . 1 . . . . A 88 TRP H . 18555 1 967 . 1 1 88 88 TRP HA H 1 4.988 . . 1 . . . . A 88 TRP HA . 18555 1 968 . 1 1 88 88 TRP HB2 H 1 2.945 . . 2 . . . . A 88 TRP HB2 . 18555 1 969 . 1 1 88 88 TRP HB3 H 1 2.825 . . 2 . . . . A 88 TRP HB3 . 18555 1 970 . 1 1 88 88 TRP HD1 H 1 7.082 . . 1 . . . . A 88 TRP HD1 . 18555 1 971 . 1 1 88 88 TRP HE1 H 1 10.151 . . 1 . . . . A 88 TRP HE1 . 18555 1 972 . 1 1 88 88 TRP HE3 H 1 7.120 . . 2 . . . . A 88 TRP HE3 . 18555 1 973 . 1 1 88 88 TRP HZ2 H 1 7.319 . . 2 . . . . A 88 TRP HZ2 . 18555 1 974 . 1 1 88 88 TRP HZ3 H 1 7.030 . . 2 . . . . A 88 TRP HZ3 . 18555 1 975 . 1 1 88 88 TRP C C 13 175.673 . . 1 . . . . A 88 TRP C . 18555 1 976 . 1 1 88 88 TRP CA C 13 55.754 . . 1 . . . . A 88 TRP CA . 18555 1 977 . 1 1 88 88 TRP CB C 13 31.538 . . 1 . . . . A 88 TRP CB . 18555 1 978 . 1 1 88 88 TRP CD1 C 13 124.902 . . 1 . . . . A 88 TRP CD1 . 18555 1 979 . 1 1 88 88 TRP CE3 C 13 124.500 . . 1 . . . . A 88 TRP CE3 . 18555 1 980 . 1 1 88 88 TRP CZ2 C 13 114.400 . . 1 . . . . A 88 TRP CZ2 . 18555 1 981 . 1 1 88 88 TRP CZ3 C 13 121.836 . . 1 . . . . A 88 TRP CZ3 . 18555 1 982 . 1 1 88 88 TRP N N 15 122.050 . . 1 . . . . A 88 TRP N . 18555 1 983 . 1 1 88 88 TRP NE1 N 15 128.266 . . 1 . . . . A 88 TRP NE1 . 18555 1 984 . 1 1 89 89 ALA H H 1 9.035 . . 1 . . . . A 89 ALA H . 18555 1 985 . 1 1 89 89 ALA HA H 1 5.806 . . 1 . . . . A 89 ALA HA . 18555 1 986 . 1 1 89 89 ALA HB1 H 1 1.096 . . 1 . . . . A 89 ALA HB1 . 18555 1 987 . 1 1 89 89 ALA HB2 H 1 1.096 . . 1 . . . . A 89 ALA HB2 . 18555 1 988 . 1 1 89 89 ALA HB3 H 1 1.096 . . 1 . . . . A 89 ALA HB3 . 18555 1 989 . 1 1 89 89 ALA C C 13 176.374 . . 1 . . . . A 89 ALA C . 18555 1 990 . 1 1 89 89 ALA CA C 13 50.468 . . 1 . . . . A 89 ALA CA . 18555 1 991 . 1 1 89 89 ALA CB C 13 24.728 . . 1 . . . . A 89 ALA CB . 18555 1 992 . 1 1 89 89 ALA N N 15 121.519 . . 1 . . . . A 89 ALA N . 18555 1 993 . 1 1 90 90 VAL H H 1 8.818 . . 1 . . . . A 90 VAL H . 18555 1 994 . 1 1 90 90 VAL HA H 1 4.397 . . 1 . . . . A 90 VAL HA . 18555 1 995 . 1 1 90 90 VAL HB H 1 1.923 . . 1 . . . . A 90 VAL HB . 18555 1 996 . 1 1 90 90 VAL HG11 H 1 0.685 . . 1 . . . . A 90 VAL HG11 . 18555 1 997 . 1 1 90 90 VAL HG12 H 1 0.685 . . 1 . . . . A 90 VAL HG12 . 18555 1 998 . 1 1 90 90 VAL HG13 H 1 0.685 . . 1 . . . . A 90 VAL HG13 . 18555 1 999 . 1 1 90 90 VAL HG21 H 1 0.776 . . 1 . . . . A 90 VAL HG21 . 18555 1 1000 . 1 1 90 90 VAL HG22 H 1 0.776 . . 1 . . . . A 90 VAL HG22 . 18555 1 1001 . 1 1 90 90 VAL HG23 H 1 0.776 . . 1 . . . . A 90 VAL HG23 . 18555 1 1002 . 1 1 90 90 VAL C C 13 173.112 . . 1 . . . . A 90 VAL C . 18555 1 1003 . 1 1 90 90 VAL CA C 13 60.565 . . 1 . . . . A 90 VAL CA . 18555 1 1004 . 1 1 90 90 VAL CB C 13 35.280 . . 1 . . . . A 90 VAL CB . 18555 1 1005 . 1 1 90 90 VAL CG1 C 13 20.820 . . 1 . . . . A 90 VAL CG1 . 18555 1 1006 . 1 1 90 90 VAL CG2 C 13 22.170 . . 1 . . . . A 90 VAL CG2 . 18555 1 1007 . 1 1 90 90 VAL N N 15 118.849 . . 1 . . . . A 90 VAL N . 18555 1 1008 . 1 1 91 91 VAL H H 1 8.387 . . 1 . . . . A 91 VAL H . 18555 1 1009 . 1 1 91 91 VAL HA H 1 4.070 . . 1 . . . . A 91 VAL HA . 18555 1 1010 . 1 1 91 91 VAL HB H 1 1.964 . . 1 . . . . A 91 VAL HB . 18555 1 1011 . 1 1 91 91 VAL HG11 H 1 0.786 . . 1 . . . . A 91 VAL HG11 . 18555 1 1012 . 1 1 91 91 VAL HG12 H 1 0.786 . . 1 . . . . A 91 VAL HG12 . 18555 1 1013 . 1 1 91 91 VAL HG13 H 1 0.786 . . 1 . . . . A 91 VAL HG13 . 18555 1 1014 . 1 1 91 91 VAL HG21 H 1 0.841 . . 1 . . . . A 91 VAL HG21 . 18555 1 1015 . 1 1 91 91 VAL HG22 H 1 0.841 . . 1 . . . . A 91 VAL HG22 . 18555 1 1016 . 1 1 91 91 VAL HG23 H 1 0.841 . . 1 . . . . A 91 VAL HG23 . 18555 1 1017 . 1 1 91 91 VAL C C 13 175.884 . . 1 . . . . A 91 VAL C . 18555 1 1018 . 1 1 91 91 VAL CA C 13 63.256 . . 1 . . . . A 91 VAL CA . 18555 1 1019 . 1 1 91 91 VAL CB C 13 32.150 . . 1 . . . . A 91 VAL CB . 18555 1 1020 . 1 1 91 91 VAL CG1 C 13 21.220 . . 1 . . . . A 91 VAL CG1 . 18555 1 1021 . 1 1 91 91 VAL CG2 C 13 20.710 . . 1 . . . . A 91 VAL CG2 . 18555 1 1022 . 1 1 91 91 VAL N N 15 127.637 . . 1 . . . . A 91 VAL N . 18555 1 1023 . 1 1 92 92 VAL H H 1 8.245 . . 1 . . . . A 92 VAL H . 18555 1 1024 . 1 1 92 92 VAL HA H 1 4.171 . . 1 . . . . A 92 VAL HA . 18555 1 1025 . 1 1 92 92 VAL HB H 1 2.052 . . 1 . . . . A 92 VAL HB . 18555 1 1026 . 1 1 92 92 VAL HG11 H 1 0.975 . . 1 . . . . A 92 VAL HG11 . 18555 1 1027 . 1 1 92 92 VAL HG12 H 1 0.975 . . 1 . . . . A 92 VAL HG12 . 18555 1 1028 . 1 1 92 92 VAL HG13 H 1 0.975 . . 1 . . . . A 92 VAL HG13 . 18555 1 1029 . 1 1 92 92 VAL HG21 H 1 0.969 . . 1 . . . . A 92 VAL HG21 . 18555 1 1030 . 1 1 92 92 VAL HG22 H 1 0.969 . . 1 . . . . A 92 VAL HG22 . 18555 1 1031 . 1 1 92 92 VAL HG23 H 1 0.969 . . 1 . . . . A 92 VAL HG23 . 18555 1 1032 . 1 1 92 92 VAL C C 13 173.765 . . 1 . . . . A 92 VAL C . 18555 1 1033 . 1 1 92 92 VAL CA C 13 60.429 . . 1 . . . . A 92 VAL CA . 18555 1 1034 . 1 1 92 92 VAL CB C 13 32.662 . . 1 . . . . A 92 VAL CB . 18555 1 1035 . 1 1 92 92 VAL CG1 C 13 20.680 . . 1 . . . . A 92 VAL CG1 . 18555 1 1036 . 1 1 92 92 VAL CG2 C 13 22.090 . . 1 . . . . A 92 VAL CG2 . 18555 1 1037 . 1 1 92 92 VAL N N 15 128.984 . . 1 . . . . A 92 VAL N . 18555 1 1038 . 1 1 93 93 ALA H H 1 8.282 . . 1 . . . . A 93 ALA H . 18555 1 1039 . 1 1 93 93 ALA HA H 1 4.074 . . 1 . . . . A 93 ALA HA . 18555 1 1040 . 1 1 93 93 ALA HB1 H 1 1.222 . . 1 . . . . A 93 ALA HB1 . 18555 1 1041 . 1 1 93 93 ALA HB2 H 1 1.222 . . 1 . . . . A 93 ALA HB2 . 18555 1 1042 . 1 1 93 93 ALA HB3 H 1 1.222 . . 1 . . . . A 93 ALA HB3 . 18555 1 1043 . 1 1 93 93 ALA CA C 13 52.142 . . 1 . . . . A 93 ALA CA . 18555 1 1044 . 1 1 93 93 ALA CB C 13 17.212 . . 1 . . . . A 93 ALA CB . 18555 1 1045 . 1 1 93 93 ALA N N 15 125.823 . . 1 . . . . A 93 ALA N . 18555 1 1046 . 1 1 94 94 PRO HA H 1 4.314 . . 1 . . . . A 94 PRO HA . 18555 1 1047 . 1 1 94 94 PRO HB2 H 1 1.890 . . 2 . . . . A 94 PRO HB2 . 18555 1 1048 . 1 1 94 94 PRO HB3 H 1 1.890 . . 2 . . . . A 94 PRO HB3 . 18555 1 1049 . 1 1 94 94 PRO HD2 H 1 2.894 . . 2 . . . . A 94 PRO HD2 . 18555 1 1050 . 1 1 94 94 PRO HD3 H 1 3.138 . . 2 . . . . A 94 PRO HD3 . 18555 1 1051 . 1 1 94 94 PRO C C 13 174.594 . . 1 . . . . A 94 PRO C . 18555 1 1052 . 1 1 94 94 PRO CA C 13 64.089 . . 1 . . . . A 94 PRO CA . 18555 1 1053 . 1 1 94 94 PRO CB C 13 33.480 . . 1 . . . . A 94 PRO CB . 18555 1 1054 . 1 1 94 94 PRO CD C 13 49.620 . . 1 . . . . A 94 PRO CD . 18555 1 1055 . 1 1 95 95 TRP H H 1 9.027 . . 1 . . . . A 95 TRP H . 18555 1 1056 . 1 1 95 95 TRP HA H 1 5.349 . . 1 . . . . A 95 TRP HA . 18555 1 1057 . 1 1 95 95 TRP HB2 H 1 3.147 . . 2 . . . . A 95 TRP HB2 . 18555 1 1058 . 1 1 95 95 TRP HB3 H 1 3.088 . . 2 . . . . A 95 TRP HB3 . 18555 1 1059 . 1 1 95 95 TRP HD1 H 1 7.147 . . 1 . . . . A 95 TRP HD1 . 18555 1 1060 . 1 1 95 95 TRP HE1 H 1 10.267 . . 1 . . . . A 95 TRP HE1 . 18555 1 1061 . 1 1 95 95 TRP HE3 H 1 7.678 . . 2 . . . . A 95 TRP HE3 . 18555 1 1062 . 1 1 95 95 TRP C C 13 176.062 . . 1 . . . . A 95 TRP C . 18555 1 1063 . 1 1 95 95 TRP CA C 13 56.172 . . 1 . . . . A 95 TRP CA . 18555 1 1064 . 1 1 95 95 TRP CB C 13 32.444 . . 1 . . . . A 95 TRP CB . 18555 1 1065 . 1 1 95 95 TRP CD1 C 13 127.228 . . 1 . . . . A 95 TRP CD1 . 18555 1 1066 . 1 1 95 95 TRP CE3 C 13 121.031 . . 1 . . . . A 95 TRP CE3 . 18555 1 1067 . 1 1 95 95 TRP N N 15 128.138 . . 1 . . . . A 95 TRP N . 18555 1 1068 . 1 1 95 95 TRP NE1 N 15 128.324 . . 1 . . . . A 95 TRP NE1 . 18555 1 1069 . 1 1 96 96 VAL H H 1 8.514 . . 1 . . . . A 96 VAL H . 18555 1 1070 . 1 1 96 96 VAL HA H 1 4.251 . . 1 . . . . A 96 VAL HA . 18555 1 1071 . 1 1 96 96 VAL HB H 1 1.488 . . 1 . . . . A 96 VAL HB . 18555 1 1072 . 1 1 96 96 VAL HG11 H 1 0.424 . . 1 . . . . A 96 VAL HG11 . 18555 1 1073 . 1 1 96 96 VAL HG12 H 1 0.424 . . 1 . . . . A 96 VAL HG12 . 18555 1 1074 . 1 1 96 96 VAL HG13 H 1 0.424 . . 1 . . . . A 96 VAL HG13 . 18555 1 1075 . 1 1 96 96 VAL HG21 H 1 0.059 . . 1 . . . . A 96 VAL HG21 . 18555 1 1076 . 1 1 96 96 VAL HG22 H 1 0.059 . . 1 . . . . A 96 VAL HG22 . 18555 1 1077 . 1 1 96 96 VAL HG23 H 1 0.059 . . 1 . . . . A 96 VAL HG23 . 18555 1 1078 . 1 1 96 96 VAL C C 13 173.765 . . 1 . . . . A 96 VAL C . 18555 1 1079 . 1 1 96 96 VAL CA C 13 62.966 . . 1 . . . . A 96 VAL CA . 18555 1 1080 . 1 1 96 96 VAL CB C 13 33.668 . . 1 . . . . A 96 VAL CB . 18555 1 1081 . 1 1 96 96 VAL CG1 C 13 21.042 . . 1 . . . . A 96 VAL CG1 . 18555 1 1082 . 1 1 96 96 VAL CG2 C 13 21.042 . . 1 . . . . A 96 VAL CG2 . 18555 1 1083 . 1 1 96 96 VAL N N 15 121.190 . . 1 . . . . A 96 VAL N . 18555 1 1084 . 1 1 97 97 VAL H H 1 8.649 . . 1 . . . . A 97 VAL H . 18555 1 1085 . 1 1 97 97 VAL HA H 1 4.879 . . 1 . . . . A 97 VAL HA . 18555 1 1086 . 1 1 97 97 VAL HB H 1 1.887 . . 1 . . . . A 97 VAL HB . 18555 1 1087 . 1 1 97 97 VAL HG11 H 1 0.738 . . 1 . . . . A 97 VAL HG11 . 18555 1 1088 . 1 1 97 97 VAL HG12 H 1 0.738 . . 1 . . . . A 97 VAL HG12 . 18555 1 1089 . 1 1 97 97 VAL HG13 H 1 0.738 . . 1 . . . . A 97 VAL HG13 . 18555 1 1090 . 1 1 97 97 VAL HG21 H 1 0.636 . . 1 . . . . A 97 VAL HG21 . 18555 1 1091 . 1 1 97 97 VAL HG22 H 1 0.636 . . 1 . . . . A 97 VAL HG22 . 18555 1 1092 . 1 1 97 97 VAL HG23 H 1 0.636 . . 1 . . . . A 97 VAL HG23 . 18555 1 1093 . 1 1 97 97 VAL C C 13 175.392 . . 1 . . . . A 97 VAL C . 18555 1 1094 . 1 1 97 97 VAL CA C 13 60.097 . . 1 . . . . A 97 VAL CA . 18555 1 1095 . 1 1 97 97 VAL CB C 13 32.489 . . 1 . . . . A 97 VAL CB . 18555 1 1096 . 1 1 97 97 VAL CG1 C 13 21.362 . . 1 . . . . A 97 VAL CG1 . 18555 1 1097 . 1 1 97 97 VAL CG2 C 13 23.050 . . 1 . . . . A 97 VAL CG2 . 18555 1 1098 . 1 1 97 97 VAL N N 15 126.562 . . 1 . . . . A 97 VAL N . 18555 1 1099 . 1 1 98 98 ILE H H 1 8.908 . . 1 . . . . A 98 ILE H . 18555 1 1100 . 1 1 98 98 ILE HA H 1 6.009 . . 1 . . . . A 98 ILE HA . 18555 1 1101 . 1 1 98 98 ILE HB H 1 1.766 . . 1 . . . . A 98 ILE HB . 18555 1 1102 . 1 1 98 98 ILE HG12 H 1 1.260 . . 2 . . . . A 98 ILE HG12 . 18555 1 1103 . 1 1 98 98 ILE HG13 H 1 1.260 . . 2 . . . . A 98 ILE HG13 . 18555 1 1104 . 1 1 98 98 ILE HG21 H 1 0.883 . . 1 . . . . A 98 ILE HG21 . 18555 1 1105 . 1 1 98 98 ILE HG22 H 1 0.883 . . 1 . . . . A 98 ILE HG22 . 18555 1 1106 . 1 1 98 98 ILE HG23 H 1 0.883 . . 1 . . . . A 98 ILE HG23 . 18555 1 1107 . 1 1 98 98 ILE HD11 H 1 0.793 . . 1 . . . . A 98 ILE HD11 . 18555 1 1108 . 1 1 98 98 ILE HD12 H 1 0.793 . . 1 . . . . A 98 ILE HD12 . 18555 1 1109 . 1 1 98 98 ILE HD13 H 1 0.793 . . 1 . . . . A 98 ILE HD13 . 18555 1 1110 . 1 1 98 98 ILE C C 13 175.024 . . 1 . . . . A 98 ILE C . 18555 1 1111 . 1 1 98 98 ILE CA C 13 58.323 . . 1 . . . . A 98 ILE CA . 18555 1 1112 . 1 1 98 98 ILE CB C 13 43.176 . . 1 . . . . A 98 ILE CB . 18555 1 1113 . 1 1 98 98 ILE CG1 C 13 25.519 . . 1 . . . . A 98 ILE CG1 . 18555 1 1114 . 1 1 98 98 ILE CG2 C 13 18.971 . . 1 . . . . A 98 ILE CG2 . 18555 1 1115 . 1 1 98 98 ILE CD1 C 13 15.333 . . 1 . . . . A 98 ILE CD1 . 18555 1 1116 . 1 1 98 98 ILE N N 15 117.032 . . 1 . . . . A 98 ILE N . 18555 1 1117 . 1 1 99 99 GLN H H 1 9.083 . . 1 . . . . A 99 GLN H . 18555 1 1118 . 1 1 99 99 GLN HA H 1 4.686 . . 1 . . . . A 99 GLN HA . 18555 1 1119 . 1 1 99 99 GLN HB2 H 1 2.055 . . 2 . . . . A 99 GLN HB2 . 18555 1 1120 . 1 1 99 99 GLN HB3 H 1 1.805 . . 2 . . . . A 99 GLN HB3 . 18555 1 1121 . 1 1 99 99 GLN C C 13 173.820 . . 1 . . . . A 99 GLN C . 18555 1 1122 . 1 1 99 99 GLN CA C 13 55.419 . . 1 . . . . A 99 GLN CA . 18555 1 1123 . 1 1 99 99 GLN CB C 13 36.904 . . 1 . . . . A 99 GLN CB . 18555 1 1124 . 1 1 99 99 GLN N N 15 119.612 . . 1 . . . . A 99 GLN N . 18555 1 1125 . 1 1 100 100 GLU H H 1 9.336 . . 1 . . . . A 100 GLU H . 18555 1 1126 . 1 1 100 100 GLU HA H 1 4.724 . . 1 . . . . A 100 GLU HA . 18555 1 1127 . 1 1 100 100 GLU HB2 H 1 2.069 . . 2 . . . . A 100 GLU HB2 . 18555 1 1128 . 1 1 100 100 GLU HB3 H 1 2.020 . . 2 . . . . A 100 GLU HB3 . 18555 1 1129 . 1 1 100 100 GLU HG2 H 1 2.369 . . 2 . . . . A 100 GLU HG2 . 18555 1 1130 . 1 1 100 100 GLU HG3 H 1 2.307 . . 2 . . . . A 100 GLU HG3 . 18555 1 1131 . 1 1 100 100 GLU C C 13 175.821 . . 1 . . . . A 100 GLU C . 18555 1 1132 . 1 1 100 100 GLU CA C 13 56.157 . . 1 . . . . A 100 GLU CA . 18555 1 1133 . 1 1 100 100 GLU CB C 13 29.655 . . 1 . . . . A 100 GLU CB . 18555 1 1134 . 1 1 100 100 GLU CG C 13 33.833 . . 1 . . . . A 100 GLU CG . 18555 1 1135 . 1 1 100 100 GLU N N 15 129.620 . . 1 . . . . A 100 GLU N . 18555 1 1136 . 1 1 101 101 ARG H H 1 8.458 . . 1 . . . . A 101 ARG H . 18555 1 1137 . 1 1 101 101 ARG HA H 1 4.404 . . 1 . . . . A 101 ARG HA . 18555 1 1138 . 1 1 101 101 ARG HB2 H 1 1.685 . . 2 . . . . A 101 ARG HB2 . 18555 1 1139 . 1 1 101 101 ARG HB3 H 1 1.428 . . 2 . . . . A 101 ARG HB3 . 18555 1 1140 . 1 1 101 101 ARG HG2 H 1 1.078 . . 2 . . . . A 101 ARG HG2 . 18555 1 1141 . 1 1 101 101 ARG HG3 H 1 1.326 . . 2 . . . . A 101 ARG HG3 . 18555 1 1142 . 1 1 101 101 ARG HD2 H 1 2.320 . . 2 . . . . A 101 ARG HD2 . 18555 1 1143 . 1 1 101 101 ARG HD3 H 1 2.394 . . 2 . . . . A 101 ARG HD3 . 18555 1 1144 . 1 1 101 101 ARG C C 13 175.300 . . 1 . . . . A 101 ARG C . 18555 1 1145 . 1 1 101 101 ARG CA C 13 54.833 . . 1 . . . . A 101 ARG CA . 18555 1 1146 . 1 1 101 101 ARG CB C 13 30.992 . . 1 . . . . A 101 ARG CB . 18555 1 1147 . 1 1 101 101 ARG CG C 13 26.520 . . 1 . . . . A 101 ARG CG . 18555 1 1148 . 1 1 101 101 ARG CD C 13 42.350 . . 1 . . . . A 101 ARG CD . 18555 1 1149 . 1 1 101 101 ARG N N 15 126.140 . . 1 . . . . A 101 ARG N . 18555 1 1150 . 1 1 102 102 ALA H H 1 8.366 . . 1 . . . . A 102 ALA H . 18555 1 1151 . 1 1 102 102 ALA HA H 1 4.371 . . 1 . . . . A 102 ALA HA . 18555 1 1152 . 1 1 102 102 ALA HB1 H 1 1.358 . . 1 . . . . A 102 ALA HB1 . 18555 1 1153 . 1 1 102 102 ALA HB2 H 1 1.358 . . 1 . . . . A 102 ALA HB2 . 18555 1 1154 . 1 1 102 102 ALA HB3 H 1 1.358 . . 1 . . . . A 102 ALA HB3 . 18555 1 1155 . 1 1 102 102 ALA C C 13 177.713 . . 1 . . . . A 102 ALA C . 18555 1 1156 . 1 1 102 102 ALA CA C 13 52.328 . . 1 . . . . A 102 ALA CA . 18555 1 1157 . 1 1 102 102 ALA CB C 13 19.588 . . 1 . . . . A 102 ALA CB . 18555 1 1158 . 1 1 102 102 ALA N N 15 125.405 . . 1 . . . . A 102 ALA N . 18555 1 1159 . 1 1 103 103 GLU H H 1 8.482 . . 1 . . . . A 103 GLU H . 18555 1 1160 . 1 1 103 103 GLU HA H 1 4.260 . . 1 . . . . A 103 GLU HA . 18555 1 1161 . 1 1 103 103 GLU HB2 H 1 2.019 . . 2 . . . . A 103 GLU HB2 . 18555 1 1162 . 1 1 103 103 GLU HB3 H 1 1.939 . . 2 . . . . A 103 GLU HB3 . 18555 1 1163 . 1 1 103 103 GLU HG2 H 1 2.293 . . 2 . . . . A 103 GLU HG2 . 18555 1 1164 . 1 1 103 103 GLU HG3 H 1 2.247 . . 2 . . . . A 103 GLU HG3 . 18555 1 1165 . 1 1 103 103 GLU C C 13 176.485 . . 1 . . . . A 103 GLU C . 18555 1 1166 . 1 1 103 103 GLU CA C 13 56.639 . . 1 . . . . A 103 GLU CA . 18555 1 1167 . 1 1 103 103 GLU CB C 13 30.412 . . 1 . . . . A 103 GLU CB . 18555 1 1168 . 1 1 103 103 GLU CG C 13 36.163 . . 1 . . . . A 103 GLU CG . 18555 1 1169 . 1 1 103 103 GLU N N 15 120.785 . . 1 . . . . A 103 GLU N . 18555 1 1170 . 1 1 104 104 LYS H H 1 8.394 . . 1 . . . . A 104 LYS H . 18555 1 1171 . 1 1 104 104 LYS HA H 1 4.274 . . 1 . . . . A 104 LYS HA . 18555 1 1172 . 1 1 104 104 LYS HB2 H 1 1.816 . . 2 . . . . A 104 LYS HB2 . 18555 1 1173 . 1 1 104 104 LYS HB3 H 1 1.735 . . 2 . . . . A 104 LYS HB3 . 18555 1 1174 . 1 1 104 104 LYS HG2 H 1 1.422 . . 2 . . . . A 104 LYS HG2 . 18555 1 1175 . 1 1 104 104 LYS HG3 H 1 1.422 . . 2 . . . . A 104 LYS HG3 . 18555 1 1176 . 1 1 104 104 LYS HD2 H 1 1.655 . . 2 . . . . A 104 LYS HD2 . 18555 1 1177 . 1 1 104 104 LYS HD3 H 1 1.655 . . 2 . . . . A 104 LYS HD3 . 18555 1 1178 . 1 1 104 104 LYS HE2 H 1 2.985 . . 2 . . . . A 104 LYS HE2 . 18555 1 1179 . 1 1 104 104 LYS HE3 H 1 2.985 . . 2 . . . . A 104 LYS HE3 . 18555 1 1180 . 1 1 104 104 LYS C C 13 176.203 . . 1 . . . . A 104 LYS C . 18555 1 1181 . 1 1 104 104 LYS CA C 13 56.224 . . 1 . . . . A 104 LYS CA . 18555 1 1182 . 1 1 104 104 LYS CB C 13 33.049 . . 1 . . . . A 104 LYS CB . 18555 1 1183 . 1 1 104 104 LYS CG C 13 24.776 . . 1 . . . . A 104 LYS CG . 18555 1 1184 . 1 1 104 104 LYS CD C 13 29.079 . . 1 . . . . A 104 LYS CD . 18555 1 1185 . 1 1 104 104 LYS CE C 13 42.160 . . 1 . . . . A 104 LYS CE . 18555 1 1186 . 1 1 104 104 LYS N N 15 122.508 . . 1 . . . . A 104 LYS N . 18555 1 1187 . 1 1 105 105 ALA H H 1 8.329 . . 1 . . . . A 105 ALA H . 18555 1 1188 . 1 1 105 105 ALA HA H 1 4.368 . . 1 . . . . A 105 ALA HA . 18555 1 1189 . 1 1 105 105 ALA HB1 H 1 1.361 . . 1 . . . . A 105 ALA HB1 . 18555 1 1190 . 1 1 105 105 ALA HB2 H 1 1.361 . . 1 . . . . A 105 ALA HB2 . 18555 1 1191 . 1 1 105 105 ALA HB3 H 1 1.361 . . 1 . . . . A 105 ALA HB3 . 18555 1 1192 . 1 1 105 105 ALA C C 13 177.717 . . 1 . . . . A 105 ALA C . 18555 1 1193 . 1 1 105 105 ALA CA C 13 52.568 . . 1 . . . . A 105 ALA CA . 18555 1 1194 . 1 1 105 105 ALA CB C 13 19.527 . . 1 . . . . A 105 ALA CB . 18555 1 1195 . 1 1 105 105 ALA N N 15 125.392 . . 1 . . . . A 105 ALA N . 18555 1 1196 . 1 1 106 106 THR H H 1 8.108 . . 1 . . . . A 106 THR H . 18555 1 1197 . 1 1 106 106 THR HA H 1 4.281 . . 1 . . . . A 106 THR HA . 18555 1 1198 . 1 1 106 106 THR HB H 1 4.130 . . 1 . . . . A 106 THR HB . 18555 1 1199 . 1 1 106 106 THR HG21 H 1 1.154 . . 1 . . . . A 106 THR HG21 . 18555 1 1200 . 1 1 106 106 THR HG22 H 1 1.154 . . 1 . . . . A 106 THR HG22 . 18555 1 1201 . 1 1 106 106 THR HG23 H 1 1.154 . . 1 . . . . A 106 THR HG23 . 18555 1 1202 . 1 1 106 106 THR C C 13 174.180 . . 1 . . . . A 106 THR C . 18555 1 1203 . 1 1 106 106 THR CA C 13 61.629 . . 1 . . . . A 106 THR CA . 18555 1 1204 . 1 1 106 106 THR CB C 13 69.823 . . 1 . . . . A 106 THR CB . 18555 1 1205 . 1 1 106 106 THR CG2 C 13 21.737 . . 1 . . . . A 106 THR CG2 . 18555 1 1206 . 1 1 106 106 THR N N 15 113.805 . . 1 . . . . A 106 THR N . 18555 1 1207 . 1 1 107 107 LEU H H 1 8.181 . . 1 . . . . A 107 LEU H . 18555 1 1208 . 1 1 107 107 LEU HA H 1 4.253 . . 1 . . . . A 107 LEU HA . 18555 1 1209 . 1 1 107 107 LEU HB2 H 1 1.480 . . 2 . . . . A 107 LEU HB2 . 18555 1 1210 . 1 1 107 107 LEU HB3 H 1 1.480 . . 2 . . . . A 107 LEU HB3 . 18555 1 1211 . 1 1 107 107 LEU HG H 1 1.473 . . 1 . . . . A 107 LEU HG . 18555 1 1212 . 1 1 107 107 LEU HD11 H 1 0.829 . . 1 . . . . A 107 LEU HD11 . 18555 1 1213 . 1 1 107 107 LEU HD12 H 1 0.829 . . 1 . . . . A 107 LEU HD12 . 18555 1 1214 . 1 1 107 107 LEU HD13 H 1 0.829 . . 1 . . . . A 107 LEU HD13 . 18555 1 1215 . 1 1 107 107 LEU HD21 H 1 0.806 . . 1 . . . . A 107 LEU HD21 . 18555 1 1216 . 1 1 107 107 LEU HD22 H 1 0.806 . . 1 . . . . A 107 LEU HD22 . 18555 1 1217 . 1 1 107 107 LEU HD23 H 1 0.806 . . 1 . . . . A 107 LEU HD23 . 18555 1 1218 . 1 1 107 107 LEU C C 13 176.139 . . 1 . . . . A 107 LEU C . 18555 1 1219 . 1 1 107 107 LEU CA C 13 55.315 . . 1 . . . . A 107 LEU CA . 18555 1 1220 . 1 1 107 107 LEU CB C 13 42.353 . . 1 . . . . A 107 LEU CB . 18555 1 1221 . 1 1 107 107 LEU CG C 13 26.902 . . 1 . . . . A 107 LEU CG . 18555 1 1222 . 1 1 107 107 LEU CD1 C 13 24.225 . . 1 . . . . A 107 LEU CD1 . 18555 1 1223 . 1 1 107 107 LEU CD2 C 13 23.430 . . 1 . . . . A 107 LEU CD2 . 18555 1 1224 . 1 1 107 107 LEU N N 15 124.978 . . 1 . . . . A 107 LEU N . 18555 1 1225 . 1 1 108 108 HIS H H 1 7.843 . . 1 . . . . A 108 HIS H . 18555 1 1226 . 1 1 108 108 HIS N N 15 124.106 . . 1 . . . . A 108 HIS N . 18555 1 stop_ save_