data_34018 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34018 _Entry.Title ; Lactococcin A immunity protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-07-01 _Entry.Accession_date 2016-07-01 _Entry.Last_release_date 2016-11-14 _Entry.Original_release_date 2016-11-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 C. Persson C. . . . 34018 2 V. Fuochi V. . . . 34018 3 A. Pedersen A. . . . 34018 4 B. Karlsson B. G. . . 34018 5 J. Nissen-Meyer J. . . . 34018 6 P. Kristiansen P. E. . . 34018 7 C. Oppegard C. . . . 34018 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Four-helix bundle' . 34018 'Immune system' . 34018 'bacteriocin receptor' . 34018 'immunity protein' . 34018 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34018 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 394 34018 '15N chemical shifts' 98 34018 '1H chemical shifts' 590 34018 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-02-21 2016-07-01 update BMRB 'update entry citation' 34018 1 . . 2016-11-14 2016-07-01 original author 'original release' 34018 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5LFI 'BMRB Entry Tracking System' 34018 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34018 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27808503 _Citation.Full_citation . _Citation.Title ; Nuclear Magnetic Resonance Structure and Mutational Analysis of the Lactococcin A Immunity Protein. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 55 _Citation.Journal_issue 45 _Citation.Journal_ASTM BICHAW _Citation.Journal_ISSN 0006-2960 _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 6250 _Citation.Page_last 6257 _Citation.Year 2016 _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 P. Kristiansen P. E. . . 34018 1 2 C. Persson C. . . . 34018 1 3 V. Fuochi V. . . . 34018 1 4 A. Pedersen A. . . . 34018 1 5 G. Karlsson G. B. . . 34018 1 6 J. Nissen-Meyer J. . . . 34018 1 7 C. Oppegard C. . . . 34018 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34018 _Assembly.ID 1 _Assembly.Name 'Lactococcin-A immunity protein' _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 entity_1 1 $entity_1 A A yes . . . . . . 34018 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34018 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSGSHHHHHHSSGIEGRGRM KKKQIEFENELRSMLATALE KDISQEERNALNIAEKALDN SEYLPKIILNLRKALTPLAI NRTLNHDLSELYKFITSSKA SNKNLGGGLIMSWGRLF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13273.202 _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 . MET . 34018 1 2 . SER . 34018 1 3 . GLY . 34018 1 4 . SER . 34018 1 5 . HIS . 34018 1 6 . HIS . 34018 1 7 . HIS . 34018 1 8 . HIS . 34018 1 9 . HIS . 34018 1 10 . HIS . 34018 1 11 . SER . 34018 1 12 . SER . 34018 1 13 . GLY . 34018 1 14 . ILE . 34018 1 15 . GLU . 34018 1 16 . GLY . 34018 1 17 . ARG . 34018 1 18 . GLY . 34018 1 19 . ARG . 34018 1 20 . MET . 34018 1 21 . LYS . 34018 1 22 . LYS . 34018 1 23 . LYS . 34018 1 24 . GLN . 34018 1 25 . ILE . 34018 1 26 . GLU . 34018 1 27 . PHE . 34018 1 28 . GLU . 34018 1 29 . ASN . 34018 1 30 . GLU . 34018 1 31 . LEU . 34018 1 32 . ARG . 34018 1 33 . SER . 34018 1 34 . MET . 34018 1 35 . LEU . 34018 1 36 . ALA . 34018 1 37 . THR . 34018 1 38 . ALA . 34018 1 39 . LEU . 34018 1 40 . GLU . 34018 1 41 . LYS . 34018 1 42 . ASP . 34018 1 43 . ILE . 34018 1 44 . SER . 34018 1 45 . GLN . 34018 1 46 . GLU . 34018 1 47 . GLU . 34018 1 48 . ARG . 34018 1 49 . ASN . 34018 1 50 . ALA . 34018 1 51 . LEU . 34018 1 52 . ASN . 34018 1 53 . ILE . 34018 1 54 . ALA . 34018 1 55 . GLU . 34018 1 56 . LYS . 34018 1 57 . ALA . 34018 1 58 . LEU . 34018 1 59 . ASP . 34018 1 60 . ASN . 34018 1 61 . SER . 34018 1 62 . GLU . 34018 1 63 . TYR . 34018 1 64 . LEU . 34018 1 65 . PRO . 34018 1 66 . LYS . 34018 1 67 . ILE . 34018 1 68 . ILE . 34018 1 69 . LEU . 34018 1 70 . ASN . 34018 1 71 . LEU . 34018 1 72 . ARG . 34018 1 73 . LYS . 34018 1 74 . ALA . 34018 1 75 . LEU . 34018 1 76 . THR . 34018 1 77 . PRO . 34018 1 78 . LEU . 34018 1 79 . ALA . 34018 1 80 . ILE . 34018 1 81 . ASN . 34018 1 82 . ARG . 34018 1 83 . THR . 34018 1 84 . LEU . 34018 1 85 . ASN . 34018 1 86 . HIS . 34018 1 87 . ASP . 34018 1 88 . LEU . 34018 1 89 . SER . 34018 1 90 . GLU . 34018 1 91 . LEU . 34018 1 92 . TYR . 34018 1 93 . LYS . 34018 1 94 . PHE . 34018 1 95 . ILE . 34018 1 96 . THR . 34018 1 97 . SER . 34018 1 98 . SER . 34018 1 99 . LYS . 34018 1 100 . ALA . 34018 1 101 . SER . 34018 1 102 . ASN . 34018 1 103 . LYS . 34018 1 104 . ASN . 34018 1 105 . LEU . 34018 1 106 . GLY . 34018 1 107 . GLY . 34018 1 108 . GLY . 34018 1 109 . LEU . 34018 1 110 . ILE . 34018 1 111 . MET . 34018 1 112 . SER . 34018 1 113 . TRP . 34018 1 114 . GLY . 34018 1 115 . ARG . 34018 1 116 . LEU . 34018 1 117 . PHE . 34018 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34018 1 . SER 2 2 34018 1 . GLY 3 3 34018 1 . SER 4 4 34018 1 . HIS 5 5 34018 1 . HIS 6 6 34018 1 . HIS 7 7 34018 1 . HIS 8 8 34018 1 . HIS 9 9 34018 1 . HIS 10 10 34018 1 . SER 11 11 34018 1 . SER 12 12 34018 1 . GLY 13 13 34018 1 . ILE 14 14 34018 1 . GLU 15 15 34018 1 . GLY 16 16 34018 1 . ARG 17 17 34018 1 . GLY 18 18 34018 1 . ARG 19 19 34018 1 . MET 20 20 34018 1 . LYS 21 21 34018 1 . LYS 22 22 34018 1 . LYS 23 23 34018 1 . GLN 24 24 34018 1 . ILE 25 25 34018 1 . GLU 26 26 34018 1 . PHE 27 27 34018 1 . GLU 28 28 34018 1 . ASN 29 29 34018 1 . GLU 30 30 34018 1 . LEU 31 31 34018 1 . ARG 32 32 34018 1 . SER 33 33 34018 1 . MET 34 34 34018 1 . LEU 35 35 34018 1 . ALA 36 36 34018 1 . THR 37 37 34018 1 . ALA 38 38 34018 1 . LEU 39 39 34018 1 . GLU 40 40 34018 1 . LYS 41 41 34018 1 . ASP 42 42 34018 1 . ILE 43 43 34018 1 . SER 44 44 34018 1 . GLN 45 45 34018 1 . GLU 46 46 34018 1 . GLU 47 47 34018 1 . ARG 48 48 34018 1 . ASN 49 49 34018 1 . ALA 50 50 34018 1 . LEU 51 51 34018 1 . ASN 52 52 34018 1 . ILE 53 53 34018 1 . ALA 54 54 34018 1 . GLU 55 55 34018 1 . LYS 56 56 34018 1 . ALA 57 57 34018 1 . LEU 58 58 34018 1 . ASP 59 59 34018 1 . ASN 60 60 34018 1 . SER 61 61 34018 1 . GLU 62 62 34018 1 . TYR 63 63 34018 1 . LEU 64 64 34018 1 . PRO 65 65 34018 1 . LYS 66 66 34018 1 . ILE 67 67 34018 1 . ILE 68 68 34018 1 . LEU 69 69 34018 1 . ASN 70 70 34018 1 . LEU 71 71 34018 1 . ARG 72 72 34018 1 . LYS 73 73 34018 1 . ALA 74 74 34018 1 . LEU 75 75 34018 1 . THR 76 76 34018 1 . PRO 77 77 34018 1 . LEU 78 78 34018 1 . ALA 79 79 34018 1 . ILE 80 80 34018 1 . ASN 81 81 34018 1 . ARG 82 82 34018 1 . THR 83 83 34018 1 . LEU 84 84 34018 1 . ASN 85 85 34018 1 . HIS 86 86 34018 1 . ASP 87 87 34018 1 . LEU 88 88 34018 1 . SER 89 89 34018 1 . GLU 90 90 34018 1 . LEU 91 91 34018 1 . TYR 92 92 34018 1 . LYS 93 93 34018 1 . PHE 94 94 34018 1 . ILE 95 95 34018 1 . THR 96 96 34018 1 . SER 97 97 34018 1 . SER 98 98 34018 1 . LYS 99 99 34018 1 . ALA 100 100 34018 1 . SER 101 101 34018 1 . ASN 102 102 34018 1 . LYS 103 103 34018 1 . ASN 104 104 34018 1 . LEU 105 105 34018 1 . GLY 106 106 34018 1 . GLY 107 107 34018 1 . GLY 108 108 34018 1 . LEU 109 109 34018 1 . ILE 110 110 34018 1 . MET 111 111 34018 1 . SER 112 112 34018 1 . TRP 113 113 34018 1 . GLY 114 114 34018 1 . ARG 115 115 34018 1 . LEU 116 116 34018 1 . PHE 117 117 34018 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 34018 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1360 organism . 'Lactococcus lactis subsp. lactis' 'Lactococcus lactis' . . Bacteria . Lactococcus lactis . . . . . . . . . . . lciA . 34018 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 34018 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34018 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34018 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-100% 13C; U-100% 15N] lactococcin A immunity protein, 90% H2O/10% D2O' _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 'lactococcin A immunity protein' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34018 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 34018 _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' 0.4 . M 34018 1 pH 7.0 . pH 34018 1 pressure 1 . atm 34018 1 temperature 298 . K 34018 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34018 _Software.ID 1 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34018 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34018 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34018 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34018 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34018 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34018 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34018 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34018 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34018 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 34018 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 800 . . . 34018 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 34018 _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 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34018 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34018 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34018 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34018 1 5 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34018 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34018 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34018 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34018 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34018 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34018 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34018 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34018 1 13 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34018 1 14 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34018 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34018 _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 0.000 internal indirect 0.25144953 . . . . . 34018 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34018 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34018 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34018 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 34018 1 2 '3D HNCA' . . . 34018 1 3 '3D HNCACB' . . . 34018 1 4 '3D HN(CO)CA' . . . 34018 1 5 '3D HN(COCA)CB' . . . 34018 1 6 '3D HN(CA)CO' . . . 34018 1 7 '3D 1H-15N NOESY' . . . 34018 1 8 '3D 1H-15N TOCSY' . . . 34018 1 9 '3D HCCH-TOCSY' . . . 34018 1 10 '3D 1H-13C NOESY aliphatic' . . . 34018 1 11 '3D 1H-13C NOESY aromatic' . . . 34018 1 12 '2D 1H-15N HSQC' . . . 34018 1 13 '2D 1H-13C HSQC aliphatic' . . . 34018 1 14 '2D 1H-13C HSQC aromatic' . . . 34018 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 12 12 SER C C 13 175.106 . . 1 . 880 . A 12 SER C . 34018 1 2 . 1 1 12 12 SER CA C 13 58.899 0.0 . 1 . 392 . A 12 SER CA . 34018 1 3 . 1 1 12 12 SER CB C 13 63.862 . . 1 . 393 . A 12 SER CB . 34018 1 4 . 1 1 13 13 GLY H H 1 8.366 0.007 . 1 . 331 . A 13 GLY H . 34018 1 5 . 1 1 13 13 GLY HA3 H 1 3.923 . . 1 . 1017 . A 13 GLY HA3 . 34018 1 6 . 1 1 13 13 GLY C C 13 174.362 . . 1 . 881 . A 13 GLY C . 34018 1 7 . 1 1 13 13 GLY CA C 13 45.616 0.0 . 1 . 332 . A 13 GLY CA . 34018 1 8 . 1 1 13 13 GLY N N 15 110.719 0.009 . 1 . 333 . A 13 GLY N . 34018 1 9 . 1 1 14 14 ILE H H 1 7.940 0.004 . 1 . 232 . A 14 ILE H . 34018 1 10 . 1 1 14 14 ILE HA H 1 4.041 0.002 . 1 . 419 . A 14 ILE HA . 34018 1 11 . 1 1 14 14 ILE HB H 1 1.776 0.002 . 1 . 553 . A 14 ILE HB . 34018 1 12 . 1 1 14 14 ILE HG12 H 1 1.340 0.006 . 2 . 556 . A 14 ILE HG12 . 34018 1 13 . 1 1 14 14 ILE HG13 H 1 1.077 0.004 . 2 . 554 . A 14 ILE HG13 . 34018 1 14 . 1 1 14 14 ILE HG21 H 1 0.807 0.006 . 1 . 557 . A 14 ILE HG21 . 34018 1 15 . 1 1 14 14 ILE HG22 H 1 0.807 0.006 . 1 . 557 . A 14 ILE HG22 . 34018 1 16 . 1 1 14 14 ILE HG23 H 1 0.807 0.006 . 1 . 557 . A 14 ILE HG23 . 34018 1 17 . 1 1 14 14 ILE HD11 H 1 0.764 0.001 . 1 . 559 . A 14 ILE HD11 . 34018 1 18 . 1 1 14 14 ILE HD12 H 1 0.764 0.001 . 1 . 559 . A 14 ILE HD12 . 34018 1 19 . 1 1 14 14 ILE HD13 H 1 0.764 0.001 . 1 . 559 . A 14 ILE HD13 . 34018 1 20 . 1 1 14 14 ILE C C 13 176.658 . . 1 . 882 . A 14 ILE C . 34018 1 21 . 1 1 14 14 ILE CA C 13 61.730 0.082 . 1 . 233 . A 14 ILE CA . 34018 1 22 . 1 1 14 14 ILE CB C 13 38.607 0.028 . 1 . 235 . A 14 ILE CB . 34018 1 23 . 1 1 14 14 ILE CG1 C 13 27.340 0.028 . 1 . 555 . A 14 ILE CG1 . 34018 1 24 . 1 1 14 14 ILE CG2 C 13 17.485 0.015 . 1 . 558 . A 14 ILE CG2 . 34018 1 25 . 1 1 14 14 ILE CD1 C 13 13.095 0.007 . 1 . 560 . A 14 ILE CD1 . 34018 1 26 . 1 1 14 14 ILE N N 15 119.722 0.022 . 1 . 234 . A 14 ILE N . 34018 1 27 . 1 1 15 15 GLU H H 1 8.512 0.005 . 1 . 122 . A 15 GLU H . 34018 1 28 . 1 1 15 15 GLU HA H 1 4.173 0.001 . 1 . 420 . A 15 GLU HA . 34018 1 29 . 1 1 15 15 GLU HB2 H 1 1.970 0.002 . 2 . 760 . A 15 GLU HB2 . 34018 1 30 . 1 1 15 15 GLU HB3 H 1 1.901 0.004 . 2 . 759 . A 15 GLU HB3 . 34018 1 31 . 1 1 15 15 GLU HG3 H 1 2.199 0.008 . 1 . 762 . A 15 GLU HG3 . 34018 1 32 . 1 1 15 15 GLU C C 13 177.283 . . 1 . 883 . A 15 GLU C . 34018 1 33 . 1 1 15 15 GLU CA C 13 57.268 0.094 . 1 . 123 . A 15 GLU CA . 34018 1 34 . 1 1 15 15 GLU CB C 13 29.868 0.033 . 1 . 125 . A 15 GLU CB . 34018 1 35 . 1 1 15 15 GLU CG C 13 36.280 0.018 . 1 . 761 . A 15 GLU CG . 34018 1 36 . 1 1 15 15 GLU N N 15 124.059 0.03 . 1 . 124 . A 15 GLU N . 34018 1 37 . 1 1 16 16 GLY H H 1 8.328 0.006 . 1 . 15 . A 16 GLY H . 34018 1 38 . 1 1 16 16 GLY HA3 H 1 3.898 . . 1 . 745 . A 16 GLY HA3 . 34018 1 39 . 1 1 16 16 GLY C C 13 174.796 . . 1 . 884 . A 16 GLY C . 34018 1 40 . 1 1 16 16 GLY CA C 13 45.881 0.0 . 1 . 16 . A 16 GLY CA . 34018 1 41 . 1 1 16 16 GLY N N 15 109.626 0.043 . 1 . 17 . A 16 GLY N . 34018 1 42 . 1 1 17 17 ARG H H 1 8.195 0.014 . 1 . 380 . A 17 ARG H . 34018 1 43 . 1 1 17 17 ARG C C 13 177.516 . . 1 . 885 . A 17 ARG C . 34018 1 44 . 1 1 17 17 ARG CA C 13 57.316 0.001 . 1 . 383 . A 17 ARG CA . 34018 1 45 . 1 1 17 17 ARG CB C 13 30.378 . . 1 . 381 . A 17 ARG CB . 34018 1 46 . 1 1 17 17 ARG N N 15 120.851 0.002 . 1 . 382 . A 17 ARG N . 34018 1 47 . 1 1 18 18 GLY H H 1 8.522 0.005 . 1 . 384 . A 18 GLY H . 34018 1 48 . 1 1 18 18 GLY CA C 13 46.216 0.001 . 1 . 387 . A 18 GLY CA . 34018 1 49 . 1 1 18 18 GLY N N 15 109.382 0.0 . 1 . 386 . A 18 GLY N . 34018 1 50 . 1 1 19 19 ARG H H 1 8.133 0.005 . 1 . 388 . A 19 ARG H . 34018 1 51 . 1 1 19 19 ARG C C 13 177.429 . . 1 . 887 . A 19 ARG C . 34018 1 52 . 1 1 19 19 ARG CA C 13 57.684 . . 1 . 390 . A 19 ARG CA . 34018 1 53 . 1 1 19 19 ARG CB C 13 30.212 . . 1 . 391 . A 19 ARG CB . 34018 1 54 . 1 1 19 19 ARG N N 15 121.322 0.001 . 1 . 389 . A 19 ARG N . 34018 1 55 . 1 1 20 20 MET H H 1 8.175 0.006 . 1 . 295 . A 20 MET H . 34018 1 56 . 1 1 20 20 MET CA C 13 57.127 0.001 . 1 . 296 . A 20 MET CA . 34018 1 57 . 1 1 20 20 MET CB C 13 32.544 . . 1 . 298 . A 20 MET CB . 34018 1 58 . 1 1 20 20 MET N N 15 119.751 0.003 . 1 . 297 . A 20 MET N . 34018 1 59 . 1 1 24 24 GLN HA H 1 4.011 . . 1 . 1018 . A 24 GLN HA . 34018 1 60 . 1 1 24 24 GLN HB2 H 1 2.075 0.003 . 2 . 1020 . A 24 GLN HB2 . 34018 1 61 . 1 1 24 24 GLN HB3 H 1 2.227 0.002 . 2 . 1019 . A 24 GLN HB3 . 34018 1 62 . 1 1 24 24 GLN C C 13 177.571 . . 1 . 890 . A 24 GLN C . 34018 1 63 . 1 1 25 25 ILE H H 1 8.063 0.006 . 1 . 279 . A 25 ILE H . 34018 1 64 . 1 1 25 25 ILE HA H 1 3.864 0.005 . 1 . 521 . A 25 ILE HA . 34018 1 65 . 1 1 25 25 ILE HB H 1 1.881 0.003 . 1 . 520 . A 25 ILE HB . 34018 1 66 . 1 1 25 25 ILE HG12 H 1 1.577 0.007 . 2 . 519 . A 25 ILE HG12 . 34018 1 67 . 1 1 25 25 ILE HG13 H 1 1.167 0.002 . 2 . 517 . A 25 ILE HG13 . 34018 1 68 . 1 1 25 25 ILE HG21 H 1 0.882 0.003 . 1 . 522 . A 25 ILE HG21 . 34018 1 69 . 1 1 25 25 ILE HG22 H 1 0.882 0.003 . 1 . 522 . A 25 ILE HG22 . 34018 1 70 . 1 1 25 25 ILE HG23 H 1 0.882 0.003 . 1 . 522 . A 25 ILE HG23 . 34018 1 71 . 1 1 25 25 ILE HD11 H 1 0.799 0.003 . 1 . 524 . A 25 ILE HD11 . 34018 1 72 . 1 1 25 25 ILE HD12 H 1 0.799 0.003 . 1 . 524 . A 25 ILE HD12 . 34018 1 73 . 1 1 25 25 ILE HD13 H 1 0.799 0.003 . 1 . 524 . A 25 ILE HD13 . 34018 1 74 . 1 1 25 25 ILE C C 13 177.907 . . 1 . 888 . A 25 ILE C . 34018 1 75 . 1 1 25 25 ILE CA C 13 63.962 0.081 . 1 . 402 . A 25 ILE CA . 34018 1 76 . 1 1 25 25 ILE CB C 13 38.251 0.016 . 1 . 401 . A 25 ILE CB . 34018 1 77 . 1 1 25 25 ILE CG1 C 13 28.610 0.049 . 1 . 518 . A 25 ILE CG1 . 34018 1 78 . 1 1 25 25 ILE CG2 C 13 17.322 0.018 . 1 . 523 . A 25 ILE CG2 . 34018 1 79 . 1 1 25 25 ILE CD1 C 13 13.301 0.031 . 1 . 525 . A 25 ILE CD1 . 34018 1 80 . 1 1 25 25 ILE N N 15 121.112 0.033 . 1 . 280 . A 25 ILE N . 34018 1 81 . 1 1 26 26 GLU H H 1 8.188 0.016 . 1 . 299 . A 26 GLU H . 34018 1 82 . 1 1 26 26 GLU HA H 1 4.044 0.005 . 1 . 1032 . A 26 GLU HA . 34018 1 83 . 1 1 26 26 GLU HB3 H 1 2.415 0.002 . 1 . 1030 . A 26 GLU HB3 . 34018 1 84 . 1 1 26 26 GLU C C 13 179.275 . . 1 . 894 . A 26 GLU C . 34018 1 85 . 1 1 26 26 GLU CA C 13 59.637 . . 1 . 300 . A 26 GLU CA . 34018 1 86 . 1 1 26 26 GLU CB C 13 29.524 . . 1 . 364 . A 26 GLU CB . 34018 1 87 . 1 1 26 26 GLU N N 15 120.155 0.062 . 1 . 301 . A 26 GLU N . 34018 1 88 . 1 1 27 27 PHE H H 1 8.114 0.005 . 1 . 281 . A 27 PHE H . 34018 1 89 . 1 1 27 27 PHE HA H 1 4.253 0.002 . 1 . 584 . A 27 PHE HA . 34018 1 90 . 1 1 27 27 PHE HB2 H 1 3.195 0.005 . 2 . 585 . A 27 PHE HB2 . 34018 1 91 . 1 1 27 27 PHE HB3 H 1 3.136 0.001 . 2 . 583 . A 27 PHE HB3 . 34018 1 92 . 1 1 27 27 PHE HD1 H 1 6.970 0.006 . 1 . 718 . A 27 PHE HD1 . 34018 1 93 . 1 1 27 27 PHE HD2 H 1 6.970 0.006 . 1 . 718 . A 27 PHE HD2 . 34018 1 94 . 1 1 27 27 PHE HE1 H 1 6.655 0.006 . 1 . 721 . A 27 PHE HE1 . 34018 1 95 . 1 1 27 27 PHE HE2 H 1 6.655 0.006 . 1 . 721 . A 27 PHE HE2 . 34018 1 96 . 1 1 27 27 PHE HZ H 1 6.584 0.001 . 1 . 724 . A 27 PHE HZ . 34018 1 97 . 1 1 27 27 PHE C C 13 177.138 . . 1 . 892 . A 27 PHE C . 34018 1 98 . 1 1 27 27 PHE CA C 13 61.837 0.085 . 1 . 282 . A 27 PHE CA . 34018 1 99 . 1 1 27 27 PHE CB C 13 39.545 0.046 . 1 . 287 . A 27 PHE CB . 34018 1 100 . 1 1 27 27 PHE CD1 C 13 132.117 0.069 . 1 . 717 . A 27 PHE CD1 . 34018 1 101 . 1 1 27 27 PHE CD2 C 13 132.117 0.069 . 1 . 717 . A 27 PHE CD2 . 34018 1 102 . 1 1 27 27 PHE CE1 C 13 130.694 0.034 . 1 . 722 . A 27 PHE CE1 . 34018 1 103 . 1 1 27 27 PHE CE2 C 13 130.694 0.034 . 1 . 722 . A 27 PHE CE2 . 34018 1 104 . 1 1 27 27 PHE CZ C 13 128.456 0.04 . 1 . 723 . A 27 PHE CZ . 34018 1 105 . 1 1 27 27 PHE N N 15 121.250 0.011 . 1 . 283 . A 27 PHE N . 34018 1 106 . 1 1 28 28 GLU H H 1 8.764 0.007 . 1 . 158 . A 28 GLU H . 34018 1 107 . 1 1 28 28 GLU HA H 1 3.703 0.005 . 1 . 421 . A 28 GLU HA . 34018 1 108 . 1 1 28 28 GLU HB2 H 1 2.141 0.005 . 2 . 795 . A 28 GLU HB2 . 34018 1 109 . 1 1 28 28 GLU HB3 H 1 2.239 0.003 . 2 . 794 . A 28 GLU HB3 . 34018 1 110 . 1 1 28 28 GLU HG2 H 1 2.173 0.005 . 2 . 798 . A 28 GLU HG2 . 34018 1 111 . 1 1 28 28 GLU HG3 H 1 2.422 0.004 . 2 . 797 . A 28 GLU HG3 . 34018 1 112 . 1 1 28 28 GLU C C 13 178.151 . . 1 . 893 . A 28 GLU C . 34018 1 113 . 1 1 28 28 GLU CA C 13 60.832 0.002 . 1 . 159 . A 28 GLU CA . 34018 1 114 . 1 1 28 28 GLU CB C 13 29.445 0.019 . 1 . 161 . A 28 GLU CB . 34018 1 115 . 1 1 28 28 GLU CG C 13 37.347 0.022 . 1 . 796 . A 28 GLU CG . 34018 1 116 . 1 1 28 28 GLU N N 15 119.341 0.016 . 1 . 160 . A 28 GLU N . 34018 1 117 . 1 1 29 29 ASN H H 1 8.392 0.008 . 1 . 193 . A 29 ASN H . 34018 1 118 . 1 1 29 29 ASN HA H 1 4.359 0.012 . 1 . 422 . A 29 ASN HA . 34018 1 119 . 1 1 29 29 ASN HB2 H 1 2.740 0.001 . 2 . 424 . A 29 ASN HB2 . 34018 1 120 . 1 1 29 29 ASN HB3 H 1 2.861 0.003 . 2 . 423 . A 29 ASN HB3 . 34018 1 121 . 1 1 29 29 ASN HD21 H 1 7.605 0.001 . 1 . 1033 . A 29 ASN HD21 . 34018 1 122 . 1 1 29 29 ASN HD22 H 1 6.792 0.001 . 1 . 1035 . A 29 ASN HD22 . 34018 1 123 . 1 1 29 29 ASN C C 13 178.253 . . 1 . 895 . A 29 ASN C . 34018 1 124 . 1 1 29 29 ASN CA C 13 56.150 0.09 . 1 . 194 . A 29 ASN CA . 34018 1 125 . 1 1 29 29 ASN CB C 13 37.946 0.02 . 1 . 196 . A 29 ASN CB . 34018 1 126 . 1 1 29 29 ASN N N 15 117.121 0.02 . 1 . 195 . A 29 ASN N . 34018 1 127 . 1 1 29 29 ASN ND2 N 15 112.005 0.014 . 1 . 1034 . A 29 ASN ND2 . 34018 1 128 . 1 1 30 30 GLU H H 1 7.866 0.011 . 1 . 98 . A 30 GLU H . 34018 1 129 . 1 1 30 30 GLU HA H 1 3.867 0.004 . 1 . 425 . A 30 GLU HA . 34018 1 130 . 1 1 30 30 GLU HB2 H 1 1.676 0.008 . 2 . 764 . A 30 GLU HB2 . 34018 1 131 . 1 1 30 30 GLU HB3 H 1 1.912 0.004 . 2 . 763 . A 30 GLU HB3 . 34018 1 132 . 1 1 30 30 GLU HG2 H 1 1.971 0.005 . 2 . 767 . A 30 GLU HG2 . 34018 1 133 . 1 1 30 30 GLU HG3 H 1 1.713 0.007 . 2 . 766 . A 30 GLU HG3 . 34018 1 134 . 1 1 30 30 GLU C C 13 178.460 . . 1 . 897 . A 30 GLU C . 34018 1 135 . 1 1 30 30 GLU CA C 13 59.440 0.081 . 1 . 101 . A 30 GLU CA . 34018 1 136 . 1 1 30 30 GLU CB C 13 29.397 0.017 . 1 . 99 . A 30 GLU CB . 34018 1 137 . 1 1 30 30 GLU CG C 13 35.959 0.043 . 1 . 765 . A 30 GLU CG . 34018 1 138 . 1 1 30 30 GLU N N 15 122.790 0.032 . 1 . 100 . A 30 GLU N . 34018 1 139 . 1 1 31 31 LEU H H 1 8.531 0.012 . 1 . 133 . A 31 LEU H . 34018 1 140 . 1 1 31 31 LEU HA H 1 3.624 0.004 . 1 . 426 . A 31 LEU HA . 34018 1 141 . 1 1 31 31 LEU HB2 H 1 1.936 0.01 . 2 . 694 . A 31 LEU HB2 . 34018 1 142 . 1 1 31 31 LEU HB3 H 1 1.248 0.003 . 2 . 693 . A 31 LEU HB3 . 34018 1 143 . 1 1 31 31 LEU HG H 1 1.414 0.004 . 1 . 691 . A 31 LEU HG . 34018 1 144 . 1 1 31 31 LEU HD11 H 1 0.758 0.006 . 2 . 696 . A 31 LEU HD11 . 34018 1 145 . 1 1 31 31 LEU HD12 H 1 0.758 0.006 . 2 . 696 . A 31 LEU HD12 . 34018 1 146 . 1 1 31 31 LEU HD13 H 1 0.758 0.006 . 2 . 696 . A 31 LEU HD13 . 34018 1 147 . 1 1 31 31 LEU HD21 H 1 0.853 0.004 . 2 . 698 . A 31 LEU HD21 . 34018 1 148 . 1 1 31 31 LEU HD22 H 1 0.853 0.004 . 2 . 698 . A 31 LEU HD22 . 34018 1 149 . 1 1 31 31 LEU HD23 H 1 0.853 0.004 . 2 . 698 . A 31 LEU HD23 . 34018 1 150 . 1 1 31 31 LEU C C 13 178.193 . . 1 . 896 . A 31 LEU C . 34018 1 151 . 1 1 31 31 LEU CA C 13 57.954 0.085 . 1 . 135 . A 31 LEU CA . 34018 1 152 . 1 1 31 31 LEU CB C 13 41.421 0.023 . 1 . 136 . A 31 LEU CB . 34018 1 153 . 1 1 31 31 LEU CG C 13 26.543 . . 1 . 692 . A 31 LEU CG . 34018 1 154 . 1 1 31 31 LEU CD1 C 13 22.861 0.07 . 2 . 695 . A 31 LEU CD1 . 34018 1 155 . 1 1 31 31 LEU CD2 C 13 26.631 0.045 . 2 . 697 . A 31 LEU CD2 . 34018 1 156 . 1 1 31 31 LEU N N 15 120.458 0.014 . 1 . 134 . A 31 LEU N . 34018 1 157 . 1 1 32 32 ARG H H 1 8.735 0.01 . 1 . 181 . A 32 ARG H . 34018 1 158 . 1 1 32 32 ARG HA H 1 3.684 0.003 . 1 . 856 . A 32 ARG HA . 34018 1 159 . 1 1 32 32 ARG HB2 H 1 1.914 0.004 . 2 . 857 . A 32 ARG HB2 . 34018 1 160 . 1 1 32 32 ARG HB3 H 1 1.805 0.005 . 2 . 855 . A 32 ARG HB3 . 34018 1 161 . 1 1 32 32 ARG HG2 H 1 1.804 0.005 . 2 . 860 . A 32 ARG HG2 . 34018 1 162 . 1 1 32 32 ARG HG3 H 1 1.569 0.001 . 2 . 859 . A 32 ARG HG3 . 34018 1 163 . 1 1 32 32 ARG HD2 H 1 3.117 . . 2 . 863 . A 32 ARG HD2 . 34018 1 164 . 1 1 32 32 ARG HD3 H 1 3.169 . . 2 . 862 . A 32 ARG HD3 . 34018 1 165 . 1 1 32 32 ARG C C 13 179.170 . . 1 . 898 . A 32 ARG C . 34018 1 166 . 1 1 32 32 ARG CA C 13 60.488 0.09 . 1 . 184 . A 32 ARG CA . 34018 1 167 . 1 1 32 32 ARG CB C 13 30.129 0.078 . 1 . 182 . A 32 ARG CB . 34018 1 168 . 1 1 32 32 ARG CG C 13 29.539 0.051 . 1 . 858 . A 32 ARG CG . 34018 1 169 . 1 1 32 32 ARG CD C 13 43.343 . . 1 . 861 . A 32 ARG CD . 34018 1 170 . 1 1 32 32 ARG N N 15 117.413 0.016 . 1 . 183 . A 32 ARG N . 34018 1 171 . 1 1 33 33 SER H H 1 7.567 0.01 . 1 . 314 . A 33 SER H . 34018 1 172 . 1 1 33 33 SER HA H 1 4.170 0.002 . 1 . 427 . A 33 SER HA . 34018 1 173 . 1 1 33 33 SER HB3 H 1 3.860 0.002 . 1 . 428 . A 33 SER HB3 . 34018 1 174 . 1 1 33 33 SER C C 13 177.020 . . 1 . 899 . A 33 SER C . 34018 1 175 . 1 1 33 33 SER CA C 13 61.377 0.09 . 1 . 316 . A 33 SER CA . 34018 1 176 . 1 1 33 33 SER CB C 13 62.671 0.017 . 1 . 362 . A 33 SER CB . 34018 1 177 . 1 1 33 33 SER N N 15 114.130 0.018 . 1 . 315 . A 33 SER N . 34018 1 178 . 1 1 34 34 MET H H 1 7.961 0.013 . 1 . 353 . A 34 MET H . 34018 1 179 . 1 1 34 34 MET HA H 1 3.944 0.004 . 1 . 429 . A 34 MET HA . 34018 1 180 . 1 1 34 34 MET HB2 H 1 1.930 0.003 . 2 . 731 . A 34 MET HB2 . 34018 1 181 . 1 1 34 34 MET HB3 H 1 1.687 0.007 . 2 . 730 . A 34 MET HB3 . 34018 1 182 . 1 1 34 34 MET HG2 H 1 2.189 0.002 . 2 . 729 . A 34 MET HG2 . 34018 1 183 . 1 1 34 34 MET HG3 H 1 2.395 0.003 . 2 . 728 . A 34 MET HG3 . 34018 1 184 . 1 1 34 34 MET HE1 H 1 1.405 0.002 . 1 . 732 . A 34 MET HE1 . 34018 1 185 . 1 1 34 34 MET HE2 H 1 1.405 0.002 . 1 . 732 . A 34 MET HE2 . 34018 1 186 . 1 1 34 34 MET HE3 H 1 1.405 0.002 . 1 . 732 . A 34 MET HE3 . 34018 1 187 . 1 1 34 34 MET C C 13 179.935 . . 1 . 900 . A 34 MET C . 34018 1 188 . 1 1 34 34 MET CA C 13 59.645 0.097 . 1 . 355 . A 34 MET CA . 34018 1 189 . 1 1 34 34 MET CB C 13 34.113 0.017 . 1 . 361 . A 34 MET CB . 34018 1 190 . 1 1 34 34 MET CG C 13 33.026 0.022 . 1 . 727 . A 34 MET CG . 34018 1 191 . 1 1 34 34 MET CE C 13 17.493 0.011 . 1 . 733 . A 34 MET CE . 34018 1 192 . 1 1 34 34 MET N N 15 120.682 0.023 . 1 . 354 . A 34 MET N . 34018 1 193 . 1 1 35 35 LEU H H 1 8.624 0.008 . 1 . 137 . A 35 LEU H . 34018 1 194 . 1 1 35 35 LEU HA H 1 3.783 0.002 . 1 . 430 . A 35 LEU HA . 34018 1 195 . 1 1 35 35 LEU HB2 H 1 1.926 0.003 . 2 . 684 . A 35 LEU HB2 . 34018 1 196 . 1 1 35 35 LEU HB3 H 1 1.251 0.004 . 2 . 683 . A 35 LEU HB3 . 34018 1 197 . 1 1 35 35 LEU HG H 1 1.766 0.005 . 1 . 685 . A 35 LEU HG . 34018 1 198 . 1 1 35 35 LEU HD11 H 1 0.792 0.005 . 2 . 688 . A 35 LEU HD11 . 34018 1 199 . 1 1 35 35 LEU HD12 H 1 0.792 0.005 . 2 . 688 . A 35 LEU HD12 . 34018 1 200 . 1 1 35 35 LEU HD13 H 1 0.792 0.005 . 2 . 688 . A 35 LEU HD13 . 34018 1 201 . 1 1 35 35 LEU HD21 H 1 0.676 0.003 . 2 . 690 . A 35 LEU HD21 . 34018 1 202 . 1 1 35 35 LEU HD22 H 1 0.676 0.003 . 2 . 690 . A 35 LEU HD22 . 34018 1 203 . 1 1 35 35 LEU HD23 H 1 0.676 0.003 . 2 . 690 . A 35 LEU HD23 . 34018 1 204 . 1 1 35 35 LEU C C 13 177.117 . . 1 . 901 . A 35 LEU C . 34018 1 205 . 1 1 35 35 LEU CA C 13 58.287 0.08 . 1 . 140 . A 35 LEU CA . 34018 1 206 . 1 1 35 35 LEU CB C 13 42.174 0.022 . 1 . 139 . A 35 LEU CB . 34018 1 207 . 1 1 35 35 LEU CG C 13 26.555 0.016 . 1 . 686 . A 35 LEU CG . 34018 1 208 . 1 1 35 35 LEU CD1 C 13 24.668 0.013 . 2 . 687 . A 35 LEU CD1 . 34018 1 209 . 1 1 35 35 LEU CD2 C 13 26.547 0.009 . 2 . 689 . A 35 LEU CD2 . 34018 1 210 . 1 1 35 35 LEU N N 15 120.547 0.008 . 1 . 138 . A 35 LEU N . 34018 1 211 . 1 1 36 36 ALA H H 1 7.853 0.01 . 1 . 224 . A 36 ALA H . 34018 1 212 . 1 1 36 36 ALA HA H 1 3.946 0.001 . 1 . 431 . A 36 ALA HA . 34018 1 213 . 1 1 36 36 ALA HB1 H 1 1.424 0.003 . 1 . 432 . A 36 ALA HB1 . 34018 1 214 . 1 1 36 36 ALA HB2 H 1 1.424 0.003 . 1 . 432 . A 36 ALA HB2 . 34018 1 215 . 1 1 36 36 ALA HB3 H 1 1.424 0.003 . 1 . 432 . A 36 ALA HB3 . 34018 1 216 . 1 1 36 36 ALA C C 13 180.927 . . 1 . 907 . A 36 ALA C . 34018 1 217 . 1 1 36 36 ALA CA C 13 55.235 0.085 . 1 . 225 . A 36 ALA CA . 34018 1 218 . 1 1 36 36 ALA CB C 13 18.035 0.02 . 1 . 227 . A 36 ALA CB . 34018 1 219 . 1 1 36 36 ALA N N 15 119.272 0.012 . 1 . 226 . A 36 ALA N . 34018 1 220 . 1 1 37 37 THR H H 1 7.670 0.009 . 1 . 317 . A 37 THR H . 34018 1 221 . 1 1 37 37 THR HA H 1 3.812 0.009 . 1 . 593 . A 37 THR HA . 34018 1 222 . 1 1 37 37 THR HB H 1 3.970 0.004 . 1 . 592 . A 37 THR HB . 34018 1 223 . 1 1 37 37 THR HG21 H 1 1.134 0.003 . 1 . 433 . A 37 THR HG21 . 34018 1 224 . 1 1 37 37 THR HG22 H 1 1.134 0.003 . 1 . 433 . A 37 THR HG22 . 34018 1 225 . 1 1 37 37 THR HG23 H 1 1.134 0.003 . 1 . 433 . A 37 THR HG23 . 34018 1 226 . 1 1 37 37 THR C C 13 176.352 . . 1 . 903 . A 37 THR C . 34018 1 227 . 1 1 37 37 THR CA C 13 66.074 0.089 . 1 . 318 . A 37 THR CA . 34018 1 228 . 1 1 37 37 THR CB C 13 69.078 0.016 . 1 . 403 . A 37 THR CB . 34018 1 229 . 1 1 37 37 THR CG2 C 13 21.706 0.01 . 1 . 594 . A 37 THR CG2 . 34018 1 230 . 1 1 37 37 THR N N 15 112.961 0.037 . 1 . 319 . A 37 THR N . 34018 1 231 . 1 1 38 38 ALA H H 1 7.595 0.008 . 1 . 82 . A 38 ALA H . 34018 1 232 . 1 1 38 38 ALA HA H 1 3.931 0.002 . 1 . 434 . A 38 ALA HA . 34018 1 233 . 1 1 38 38 ALA HB1 H 1 1.255 0.002 . 1 . 435 . A 38 ALA HB1 . 34018 1 234 . 1 1 38 38 ALA HB2 H 1 1.255 0.002 . 1 . 435 . A 38 ALA HB2 . 34018 1 235 . 1 1 38 38 ALA HB3 H 1 1.255 0.002 . 1 . 435 . A 38 ALA HB3 . 34018 1 236 . 1 1 38 38 ALA C C 13 179.061 . . 1 . 902 . A 38 ALA C . 34018 1 237 . 1 1 38 38 ALA CA C 13 55.161 0.086 . 1 . 84 . A 38 ALA CA . 34018 1 238 . 1 1 38 38 ALA CB C 13 18.897 0.012 . 1 . 85 . A 38 ALA CB . 34018 1 239 . 1 1 38 38 ALA N N 15 123.453 0.026 . 1 . 83 . A 38 ALA N . 34018 1 240 . 1 1 39 39 LEU H H 1 7.889 0.005 . 1 . 310 . A 39 LEU H . 34018 1 241 . 1 1 39 39 LEU HA H 1 3.920 0.005 . 1 . 436 . A 39 LEU HA . 34018 1 242 . 1 1 39 39 LEU HB2 H 1 1.446 0.006 . 2 . 682 . A 39 LEU HB2 . 34018 1 243 . 1 1 39 39 LEU HB3 H 1 1.862 0.002 . 2 . 681 . A 39 LEU HB3 . 34018 1 244 . 1 1 39 39 LEU HG H 1 1.628 0.003 . 1 . 679 . A 39 LEU HG . 34018 1 245 . 1 1 39 39 LEU HD11 H 1 0.686 0.004 . 2 . 676 . A 39 LEU HD11 . 34018 1 246 . 1 1 39 39 LEU HD12 H 1 0.686 0.004 . 2 . 676 . A 39 LEU HD12 . 34018 1 247 . 1 1 39 39 LEU HD13 H 1 0.686 0.004 . 2 . 676 . A 39 LEU HD13 . 34018 1 248 . 1 1 39 39 LEU HD21 H 1 0.872 0.004 . 2 . 678 . A 39 LEU HD21 . 34018 1 249 . 1 1 39 39 LEU HD22 H 1 0.872 0.004 . 2 . 678 . A 39 LEU HD22 . 34018 1 250 . 1 1 39 39 LEU HD23 H 1 0.872 0.004 . 2 . 678 . A 39 LEU HD23 . 34018 1 251 . 1 1 39 39 LEU C C 13 178.980 . . 1 . 906 . A 39 LEU C . 34018 1 252 . 1 1 39 39 LEU CA C 13 56.832 0.091 . 1 . 311 . A 39 LEU CA . 34018 1 253 . 1 1 39 39 LEU CB C 13 42.442 0.029 . 1 . 313 . A 39 LEU CB . 34018 1 254 . 1 1 39 39 LEU CG C 13 27.729 0.036 . 1 . 680 . A 39 LEU CG . 34018 1 255 . 1 1 39 39 LEU CD1 C 13 25.259 0.007 . 2 . 675 . A 39 LEU CD1 . 34018 1 256 . 1 1 39 39 LEU CD2 C 13 24.807 0.024 . 2 . 677 . A 39 LEU CD2 . 34018 1 257 . 1 1 39 39 LEU N N 15 114.168 0.007 . 1 . 312 . A 39 LEU N . 34018 1 258 . 1 1 40 40 GLU H H 1 7.214 0.006 . 1 . 47 . A 40 GLU H . 34018 1 259 . 1 1 40 40 GLU HA H 1 4.290 0.002 . 1 . 437 . A 40 GLU HA . 34018 1 260 . 1 1 40 40 GLU HB2 H 1 2.064 0.004 . 2 . 769 . A 40 GLU HB2 . 34018 1 261 . 1 1 40 40 GLU HB3 H 1 2.155 0.003 . 2 . 768 . A 40 GLU HB3 . 34018 1 262 . 1 1 40 40 GLU HG2 H 1 2.511 0.004 . 2 . 772 . A 40 GLU HG2 . 34018 1 263 . 1 1 40 40 GLU HG3 H 1 2.209 0.005 . 2 . 771 . A 40 GLU HG3 . 34018 1 264 . 1 1 40 40 GLU C C 13 176.969 . . 1 . 904 . A 40 GLU C . 34018 1 265 . 1 1 40 40 GLU CA C 13 56.855 0.0 . 1 . 48 . A 40 GLU CA . 34018 1 266 . 1 1 40 40 GLU CB C 13 30.345 0.008 . 1 . 50 . A 40 GLU CB . 34018 1 267 . 1 1 40 40 GLU CG C 13 36.234 0.015 . 1 . 770 . A 40 GLU CG . 34018 1 268 . 1 1 40 40 GLU N N 15 117.316 0.009 . 1 . 49 . A 40 GLU N . 34018 1 269 . 1 1 41 41 LYS H H 1 7.447 0.004 . 1 . 71 . A 41 LYS H . 34018 1 270 . 1 1 41 41 LYS HA H 1 4.363 0.002 . 1 . 438 . A 41 LYS HA . 34018 1 271 . 1 1 41 41 LYS HB2 H 1 1.820 0.001 . 2 . 800 . A 41 LYS HB2 . 34018 1 272 . 1 1 41 41 LYS HB3 H 1 2.007 0.002 . 2 . 799 . A 41 LYS HB3 . 34018 1 273 . 1 1 41 41 LYS HG2 H 1 1.269 0.004 . 2 . 803 . A 41 LYS HG2 . 34018 1 274 . 1 1 41 41 LYS HG3 H 1 1.699 0.003 . 2 . 802 . A 41 LYS HG3 . 34018 1 275 . 1 1 41 41 LYS HD3 H 1 1.473 0.002 . 1 . 805 . A 41 LYS HD3 . 34018 1 276 . 1 1 41 41 LYS HE2 H 1 2.790 0.006 . 2 . 808 . A 41 LYS HE2 . 34018 1 277 . 1 1 41 41 LYS HE3 H 1 2.823 0.001 . 2 . 807 . A 41 LYS HE3 . 34018 1 278 . 1 1 41 41 LYS C C 13 175.493 . . 1 . 908 . A 41 LYS C . 34018 1 279 . 1 1 41 41 LYS CA C 13 53.862 0.079 . 1 . 73 . A 41 LYS CA . 34018 1 280 . 1 1 41 41 LYS CB C 13 31.980 . . 1 . 357 . A 41 LYS CB . 34018 1 281 . 1 1 41 41 LYS CG C 13 24.697 0.01 . 1 . 801 . A 41 LYS CG . 34018 1 282 . 1 1 41 41 LYS CD C 13 27.600 . . 1 . 804 . A 41 LYS CD . 34018 1 283 . 1 1 41 41 LYS CE C 13 42.487 0.012 . 1 . 806 . A 41 LYS CE . 34018 1 284 . 1 1 41 41 LYS N N 15 118.704 0.012 . 1 . 72 . A 41 LYS N . 34018 1 285 . 1 1 42 42 ASP H H 1 8.275 0.004 . 1 . 247 . A 42 ASP H . 34018 1 286 . 1 1 42 42 ASP HA H 1 4.775 0.004 . 1 . 439 . A 42 ASP HA . 34018 1 287 . 1 1 42 42 ASP HB2 H 1 2.446 0.001 . 2 . 441 . A 42 ASP HB2 . 34018 1 288 . 1 1 42 42 ASP HB3 H 1 2.726 0.003 . 2 . 440 . A 42 ASP HB3 . 34018 1 289 . 1 1 42 42 ASP C C 13 175.717 . . 1 . 909 . A 42 ASP C . 34018 1 290 . 1 1 42 42 ASP CA C 13 53.714 0.0 . 1 . 360 . A 42 ASP CA . 34018 1 291 . 1 1 42 42 ASP CB C 13 39.345 0.006 . 1 . 248 . A 42 ASP CB . 34018 1 292 . 1 1 42 42 ASP N N 15 121.308 0.011 . 1 . 249 . A 42 ASP N . 34018 1 293 . 1 1 43 43 ILE H H 1 7.383 0.006 . 1 . 44 . A 43 ILE H . 34018 1 294 . 1 1 43 43 ILE HA H 1 4.565 0.002 . 1 . 442 . A 43 ILE HA . 34018 1 295 . 1 1 43 43 ILE HB H 1 2.246 0.003 . 1 . 498 . A 43 ILE HB . 34018 1 296 . 1 1 43 43 ILE HG12 H 1 1.104 0.003 . 2 . 497 . A 43 ILE HG12 . 34018 1 297 . 1 1 43 43 ILE HG13 H 1 1.318 0.005 . 2 . 495 . A 43 ILE HG13 . 34018 1 298 . 1 1 43 43 ILE HG21 H 1 0.604 0.003 . 1 . 493 . A 43 ILE HG21 . 34018 1 299 . 1 1 43 43 ILE HG22 H 1 0.604 0.003 . 1 . 493 . A 43 ILE HG22 . 34018 1 300 . 1 1 43 43 ILE HG23 H 1 0.604 0.003 . 1 . 493 . A 43 ILE HG23 . 34018 1 301 . 1 1 43 43 ILE HD11 H 1 0.601 0.003 . 1 . 491 . A 43 ILE HD11 . 34018 1 302 . 1 1 43 43 ILE HD12 H 1 0.601 0.003 . 1 . 491 . A 43 ILE HD12 . 34018 1 303 . 1 1 43 43 ILE HD13 H 1 0.601 0.003 . 1 . 491 . A 43 ILE HD13 . 34018 1 304 . 1 1 43 43 ILE C C 13 176.189 . . 1 . 910 . A 43 ILE C . 34018 1 305 . 1 1 43 43 ILE CA C 13 60.169 0.085 . 1 . 45 . A 43 ILE CA . 34018 1 306 . 1 1 43 43 ILE CB C 13 39.161 0.009 . 1 . 359 . A 43 ILE CB . 34018 1 307 . 1 1 43 43 ILE CG1 C 13 24.531 0.013 . 1 . 496 . A 43 ILE CG1 . 34018 1 308 . 1 1 43 43 ILE CG2 C 13 17.424 0.009 . 1 . 494 . A 43 ILE CG2 . 34018 1 309 . 1 1 43 43 ILE CD1 C 13 14.123 0.016 . 1 . 492 . A 43 ILE CD1 . 34018 1 310 . 1 1 43 43 ILE N N 15 115.639 0.022 . 1 . 46 . A 43 ILE N . 34018 1 311 . 1 1 44 44 SER H H 1 9.098 0.005 . 1 . 174 . A 44 SER H . 34018 1 312 . 1 1 44 44 SER HA H 1 4.440 0.004 . 1 . 443 . A 44 SER HA . 34018 1 313 . 1 1 44 44 SER HB2 H 1 3.987 0.004 . 2 . 735 . A 44 SER HB2 . 34018 1 314 . 1 1 44 44 SER HB3 H 1 4.342 0.002 . 2 . 734 . A 44 SER HB3 . 34018 1 315 . 1 1 44 44 SER C C 13 174.816 . . 1 . 911 . A 44 SER C . 34018 1 316 . 1 1 44 44 SER CA C 13 58.590 0.0 . 1 . 175 . A 44 SER CA . 34018 1 317 . 1 1 44 44 SER CB C 13 65.455 0.014 . 1 . 177 . A 44 SER CB . 34018 1 318 . 1 1 44 44 SER N N 15 118.767 0.023 . 1 . 176 . A 44 SER N . 34018 1 319 . 1 1 45 45 GLN H H 1 9.040 0.006 . 1 . 150 . A 45 GLN H . 34018 1 320 . 1 1 45 45 GLN HA H 1 3.953 0.002 . 1 . 741 . A 45 GLN HA . 34018 1 321 . 1 1 45 45 GLN HB2 H 1 1.985 0.003 . 2 . 742 . A 45 GLN HB2 . 34018 1 322 . 1 1 45 45 GLN HB3 H 1 2.113 0.003 . 2 . 740 . A 45 GLN HB3 . 34018 1 323 . 1 1 45 45 GLN HG3 H 1 2.359 0.004 . 1 . 744 . A 45 GLN HG3 . 34018 1 324 . 1 1 45 45 GLN C C 13 178.061 . . 1 . 912 . A 45 GLN C . 34018 1 325 . 1 1 45 45 GLN CA C 13 58.989 0.091 . 1 . 151 . A 45 GLN CA . 34018 1 326 . 1 1 45 45 GLN CB C 13 28.226 0.023 . 1 . 153 . A 45 GLN CB . 34018 1 327 . 1 1 45 45 GLN CG C 13 33.710 0.025 . 1 . 743 . A 45 GLN CG . 34018 1 328 . 1 1 45 45 GLN N N 15 121.407 0.016 . 1 . 152 . A 45 GLN N . 34018 1 329 . 1 1 46 46 GLU H H 1 8.703 0.008 . 1 . 154 . A 46 GLU H . 34018 1 330 . 1 1 46 46 GLU HA H 1 3.991 0.004 . 1 . 444 . A 46 GLU HA . 34018 1 331 . 1 1 46 46 GLU HB2 H 1 1.840 0.002 . 2 . 777 . A 46 GLU HB2 . 34018 1 332 . 1 1 46 46 GLU HB3 H 1 2.028 0.005 . 2 . 776 . A 46 GLU HB3 . 34018 1 333 . 1 1 46 46 GLU HG2 H 1 2.195 0.004 . 2 . 775 . A 46 GLU HG2 . 34018 1 334 . 1 1 46 46 GLU HG3 H 1 2.243 0.005 . 2 . 774 . A 46 GLU HG3 . 34018 1 335 . 1 1 46 46 GLU C C 13 180.282 . . 1 . 913 . A 46 GLU C . 34018 1 336 . 1 1 46 46 GLU CA C 13 60.003 0.096 . 1 . 157 . A 46 GLU CA . 34018 1 337 . 1 1 46 46 GLU CB C 13 29.345 0.043 . 1 . 155 . A 46 GLU CB . 34018 1 338 . 1 1 46 46 GLU CG C 13 36.508 0.019 . 1 . 773 . A 46 GLU CG . 34018 1 339 . 1 1 46 46 GLU N N 15 119.136 0.008 . 1 . 156 . A 46 GLU N . 34018 1 340 . 1 1 47 47 GLU H H 1 7.684 0.009 . 1 . 90 . A 47 GLU H . 34018 1 341 . 1 1 47 47 GLU HA H 1 3.498 0.002 . 1 . 445 . A 47 GLU HA . 34018 1 342 . 1 1 47 47 GLU HB2 H 1 2.277 0.006 . 2 . 779 . A 47 GLU HB2 . 34018 1 343 . 1 1 47 47 GLU HB3 H 1 1.633 0.008 . 2 . 778 . A 47 GLU HB3 . 34018 1 344 . 1 1 47 47 GLU HG2 H 1 1.823 0.005 . 2 . 781 . A 47 GLU HG2 . 34018 1 345 . 1 1 47 47 GLU HG3 H 1 2.006 0.005 . 2 . 780 . A 47 GLU HG3 . 34018 1 346 . 1 1 47 47 GLU C C 13 177.086 . . 1 . 922 . A 47 GLU C . 34018 1 347 . 1 1 47 47 GLU CA C 13 59.731 0.075 . 1 . 93 . A 47 GLU CA . 34018 1 348 . 1 1 47 47 GLU CB C 13 30.146 0.047 . 1 . 91 . A 47 GLU CB . 34018 1 349 . 1 1 47 47 GLU CG C 13 38.771 0.031 . 1 . 1015 . A 47 GLU CG . 34018 1 350 . 1 1 47 47 GLU N N 15 120.539 0.021 . 1 . 92 . A 47 GLU N . 34018 1 351 . 1 1 48 48 ARG H H 1 8.871 0.004 . 1 . 162 . A 48 ARG H . 34018 1 352 . 1 1 48 48 ARG HA H 1 3.519 0.006 . 1 . 846 . A 48 ARG HA . 34018 1 353 . 1 1 48 48 ARG HB2 H 1 1.663 0.006 . 2 . 849 . A 48 ARG HB2 . 34018 1 354 . 1 1 48 48 ARG HB3 H 1 1.797 0.006 . 2 . 848 . A 48 ARG HB3 . 34018 1 355 . 1 1 48 48 ARG HG3 H 1 1.456 0.007 . 1 . 851 . A 48 ARG HG3 . 34018 1 356 . 1 1 48 48 ARG HD2 H 1 3.007 0.007 . 2 . 854 . A 48 ARG HD2 . 34018 1 357 . 1 1 48 48 ARG HD3 H 1 3.448 0.003 . 2 . 853 . A 48 ARG HD3 . 34018 1 358 . 1 1 48 48 ARG C C 13 177.830 . . 1 . 920 . A 48 ARG C . 34018 1 359 . 1 1 48 48 ARG CA C 13 60.682 0.079 . 1 . 165 . A 48 ARG CA . 34018 1 360 . 1 1 48 48 ARG CB C 13 29.806 0.032 . 1 . 163 . A 48 ARG CB . 34018 1 361 . 1 1 48 48 ARG CG C 13 27.002 0.012 . 1 . 850 . A 48 ARG CG . 34018 1 362 . 1 1 48 48 ARG CD C 13 42.385 0.014 . 1 . 852 . A 48 ARG CD . 34018 1 363 . 1 1 48 48 ARG N N 15 119.848 0.02 . 1 . 164 . A 48 ARG N . 34018 1 364 . 1 1 49 49 ASN H H 1 8.683 0.004 . 1 . 189 . A 49 ASN H . 34018 1 365 . 1 1 49 49 ASN HA H 1 4.378 0.003 . 1 . 446 . A 49 ASN HA . 34018 1 366 . 1 1 49 49 ASN HB2 H 1 2.740 0.003 . 2 . 748 . A 49 ASN HB2 . 34018 1 367 . 1 1 49 49 ASN HB3 H 1 2.857 0.004 . 2 . 747 . A 49 ASN HB3 . 34018 1 368 . 1 1 49 49 ASN HD21 H 1 7.732 0.001 . 1 . 1036 . A 49 ASN HD21 . 34018 1 369 . 1 1 49 49 ASN HD22 H 1 6.916 0.001 . 1 . 1038 . A 49 ASN HD22 . 34018 1 370 . 1 1 49 49 ASN C C 13 177.242 . . 1 . 919 . A 49 ASN C . 34018 1 371 . 1 1 49 49 ASN CA C 13 56.155 0.09 . 1 . 190 . A 49 ASN CA . 34018 1 372 . 1 1 49 49 ASN CB C 13 37.967 0.025 . 1 . 192 . A 49 ASN CB . 34018 1 373 . 1 1 49 49 ASN N N 15 116.610 0.014 . 1 . 191 . A 49 ASN N . 34018 1 374 . 1 1 49 49 ASN ND2 N 15 112.463 0.027 . 1 . 1037 . A 49 ASN ND2 . 34018 1 375 . 1 1 50 50 ALA H H 1 7.235 0.007 . 1 . 63 . A 50 ALA H . 34018 1 376 . 1 1 50 50 ALA HA H 1 3.976 0.002 . 1 . 447 . A 50 ALA HA . 34018 1 377 . 1 1 50 50 ALA HB1 H 1 1.355 0.003 . 1 . 448 . A 50 ALA HB1 . 34018 1 378 . 1 1 50 50 ALA HB2 H 1 1.355 0.003 . 1 . 448 . A 50 ALA HB2 . 34018 1 379 . 1 1 50 50 ALA HB3 H 1 1.355 0.003 . 1 . 448 . A 50 ALA HB3 . 34018 1 380 . 1 1 50 50 ALA C C 13 180.243 . . 1 . 918 . A 50 ALA C . 34018 1 381 . 1 1 50 50 ALA CA C 13 55.186 0.08 . 1 . 65 . A 50 ALA CA . 34018 1 382 . 1 1 50 50 ALA CB C 13 17.735 0.009 . 1 . 66 . A 50 ALA CB . 34018 1 383 . 1 1 50 50 ALA N N 15 119.864 0.01 . 1 . 64 . A 50 ALA N . 34018 1 384 . 1 1 51 51 LEU H H 1 8.087 0.006 . 1 . 239 . A 51 LEU H . 34018 1 385 . 1 1 51 51 LEU HA H 1 3.854 0.004 . 1 . 449 . A 51 LEU HA . 34018 1 386 . 1 1 51 51 LEU HB2 H 1 1.811 0.006 . 2 . 668 . A 51 LEU HB2 . 34018 1 387 . 1 1 51 51 LEU HB3 H 1 1.369 0.005 . 2 . 667 . A 51 LEU HB3 . 34018 1 388 . 1 1 51 51 LEU HG H 1 1.857 0.007 . 1 . 670 . A 51 LEU HG . 34018 1 389 . 1 1 51 51 LEU HD11 H 1 0.738 0.004 . 2 . 672 . A 51 LEU HD11 . 34018 1 390 . 1 1 51 51 LEU HD12 H 1 0.738 0.004 . 2 . 672 . A 51 LEU HD12 . 34018 1 391 . 1 1 51 51 LEU HD13 H 1 0.738 0.004 . 2 . 672 . A 51 LEU HD13 . 34018 1 392 . 1 1 51 51 LEU HD21 H 1 0.671 0.003 . 2 . 674 . A 51 LEU HD21 . 34018 1 393 . 1 1 51 51 LEU HD22 H 1 0.671 0.003 . 2 . 674 . A 51 LEU HD22 . 34018 1 394 . 1 1 51 51 LEU HD23 H 1 0.671 0.003 . 2 . 674 . A 51 LEU HD23 . 34018 1 395 . 1 1 51 51 LEU C C 13 178.315 . . 1 . 914 . A 51 LEU C . 34018 1 396 . 1 1 51 51 LEU CA C 13 58.809 0.079 . 1 . 240 . A 51 LEU CA . 34018 1 397 . 1 1 51 51 LEU CB C 13 40.519 0.028 . 1 . 242 . A 51 LEU CB . 34018 1 398 . 1 1 51 51 LEU CG C 13 28.440 0.02 . 1 . 669 . A 51 LEU CG . 34018 1 399 . 1 1 51 51 LEU CD1 C 13 25.409 0.016 . 2 . 671 . A 51 LEU CD1 . 34018 1 400 . 1 1 51 51 LEU CD2 C 13 24.581 0.012 . 2 . 673 . A 51 LEU CD2 . 34018 1 401 . 1 1 51 51 LEU N N 15 119.299 0.022 . 1 . 241 . A 51 LEU N . 34018 1 402 . 1 1 52 52 ASN H H 1 8.861 0.005 . 1 . 170 . A 52 ASN H . 34018 1 403 . 1 1 52 52 ASN HA H 1 4.468 0.004 . 1 . 450 . A 52 ASN HA . 34018 1 404 . 1 1 52 52 ASN HB2 H 1 2.921 0.003 . 2 . 750 . A 52 ASN HB2 . 34018 1 405 . 1 1 52 52 ASN HB3 H 1 2.704 0.006 . 2 . 749 . A 52 ASN HB3 . 34018 1 406 . 1 1 52 52 ASN HD21 H 1 7.498 0.001 . 1 . 1024 . A 52 ASN HD21 . 34018 1 407 . 1 1 52 52 ASN HD22 H 1 6.742 0.001 . 1 . 1026 . A 52 ASN HD22 . 34018 1 408 . 1 1 52 52 ASN C C 13 178.540 . . 1 . 915 . A 52 ASN C . 34018 1 409 . 1 1 52 52 ASN CA C 13 56.200 0.093 . 1 . 173 . A 52 ASN CA . 34018 1 410 . 1 1 52 52 ASN CB C 13 38.436 0.04 . 1 . 171 . A 52 ASN CB . 34018 1 411 . 1 1 52 52 ASN N N 15 118.765 0.018 . 1 . 172 . A 52 ASN N . 34018 1 412 . 1 1 52 52 ASN ND2 N 15 110.412 0.019 . 1 . 1025 . A 52 ASN ND2 . 34018 1 413 . 1 1 53 53 ILE H H 1 7.973 0.005 . 1 . 269 . A 53 ILE H . 34018 1 414 . 1 1 53 53 ILE HA H 1 3.553 0.005 . 1 . 451 . A 53 ILE HA . 34018 1 415 . 1 1 53 53 ILE HB H 1 1.840 0.005 . 1 . 527 . A 53 ILE HB . 34018 1 416 . 1 1 53 53 ILE HG12 H 1 1.051 0.002 . 2 . 508 . A 53 ILE HG12 . 34018 1 417 . 1 1 53 53 ILE HG13 H 1 1.720 0.004 . 2 . 507 . A 53 ILE HG13 . 34018 1 418 . 1 1 53 53 ILE HG21 H 1 0.835 0.002 . 1 . 528 . A 53 ILE HG21 . 34018 1 419 . 1 1 53 53 ILE HG22 H 1 0.835 0.002 . 1 . 528 . A 53 ILE HG22 . 34018 1 420 . 1 1 53 53 ILE HG23 H 1 0.835 0.002 . 1 . 528 . A 53 ILE HG23 . 34018 1 421 . 1 1 53 53 ILE HD11 H 1 0.755 0.004 . 1 . 530 . A 53 ILE HD11 . 34018 1 422 . 1 1 53 53 ILE HD12 H 1 0.755 0.004 . 1 . 530 . A 53 ILE HD12 . 34018 1 423 . 1 1 53 53 ILE HD13 H 1 0.755 0.004 . 1 . 530 . A 53 ILE HD13 . 34018 1 424 . 1 1 53 53 ILE C C 13 178.689 . . 1 . 917 . A 53 ILE C . 34018 1 425 . 1 1 53 53 ILE CA C 13 65.355 0.082 . 1 . 270 . A 53 ILE CA . 34018 1 426 . 1 1 53 53 ILE CB C 13 37.996 0.014 . 1 . 367 . A 53 ILE CB . 34018 1 427 . 1 1 53 53 ILE CG1 C 13 30.099 0.02 . 1 . 526 . A 53 ILE CG1 . 34018 1 428 . 1 1 53 53 ILE CG2 C 13 16.835 0.012 . 1 . 529 . A 53 ILE CG2 . 34018 1 429 . 1 1 53 53 ILE CD1 C 13 13.321 0.014 . 1 . 531 . A 53 ILE CD1 . 34018 1 430 . 1 1 53 53 ILE N N 15 121.054 0.01 . 1 . 271 . A 53 ILE N . 34018 1 431 . 1 1 54 54 ALA H H 1 7.355 0.006 . 1 . 74 . A 54 ALA H . 34018 1 432 . 1 1 54 54 ALA HA H 1 4.152 0.002 . 1 . 452 . A 54 ALA HA . 34018 1 433 . 1 1 54 54 ALA HB1 H 1 1.402 0.004 . 1 . 453 . A 54 ALA HB1 . 34018 1 434 . 1 1 54 54 ALA HB2 H 1 1.402 0.004 . 1 . 453 . A 54 ALA HB2 . 34018 1 435 . 1 1 54 54 ALA HB3 H 1 1.402 0.004 . 1 . 453 . A 54 ALA HB3 . 34018 1 436 . 1 1 54 54 ALA C C 13 178.224 . . 1 . 927 . A 54 ALA C . 34018 1 437 . 1 1 54 54 ALA CA C 13 55.268 0.085 . 1 . 76 . A 54 ALA CA . 34018 1 438 . 1 1 54 54 ALA CB C 13 18.921 0.015 . 1 . 77 . A 54 ALA CB . 34018 1 439 . 1 1 54 54 ALA N N 15 122.564 0.009 . 1 . 75 . A 54 ALA N . 34018 1 440 . 1 1 55 55 GLU H H 1 8.438 0.006 . 1 . 209 . A 55 GLU H . 34018 1 441 . 1 1 55 55 GLU HA H 1 3.669 0.006 . 1 . 454 . A 55 GLU HA . 34018 1 442 . 1 1 55 55 GLU HB2 H 1 1.981 0.007 . 2 . 1016 . A 55 GLU HB2 . 34018 1 443 . 1 1 55 55 GLU HB3 H 1 2.123 0.006 . 2 . 782 . A 55 GLU HB3 . 34018 1 444 . 1 1 55 55 GLU HG2 H 1 2.079 0.012 . 2 . 785 . A 55 GLU HG2 . 34018 1 445 . 1 1 55 55 GLU HG3 H 1 2.122 0.005 . 2 . 784 . A 55 GLU HG3 . 34018 1 446 . 1 1 55 55 GLU C C 13 178.137 . . 1 . 929 . A 55 GLU C . 34018 1 447 . 1 1 55 55 GLU CA C 13 60.459 0.132 . 1 . 210 . A 55 GLU CA . 34018 1 448 . 1 1 55 55 GLU CB C 13 29.937 0.043 . 1 . 216 . A 55 GLU CB . 34018 1 449 . 1 1 55 55 GLU CG C 13 36.770 0.089 . 1 . 783 . A 55 GLU CG . 34018 1 450 . 1 1 55 55 GLU N N 15 118.531 0.015 . 1 . 211 . A 55 GLU N . 34018 1 451 . 1 1 56 56 LYS H H 1 8.057 0.006 . 1 . 201 . A 56 LYS H . 34018 1 452 . 1 1 56 56 LYS HA H 1 3.974 0.003 . 1 . 455 . A 56 LYS HA . 34018 1 453 . 1 1 56 56 LYS HB2 H 1 1.812 0.003 . 2 . 817 . A 56 LYS HB2 . 34018 1 454 . 1 1 56 56 LYS HB3 H 1 1.738 0.002 . 2 . 816 . A 56 LYS HB3 . 34018 1 455 . 1 1 56 56 LYS HG2 H 1 1.422 . . 2 . 811 . A 56 LYS HG2 . 34018 1 456 . 1 1 56 56 LYS HG3 H 1 1.502 . . 2 . 810 . A 56 LYS HG3 . 34018 1 457 . 1 1 56 56 LYS HD3 H 1 1.602 . . 1 . 813 . A 56 LYS HD3 . 34018 1 458 . 1 1 56 56 LYS HE3 H 1 2.885 . . 1 . 819 . A 56 LYS HE3 . 34018 1 459 . 1 1 56 56 LYS C C 13 178.864 . . 1 . 926 . A 56 LYS C . 34018 1 460 . 1 1 56 56 LYS CA C 13 58.898 0.085 . 1 . 202 . A 56 LYS CA . 34018 1 461 . 1 1 56 56 LYS CB C 13 31.958 0.027 . 1 . 204 . A 56 LYS CB . 34018 1 462 . 1 1 56 56 LYS CG C 13 24.947 . . 1 . 809 . A 56 LYS CG . 34018 1 463 . 1 1 56 56 LYS CD C 13 28.893 . . 1 . 812 . A 56 LYS CD . 34018 1 464 . 1 1 56 56 LYS CE C 13 42.105 . . 1 . 818 . A 56 LYS CE . 34018 1 465 . 1 1 56 56 LYS N N 15 117.867 0.026 . 1 . 203 . A 56 LYS N . 34018 1 466 . 1 1 57 57 ALA H H 1 7.999 0.007 . 1 . 259 . A 57 ALA H . 34018 1 467 . 1 1 57 57 ALA HA H 1 3.998 0.006 . 1 . 489 . A 57 ALA HA . 34018 1 468 . 1 1 57 57 ALA HB1 H 1 1.382 0.003 . 1 . 490 . A 57 ALA HB1 . 34018 1 469 . 1 1 57 57 ALA HB2 H 1 1.382 0.003 . 1 . 490 . A 57 ALA HB2 . 34018 1 470 . 1 1 57 57 ALA HB3 H 1 1.382 0.003 . 1 . 490 . A 57 ALA HB3 . 34018 1 471 . 1 1 57 57 ALA C C 13 180.475 . . 1 . 925 . A 57 ALA C . 34018 1 472 . 1 1 57 57 ALA CA C 13 55.380 0.087 . 1 . 260 . A 57 ALA CA . 34018 1 473 . 1 1 57 57 ALA CB C 13 19.457 0.016 . 1 . 368 . A 57 ALA CB . 34018 1 474 . 1 1 57 57 ALA N N 15 122.058 0.02 . 1 . 261 . A 57 ALA N . 34018 1 475 . 1 1 58 58 LEU H H 1 8.239 0.008 . 1 . 255 . A 58 LEU H . 34018 1 476 . 1 1 58 58 LEU HA H 1 3.966 0.005 . 1 . 456 . A 58 LEU HA . 34018 1 477 . 1 1 58 58 LEU HB2 H 1 1.963 0.005 . 2 . 661 . A 58 LEU HB2 . 34018 1 478 . 1 1 58 58 LEU HB3 H 1 1.395 0.009 . 2 . 660 . A 58 LEU HB3 . 34018 1 479 . 1 1 58 58 LEU HG H 1 1.797 0.004 . 1 . 663 . A 58 LEU HG . 34018 1 480 . 1 1 58 58 LEU HD11 H 1 0.827 0.003 . 2 . 664 . A 58 LEU HD11 . 34018 1 481 . 1 1 58 58 LEU HD12 H 1 0.827 0.003 . 2 . 664 . A 58 LEU HD12 . 34018 1 482 . 1 1 58 58 LEU HD13 H 1 0.827 0.003 . 2 . 664 . A 58 LEU HD13 . 34018 1 483 . 1 1 58 58 LEU HD21 H 1 0.734 0.002 . 2 . 666 . A 58 LEU HD21 . 34018 1 484 . 1 1 58 58 LEU HD22 H 1 0.734 0.002 . 2 . 666 . A 58 LEU HD22 . 34018 1 485 . 1 1 58 58 LEU HD23 H 1 0.734 0.002 . 2 . 666 . A 58 LEU HD23 . 34018 1 486 . 1 1 58 58 LEU C C 13 181.726 . . 1 . 923 . A 58 LEU C . 34018 1 487 . 1 1 58 58 LEU CA C 13 57.720 0.079 . 1 . 256 . A 58 LEU CA . 34018 1 488 . 1 1 58 58 LEU CB C 13 41.612 0.021 . 1 . 258 . A 58 LEU CB . 34018 1 489 . 1 1 58 58 LEU CG C 13 26.461 . . 1 . 662 . A 58 LEU CG . 34018 1 490 . 1 1 58 58 LEU CD2 C 13 26.343 0.033 . 1 . 665 . A 58 LEU CD2 . 34018 1 491 . 1 1 58 58 LEU N N 15 120.519 0.007 . 1 . 257 . A 58 LEU N . 34018 1 492 . 1 1 59 59 ASP H H 1 8.292 0.004 . 1 . 114 . A 59 ASP H . 34018 1 493 . 1 1 59 59 ASP HA H 1 4.404 0.003 . 1 . 457 . A 59 ASP HA . 34018 1 494 . 1 1 59 59 ASP HB2 H 1 2.782 0.005 . 2 . 739 . A 59 ASP HB2 . 34018 1 495 . 1 1 59 59 ASP HB3 H 1 2.639 0.004 . 2 . 738 . A 59 ASP HB3 . 34018 1 496 . 1 1 59 59 ASP C C 13 177.128 . . 1 . 924 . A 59 ASP C . 34018 1 497 . 1 1 59 59 ASP CA C 13 57.242 0.085 . 1 . 115 . A 59 ASP CA . 34018 1 498 . 1 1 59 59 ASP CB C 13 39.901 0.021 . 1 . 117 . A 59 ASP CB . 34018 1 499 . 1 1 59 59 ASP N N 15 122.229 0.021 . 1 . 116 . A 59 ASP N . 34018 1 500 . 1 1 60 60 ASN H H 1 7.760 0.007 . 1 . 217 . A 60 ASN H . 34018 1 501 . 1 1 60 60 ASN HA H 1 4.834 0.001 . 1 . 458 . A 60 ASN HA . 34018 1 502 . 1 1 60 60 ASN HB2 H 1 2.992 0.004 . 2 . 752 . A 60 ASN HB2 . 34018 1 503 . 1 1 60 60 ASN HB3 H 1 2.666 0.004 . 2 . 751 . A 60 ASN HB3 . 34018 1 504 . 1 1 60 60 ASN HD21 H 1 7.951 0.002 . 1 . 1039 . A 60 ASN HD21 . 34018 1 505 . 1 1 60 60 ASN HD22 H 1 6.788 0.002 . 1 . 1041 . A 60 ASN HD22 . 34018 1 506 . 1 1 60 60 ASN C C 13 174.098 . . 1 . 931 . A 60 ASN C . 34018 1 507 . 1 1 60 60 ASN CA C 13 52.759 0.088 . 1 . 218 . A 60 ASN CA . 34018 1 508 . 1 1 60 60 ASN CB C 13 39.292 0.014 . 1 . 220 . A 60 ASN CB . 34018 1 509 . 1 1 60 60 ASN N N 15 117.594 0.015 . 1 . 219 . A 60 ASN N . 34018 1 510 . 1 1 60 60 ASN ND2 N 15 113.596 0.018 . 1 . 1040 . A 60 ASN ND2 . 34018 1 511 . 1 1 61 61 SER H H 1 7.938 0.008 . 1 . 320 . A 61 SER H . 34018 1 512 . 1 1 61 61 SER HA H 1 4.110 0.004 . 1 . 459 . A 61 SER HA . 34018 1 513 . 1 1 61 61 SER HB2 H 1 4.071 0.004 . 2 . 736 . A 61 SER HB2 . 34018 1 514 . 1 1 61 61 SER HB3 H 1 3.930 0.003 . 2 . 460 . A 61 SER HB3 . 34018 1 515 . 1 1 61 61 SER C C 13 174.726 . . 1 . 932 . A 61 SER C . 34018 1 516 . 1 1 61 61 SER CA C 13 58.830 0.091 . 1 . 321 . A 61 SER CA . 34018 1 517 . 1 1 61 61 SER CB C 13 61.127 0.014 . 1 . 358 . A 61 SER CB . 34018 1 518 . 1 1 61 61 SER N N 15 112.414 0.025 . 1 . 322 . A 61 SER N . 34018 1 519 . 1 1 62 62 GLU H H 1 7.799 0.01 . 1 . 369 . A 62 GLU H . 34018 1 520 . 1 1 62 62 GLU HA H 1 4.127 0.004 . 1 . 461 . A 62 GLU HA . 34018 1 521 . 1 1 62 62 GLU HB2 H 1 2.015 0.003 . 2 . 787 . A 62 GLU HB2 . 34018 1 522 . 1 1 62 62 GLU HB3 H 1 1.622 0.001 . 2 . 786 . A 62 GLU HB3 . 34018 1 523 . 1 1 62 62 GLU HG2 H 1 2.386 0.006 . 2 . 789 . A 62 GLU HG2 . 34018 1 524 . 1 1 62 62 GLU HG3 H 1 2.200 0.003 . 2 . 788 . A 62 GLU HG3 . 34018 1 525 . 1 1 62 62 GLU C C 13 174.866 . . 1 . 930 . A 62 GLU C . 34018 1 526 . 1 1 62 62 GLU CA C 13 56.695 0.079 . 1 . 370 . A 62 GLU CA . 34018 1 527 . 1 1 62 62 GLU CB C 13 29.513 . . 1 . 372 . A 62 GLU CB . 34018 1 528 . 1 1 62 62 GLU N N 15 117.980 0.011 . 1 . 371 . A 62 GLU N . 34018 1 529 . 1 1 63 63 TYR H H 1 8.293 0.007 . 1 . 251 . A 63 TYR H . 34018 1 530 . 1 1 63 63 TYR HA H 1 4.513 0.003 . 1 . 579 . A 63 TYR HA . 34018 1 531 . 1 1 63 63 TYR HB2 H 1 2.832 0.009 . 2 . 581 . A 63 TYR HB2 . 34018 1 532 . 1 1 63 63 TYR HB3 H 1 3.131 0.007 . 2 . 580 . A 63 TYR HB3 . 34018 1 533 . 1 1 63 63 TYR HD1 H 1 7.160 0.004 . 1 . 712 . A 63 TYR HD1 . 34018 1 534 . 1 1 63 63 TYR HD2 H 1 7.160 0.004 . 1 . 712 . A 63 TYR HD2 . 34018 1 535 . 1 1 63 63 TYR HE1 H 1 6.821 0.002 . 1 . 710 . A 63 TYR HE1 . 34018 1 536 . 1 1 63 63 TYR HE2 H 1 6.821 0.002 . 1 . 710 . A 63 TYR HE2 . 34018 1 537 . 1 1 63 63 TYR CA C 13 57.818 0.085 . 1 . 252 . A 63 TYR CA . 34018 1 538 . 1 1 63 63 TYR CB C 13 38.820 0.033 . 1 . 254 . A 63 TYR CB . 34018 1 539 . 1 1 63 63 TYR CD1 C 13 133.087 0.048 . 1 . 709 . A 63 TYR CD1 . 34018 1 540 . 1 1 63 63 TYR CD2 C 13 133.087 0.048 . 1 . 709 . A 63 TYR CD2 . 34018 1 541 . 1 1 63 63 TYR CE1 C 13 118.736 0.023 . 1 . 711 . A 63 TYR CE1 . 34018 1 542 . 1 1 63 63 TYR CE2 C 13 118.736 0.023 . 1 . 711 . A 63 TYR CE2 . 34018 1 543 . 1 1 63 63 TYR N N 15 120.684 0.032 . 1 . 253 . A 63 TYR N . 34018 1 544 . 1 1 64 64 LEU H H 1 8.762 0.016 . 1 . 9 . A 64 LEU H . 34018 1 545 . 1 1 64 64 LEU HA H 1 3.972 0.004 . 1 . 652 . A 64 LEU HA . 34018 1 546 . 1 1 64 64 LEU HB2 H 1 1.534 0.004 . 2 . 654 . A 64 LEU HB2 . 34018 1 547 . 1 1 64 64 LEU HB3 H 1 1.729 0.003 . 2 . 653 . A 64 LEU HB3 . 34018 1 548 . 1 1 64 64 LEU HG H 1 1.484 0.004 . 1 . 658 . A 64 LEU HG . 34018 1 549 . 1 1 64 64 LEU HD11 H 1 0.958 0.004 . 2 . 655 . A 64 LEU HD11 . 34018 1 550 . 1 1 64 64 LEU HD12 H 1 0.958 0.004 . 2 . 655 . A 64 LEU HD12 . 34018 1 551 . 1 1 64 64 LEU HD13 H 1 0.958 0.004 . 2 . 655 . A 64 LEU HD13 . 34018 1 552 . 1 1 64 64 LEU HD21 H 1 0.962 0.008 . 2 . 656 . A 64 LEU HD21 . 34018 1 553 . 1 1 64 64 LEU HD22 H 1 0.962 0.008 . 2 . 656 . A 64 LEU HD22 . 34018 1 554 . 1 1 64 64 LEU HD23 H 1 0.962 0.008 . 2 . 656 . A 64 LEU HD23 . 34018 1 555 . 1 1 64 64 LEU CA C 13 59.856 0.085 . 1 . 11 . A 64 LEU CA . 34018 1 556 . 1 1 64 64 LEU CB C 13 39.351 0.012 . 1 . 373 . A 64 LEU CB . 34018 1 557 . 1 1 64 64 LEU CG C 13 27.385 . . 1 . 659 . A 64 LEU CG . 34018 1 558 . 1 1 64 64 LEU CD1 C 13 26.018 0.019 . 2 . 1005 . A 64 LEU CD1 . 34018 1 559 . 1 1 64 64 LEU CD2 C 13 23.929 0.016 . 2 . 657 . A 64 LEU CD2 . 34018 1 560 . 1 1 64 64 LEU N N 15 108.728 0.024 . 1 . 10 . A 64 LEU N . 34018 1 561 . 1 1 65 65 PRO HD2 H 1 2.810 . . 2 . 617 . A 65 PRO HD2 . 34018 1 562 . 1 1 65 65 PRO HD3 H 1 2.892 . . 2 . 615 . A 65 PRO HD3 . 34018 1 563 . 1 1 65 65 PRO C C 13 178.577 . . 1 . 934 . A 65 PRO C . 34018 1 564 . 1 1 65 65 PRO CA C 13 66.511 0.001 . 1 . 376 . A 65 PRO CA . 34018 1 565 . 1 1 65 65 PRO CB C 13 30.949 . . 1 . 375 . A 65 PRO CB . 34018 1 566 . 1 1 65 65 PRO CD C 13 51.264 0.026 . 1 . 616 . A 65 PRO CD . 34018 1 567 . 1 1 66 66 LYS H H 1 6.806 0.03 . 1 . 40 . A 66 LYS H . 34018 1 568 . 1 1 66 66 LYS HA H 1 4.013 0.005 . 1 . 462 . A 66 LYS HA . 34018 1 569 . 1 1 66 66 LYS HB2 H 1 2.014 0.002 . 2 . 821 . A 66 LYS HB2 . 34018 1 570 . 1 1 66 66 LYS HB3 H 1 2.197 0.002 . 2 . 820 . A 66 LYS HB3 . 34018 1 571 . 1 1 66 66 LYS HG3 H 1 1.346 0.011 . 1 . 826 . A 66 LYS HG3 . 34018 1 572 . 1 1 66 66 LYS HD2 H 1 1.630 . . 2 . 828 . A 66 LYS HD2 . 34018 1 573 . 1 1 66 66 LYS HD3 H 1 1.765 . . 2 . 827 . A 66 LYS HD3 . 34018 1 574 . 1 1 66 66 LYS HE3 H 1 2.923 . . 1 . 825 . A 66 LYS HE3 . 34018 1 575 . 1 1 66 66 LYS C C 13 177.423 . . 1 . 933 . A 66 LYS C . 34018 1 576 . 1 1 66 66 LYS CA C 13 59.011 0.085 . 1 . 41 . A 66 LYS CA . 34018 1 577 . 1 1 66 66 LYS CB C 13 32.510 0.005 . 1 . 43 . A 66 LYS CB . 34018 1 578 . 1 1 66 66 LYS CG C 13 25.048 . . 1 . 822 . A 66 LYS CG . 34018 1 579 . 1 1 66 66 LYS CD C 13 29.344 . . 1 . 823 . A 66 LYS CD . 34018 1 580 . 1 1 66 66 LYS CE C 13 41.986 . . 1 . 824 . A 66 LYS CE . 34018 1 581 . 1 1 66 66 LYS N N 15 116.430 0.133 . 1 . 42 . A 66 LYS N . 34018 1 582 . 1 1 67 67 ILE H H 1 7.576 0.016 . 1 . 86 . A 67 ILE H . 34018 1 583 . 1 1 67 67 ILE HA H 1 3.540 0.002 . 1 . 463 . A 67 ILE HA . 34018 1 584 . 1 1 67 67 ILE HB H 1 2.055 0.004 . 1 . 499 . A 67 ILE HB . 34018 1 585 . 1 1 67 67 ILE HG13 H 1 1.692 0.004 . 1 . 501 . A 67 ILE HG13 . 34018 1 586 . 1 1 67 67 ILE HG21 H 1 0.811 0.004 . 1 . 505 . A 67 ILE HG21 . 34018 1 587 . 1 1 67 67 ILE HG22 H 1 0.811 0.004 . 1 . 505 . A 67 ILE HG22 . 34018 1 588 . 1 1 67 67 ILE HG23 H 1 0.811 0.004 . 1 . 505 . A 67 ILE HG23 . 34018 1 589 . 1 1 67 67 ILE HD11 H 1 0.618 0.004 . 1 . 502 . A 67 ILE HD11 . 34018 1 590 . 1 1 67 67 ILE HD12 H 1 0.618 0.004 . 1 . 502 . A 67 ILE HD12 . 34018 1 591 . 1 1 67 67 ILE HD13 H 1 0.618 0.004 . 1 . 502 . A 67 ILE HD13 . 34018 1 592 . 1 1 67 67 ILE C C 13 180.053 . . 1 . 935 . A 67 ILE C . 34018 1 593 . 1 1 67 67 ILE CA C 13 65.431 0.082 . 1 . 89 . A 67 ILE CA . 34018 1 594 . 1 1 67 67 ILE CB C 13 38.205 0.006 . 1 . 87 . A 67 ILE CB . 34018 1 595 . 1 1 67 67 ILE CG1 C 13 27.251 0.013 . 1 . 500 . A 67 ILE CG1 . 34018 1 596 . 1 1 67 67 ILE CG2 C 13 15.726 0.017 . 1 . 506 . A 67 ILE CG2 . 34018 1 597 . 1 1 67 67 ILE CD1 C 13 13.874 0.017 . 1 . 503 . A 67 ILE CD1 . 34018 1 598 . 1 1 67 67 ILE N N 15 120.837 0.076 . 1 . 88 . A 67 ILE N . 34018 1 599 . 1 1 68 68 ILE H H 1 8.006 0.008 . 1 . 205 . A 68 ILE H . 34018 1 600 . 1 1 68 68 ILE HA H 1 3.509 0.002 . 1 . 464 . A 68 ILE HA . 34018 1 601 . 1 1 68 68 ILE HB H 1 1.817 0.004 . 1 . 509 . A 68 ILE HB . 34018 1 602 . 1 1 68 68 ILE HG12 H 1 1.159 0.004 . 2 . 512 . A 68 ILE HG12 . 34018 1 603 . 1 1 68 68 ILE HG13 H 1 1.493 0.004 . 2 . 510 . A 68 ILE HG13 . 34018 1 604 . 1 1 68 68 ILE HG21 H 1 0.860 0.004 . 1 . 513 . A 68 ILE HG21 . 34018 1 605 . 1 1 68 68 ILE HG22 H 1 0.860 0.004 . 1 . 513 . A 68 ILE HG22 . 34018 1 606 . 1 1 68 68 ILE HG23 H 1 0.860 0.004 . 1 . 513 . A 68 ILE HG23 . 34018 1 607 . 1 1 68 68 ILE HD11 H 1 0.656 0.004 . 1 . 515 . A 68 ILE HD11 . 34018 1 608 . 1 1 68 68 ILE HD12 H 1 0.656 0.004 . 1 . 515 . A 68 ILE HD12 . 34018 1 609 . 1 1 68 68 ILE HD13 H 1 0.656 0.004 . 1 . 515 . A 68 ILE HD13 . 34018 1 610 . 1 1 68 68 ILE C C 13 177.185 . . 1 . 891 . A 68 ILE C . 34018 1 611 . 1 1 68 68 ILE CA C 13 64.268 0.071 . 1 . 208 . A 68 ILE CA . 34018 1 612 . 1 1 68 68 ILE CB C 13 37.107 0.031 . 1 . 206 . A 68 ILE CB . 34018 1 613 . 1 1 68 68 ILE CG1 C 13 28.264 0.02 . 1 . 511 . A 68 ILE CG1 . 34018 1 614 . 1 1 68 68 ILE CG2 C 13 17.786 0.017 . 1 . 514 . A 68 ILE CG2 . 34018 1 615 . 1 1 68 68 ILE CD1 C 13 12.940 0.025 . 1 . 516 . A 68 ILE CD1 . 34018 1 616 . 1 1 68 68 ILE N N 15 118.143 0.02 . 1 . 207 . A 68 ILE N . 34018 1 617 . 1 1 69 69 LEU H H 1 8.025 0.023 . 1 . 276 . A 69 LEU H . 34018 1 618 . 1 1 69 69 LEU HA H 1 3.916 0.004 . 1 . 465 . A 69 LEU HA . 34018 1 619 . 1 1 69 69 LEU HB2 H 1 1.701 0.004 . 2 . 645 . A 69 LEU HB2 . 34018 1 620 . 1 1 69 69 LEU HB3 H 1 1.736 0.004 . 2 . 644 . A 69 LEU HB3 . 34018 1 621 . 1 1 69 69 LEU HG H 1 1.557 0.003 . 1 . 647 . A 69 LEU HG . 34018 1 622 . 1 1 69 69 LEU HD11 H 1 0.839 0.007 . 2 . 649 . A 69 LEU HD11 . 34018 1 623 . 1 1 69 69 LEU HD12 H 1 0.839 0.007 . 2 . 649 . A 69 LEU HD12 . 34018 1 624 . 1 1 69 69 LEU HD13 H 1 0.839 0.007 . 2 . 649 . A 69 LEU HD13 . 34018 1 625 . 1 1 69 69 LEU HD21 H 1 0.843 0.006 . 2 . 650 . A 69 LEU HD21 . 34018 1 626 . 1 1 69 69 LEU HD22 H 1 0.843 0.006 . 2 . 650 . A 69 LEU HD22 . 34018 1 627 . 1 1 69 69 LEU HD23 H 1 0.843 0.006 . 2 . 650 . A 69 LEU HD23 . 34018 1 628 . 1 1 69 69 LEU C C 13 179.256 . . 1 . 936 . A 69 LEU C . 34018 1 629 . 1 1 69 69 LEU CA C 13 58.688 0.089 . 1 . 277 . A 69 LEU CA . 34018 1 630 . 1 1 69 69 LEU CB C 13 41.708 0.016 . 1 . 374 . A 69 LEU CB . 34018 1 631 . 1 1 69 69 LEU CG C 13 27.033 0.043 . 1 . 646 . A 69 LEU CG . 34018 1 632 . 1 1 69 69 LEU CD1 C 13 24.939 0.036 . 2 . 648 . A 69 LEU CD1 . 34018 1 633 . 1 1 69 69 LEU CD2 C 13 24.172 0.017 . 2 . 651 . A 69 LEU CD2 . 34018 1 634 . 1 1 69 69 LEU N N 15 121.443 0.005 . 1 . 278 . A 69 LEU N . 34018 1 635 . 1 1 70 70 ASN H H 1 8.380 0.004 . 1 . 197 . A 70 ASN H . 34018 1 636 . 1 1 70 70 ASN HA H 1 4.438 0.001 . 1 . 466 . A 70 ASN HA . 34018 1 637 . 1 1 70 70 ASN HB2 H 1 2.969 0.004 . 2 . 754 . A 70 ASN HB2 . 34018 1 638 . 1 1 70 70 ASN HB3 H 1 2.585 0.005 . 2 . 753 . A 70 ASN HB3 . 34018 1 639 . 1 1 70 70 ASN HD21 H 1 6.795 0.003 . 1 . 1042 . A 70 ASN HD21 . 34018 1 640 . 1 1 70 70 ASN HD22 H 1 7.903 0.002 . 1 . 1044 . A 70 ASN HD22 . 34018 1 641 . 1 1 70 70 ASN C C 13 178.685 . . 1 . 937 . A 70 ASN C . 34018 1 642 . 1 1 70 70 ASN CA C 13 55.970 0.085 . 1 . 200 . A 70 ASN CA . 34018 1 643 . 1 1 70 70 ASN CB C 13 37.273 0.018 . 1 . 198 . A 70 ASN CB . 34018 1 644 . 1 1 70 70 ASN N N 15 117.530 0.011 . 1 . 199 . A 70 ASN N . 34018 1 645 . 1 1 70 70 ASN ND2 N 15 111.705 0.015 . 1 . 1043 . A 70 ASN ND2 . 34018 1 646 . 1 1 71 71 LEU H H 1 7.987 0.007 . 1 . 106 . A 71 LEU H . 34018 1 647 . 1 1 71 71 LEU HA H 1 4.332 0.004 . 1 . 467 . A 71 LEU HA . 34018 1 648 . 1 1 71 71 LEU HB2 H 1 1.665 0.003 . 2 . 639 . A 71 LEU HB2 . 34018 1 649 . 1 1 71 71 LEU HB3 H 1 1.752 0.007 . 2 . 638 . A 71 LEU HB3 . 34018 1 650 . 1 1 71 71 LEU HD11 H 1 0.837 0.006 . 2 . 640 . A 71 LEU HD11 . 34018 1 651 . 1 1 71 71 LEU HD12 H 1 0.837 0.006 . 2 . 640 . A 71 LEU HD12 . 34018 1 652 . 1 1 71 71 LEU HD13 H 1 0.837 0.006 . 2 . 640 . A 71 LEU HD13 . 34018 1 653 . 1 1 71 71 LEU HD21 H 1 0.788 0.005 . 2 . 641 . A 71 LEU HD21 . 34018 1 654 . 1 1 71 71 LEU HD22 H 1 0.788 0.005 . 2 . 641 . A 71 LEU HD22 . 34018 1 655 . 1 1 71 71 LEU HD23 H 1 0.788 0.005 . 2 . 641 . A 71 LEU HD23 . 34018 1 656 . 1 1 71 71 LEU C C 13 178.508 . . 1 . 921 . A 71 LEU C . 34018 1 657 . 1 1 71 71 LEU CA C 13 57.902 0.096 . 1 . 107 . A 71 LEU CA . 34018 1 658 . 1 1 71 71 LEU CB C 13 42.589 0.02 . 1 . 109 . A 71 LEU CB . 34018 1 659 . 1 1 71 71 LEU CD1 C 13 24.143 0.007 . 2 . 642 . A 71 LEU CD1 . 34018 1 660 . 1 1 71 71 LEU CD2 C 13 25.550 0.009 . 2 . 643 . A 71 LEU CD2 . 34018 1 661 . 1 1 71 71 LEU N N 15 123.695 0.014 . 1 . 108 . A 71 LEU N . 34018 1 662 . 1 1 72 72 ARG H H 1 8.861 0.007 . 1 . 166 . A 72 ARG H . 34018 1 663 . 1 1 72 72 ARG HA H 1 3.733 0.002 . 1 . 468 . A 72 ARG HA . 34018 1 664 . 1 1 72 72 ARG HB2 H 1 1.844 0.004 . 2 . 865 . A 72 ARG HB2 . 34018 1 665 . 1 1 72 72 ARG HB3 H 1 2.001 0.006 . 2 . 864 . A 72 ARG HB3 . 34018 1 666 . 1 1 72 72 ARG HG2 H 1 1.527 0.003 . 2 . 870 . A 72 ARG HG2 . 34018 1 667 . 1 1 72 72 ARG HG3 H 1 1.329 0.005 . 2 . 869 . A 72 ARG HG3 . 34018 1 668 . 1 1 72 72 ARG HD2 H 1 3.011 . . 2 . 871 . A 72 ARG HD2 . 34018 1 669 . 1 1 72 72 ARG HD3 H 1 3.030 0.003 . 2 . 867 . A 72 ARG HD3 . 34018 1 670 . 1 1 72 72 ARG C C 13 179.769 . . 1 . 938 . A 72 ARG C . 34018 1 671 . 1 1 72 72 ARG CA C 13 60.854 0.081 . 1 . 167 . A 72 ARG CA . 34018 1 672 . 1 1 72 72 ARG CB C 13 30.461 0.051 . 1 . 169 . A 72 ARG CB . 34018 1 673 . 1 1 72 72 ARG CG C 13 27.920 0.04 . 1 . 868 . A 72 ARG CG . 34018 1 674 . 1 1 72 72 ARG CD C 13 44.087 0.014 . 1 . 866 . A 72 ARG CD . 34018 1 675 . 1 1 72 72 ARG N N 15 119.583 0.025 . 1 . 168 . A 72 ARG N . 34018 1 676 . 1 1 73 73 LYS H H 1 8.728 0.013 . 1 . 142 . A 73 LYS H . 34018 1 677 . 1 1 73 73 LYS HA H 1 3.994 0.004 . 1 . 469 . A 73 LYS HA . 34018 1 678 . 1 1 73 73 LYS HB2 H 1 1.865 0.005 . 2 . 830 . A 73 LYS HB2 . 34018 1 679 . 1 1 73 73 LYS HB3 H 1 1.922 0.002 . 2 . 829 . A 73 LYS HB3 . 34018 1 680 . 1 1 73 73 LYS HG2 H 1 1.369 . . 2 . 833 . A 73 LYS HG2 . 34018 1 681 . 1 1 73 73 LYS HG3 H 1 1.593 . . 2 . 832 . A 73 LYS HG3 . 34018 1 682 . 1 1 73 73 LYS HD3 H 1 1.622 0.005 . 1 . 835 . A 73 LYS HD3 . 34018 1 683 . 1 1 73 73 LYS HE3 H 1 2.888 . . 1 . 837 . A 73 LYS HE3 . 34018 1 684 . 1 1 73 73 LYS C C 13 178.209 . . 1 . 905 . A 73 LYS C . 34018 1 685 . 1 1 73 73 LYS CA C 13 59.731 0.092 . 1 . 144 . A 73 LYS CA . 34018 1 686 . 1 1 73 73 LYS CB C 13 32.483 0.005 . 1 . 145 . A 73 LYS CB . 34018 1 687 . 1 1 73 73 LYS CG C 13 25.344 . . 1 . 831 . A 73 LYS CG . 34018 1 688 . 1 1 73 73 LYS CD C 13 29.335 . . 1 . 834 . A 73 LYS CD . 34018 1 689 . 1 1 73 73 LYS CE C 13 41.943 . . 1 . 836 . A 73 LYS CE . 34018 1 690 . 1 1 73 73 LYS N N 15 121.165 0.012 . 1 . 143 . A 73 LYS N . 34018 1 691 . 1 1 74 74 ALA H H 1 7.444 0.009 . 1 . 67 . A 74 ALA H . 34018 1 692 . 1 1 74 74 ALA HA H 1 4.203 0.002 . 1 . 470 . A 74 ALA HA . 34018 1 693 . 1 1 74 74 ALA HB1 H 1 1.459 0.002 . 1 . 471 . A 74 ALA HB1 . 34018 1 694 . 1 1 74 74 ALA HB2 H 1 1.459 0.002 . 1 . 471 . A 74 ALA HB2 . 34018 1 695 . 1 1 74 74 ALA HB3 H 1 1.459 0.002 . 1 . 471 . A 74 ALA HB3 . 34018 1 696 . 1 1 74 74 ALA C C 13 179.271 . . 1 . 940 . A 74 ALA C . 34018 1 697 . 1 1 74 74 ALA CA C 13 54.151 0.09 . 1 . 70 . A 74 ALA CA . 34018 1 698 . 1 1 74 74 ALA CB C 13 19.527 0.015 . 1 . 69 . A 74 ALA CB . 34018 1 699 . 1 1 74 74 ALA N N 15 118.386 0.03 . 1 . 68 . A 74 ALA N . 34018 1 700 . 1 1 75 75 LEU H H 1 7.962 0.007 . 1 . 327 . A 75 LEU H . 34018 1 701 . 1 1 75 75 LEU HA H 1 4.355 0.004 . 1 . 472 . A 75 LEU HA . 34018 1 702 . 1 1 75 75 LEU HB2 H 1 1.856 0.002 . 2 . 631 . A 75 LEU HB2 . 34018 1 703 . 1 1 75 75 LEU HB3 H 1 1.470 0.008 . 2 . 630 . A 75 LEU HB3 . 34018 1 704 . 1 1 75 75 LEU HG H 1 2.043 0.004 . 1 . 633 . A 75 LEU HG . 34018 1 705 . 1 1 75 75 LEU HD11 H 1 0.833 0.004 . 2 . 635 . A 75 LEU HD11 . 34018 1 706 . 1 1 75 75 LEU HD12 H 1 0.833 0.004 . 2 . 635 . A 75 LEU HD12 . 34018 1 707 . 1 1 75 75 LEU HD13 H 1 0.833 0.004 . 2 . 635 . A 75 LEU HD13 . 34018 1 708 . 1 1 75 75 LEU HD21 H 1 0.674 0.004 . 2 . 636 . A 75 LEU HD21 . 34018 1 709 . 1 1 75 75 LEU HD22 H 1 0.674 0.004 . 2 . 636 . A 75 LEU HD22 . 34018 1 710 . 1 1 75 75 LEU HD23 H 1 0.674 0.004 . 2 . 636 . A 75 LEU HD23 . 34018 1 711 . 1 1 75 75 LEU C C 13 178.376 . . 1 . 939 . A 75 LEU C . 34018 1 712 . 1 1 75 75 LEU CA C 13 56.008 0.08 . 1 . 328 . A 75 LEU CA . 34018 1 713 . 1 1 75 75 LEU CB C 13 42.966 0.029 . 1 . 330 . A 75 LEU CB . 34018 1 714 . 1 1 75 75 LEU CG C 13 26.766 . . 1 . 632 . A 75 LEU CG . 34018 1 715 . 1 1 75 75 LEU CD1 C 13 25.472 0.042 . 2 . 634 . A 75 LEU CD1 . 34018 1 716 . 1 1 75 75 LEU CD2 C 13 20.941 0.028 . 2 . 637 . A 75 LEU CD2 . 34018 1 717 . 1 1 75 75 LEU N N 15 111.926 0.018 . 1 . 329 . A 75 LEU N . 34018 1 718 . 1 1 76 76 THR H H 1 8.663 0.004 . 1 . 185 . A 76 THR H . 34018 1 719 . 1 1 76 76 THR HA H 1 4.178 0.003 . 1 . 598 . A 76 THR HA . 34018 1 720 . 1 1 76 76 THR HB H 1 4.451 0.002 . 1 . 597 . A 76 THR HB . 34018 1 721 . 1 1 76 76 THR HG21 H 1 1.270 0.003 . 1 . 595 . A 76 THR HG21 . 34018 1 722 . 1 1 76 76 THR HG22 H 1 1.270 0.003 . 1 . 595 . A 76 THR HG22 . 34018 1 723 . 1 1 76 76 THR HG23 H 1 1.270 0.003 . 1 . 595 . A 76 THR HG23 . 34018 1 724 . 1 1 76 76 THR CA C 13 69.085 0.029 . 1 . 187 . A 76 THR CA . 34018 1 725 . 1 1 76 76 THR CB C 13 67.507 0.051 . 1 . 188 . A 76 THR CB . 34018 1 726 . 1 1 76 76 THR CG2 C 13 21.725 0.023 . 1 . 596 . A 76 THR CG2 . 34018 1 727 . 1 1 76 76 THR N N 15 117.757 0.011 . 1 . 186 . A 76 THR N . 34018 1 728 . 1 1 77 77 PRO HA H 1 4.099 0.004 . 1 . 606 . A 77 PRO HA . 34018 1 729 . 1 1 77 77 PRO HB2 H 1 1.647 0.007 . 2 . 611 . A 77 PRO HB2 . 34018 1 730 . 1 1 77 77 PRO HB3 H 1 2.253 0.003 . 2 . 610 . A 77 PRO HB3 . 34018 1 731 . 1 1 77 77 PRO HG2 H 1 2.013 0.006 . 2 . 614 . A 77 PRO HG2 . 34018 1 732 . 1 1 77 77 PRO HG3 H 1 1.905 0.007 . 2 . 612 . A 77 PRO HG3 . 34018 1 733 . 1 1 77 77 PRO HD2 H 1 3.501 0.005 . 2 . 609 . A 77 PRO HD2 . 34018 1 734 . 1 1 77 77 PRO HD3 H 1 3.557 0.006 . 2 . 607 . A 77 PRO HD3 . 34018 1 735 . 1 1 77 77 PRO C C 13 178.437 . . 1 . 941 . A 77 PRO C . 34018 1 736 . 1 1 77 77 PRO CA C 13 66.140 0.071 . 1 . 378 . A 77 PRO CA . 34018 1 737 . 1 1 77 77 PRO CB C 13 31.045 0.008 . 1 . 377 . A 77 PRO CB . 34018 1 738 . 1 1 77 77 PRO CG C 13 28.484 . . 1 . 613 . A 77 PRO CG . 34018 1 739 . 1 1 77 77 PRO CD C 13 50.504 0.017 . 1 . 608 . A 77 PRO CD . 34018 1 740 . 1 1 78 78 LEU H H 1 6.486 0.014 . 1 . 36 . A 78 LEU H . 34018 1 741 . 1 1 78 78 LEU HA H 1 4.097 0.004 . 1 . 473 . A 78 LEU HA . 34018 1 742 . 1 1 78 78 LEU HB2 H 1 1.768 0.005 . 2 . 623 . A 78 LEU HB2 . 34018 1 743 . 1 1 78 78 LEU HB3 H 1 1.136 0.006 . 2 . 622 . A 78 LEU HB3 . 34018 1 744 . 1 1 78 78 LEU HG H 1 1.618 0.005 . 1 . 625 . A 78 LEU HG . 34018 1 745 . 1 1 78 78 LEU HD11 H 1 0.824 0.004 . 2 . 626 . A 78 LEU HD11 . 34018 1 746 . 1 1 78 78 LEU HD12 H 1 0.824 0.004 . 2 . 626 . A 78 LEU HD12 . 34018 1 747 . 1 1 78 78 LEU HD13 H 1 0.824 0.004 . 2 . 626 . A 78 LEU HD13 . 34018 1 748 . 1 1 78 78 LEU HD21 H 1 0.670 0.004 . 2 . 628 . A 78 LEU HD21 . 34018 1 749 . 1 1 78 78 LEU HD22 H 1 0.670 0.004 . 2 . 628 . A 78 LEU HD22 . 34018 1 750 . 1 1 78 78 LEU HD23 H 1 0.670 0.004 . 2 . 628 . A 78 LEU HD23 . 34018 1 751 . 1 1 78 78 LEU C C 13 179.012 . . 1 . 942 . A 78 LEU C . 34018 1 752 . 1 1 78 78 LEU CA C 13 56.021 0.088 . 1 . 39 . A 78 LEU CA . 34018 1 753 . 1 1 78 78 LEU CB C 13 40.132 0.041 . 1 . 38 . A 78 LEU CB . 34018 1 754 . 1 1 78 78 LEU CG C 13 27.571 0.028 . 1 . 624 . A 78 LEU CG . 34018 1 755 . 1 1 78 78 LEU CD1 C 13 25.919 0.052 . 2 . 627 . A 78 LEU CD1 . 34018 1 756 . 1 1 78 78 LEU CD2 C 13 22.682 0.018 . 2 . 629 . A 78 LEU CD2 . 34018 1 757 . 1 1 78 78 LEU N N 15 114.065 0.007 . 1 . 37 . A 78 LEU N . 34018 1 758 . 1 1 79 79 ALA H H 1 7.875 0.007 . 1 . 102 . A 79 ALA H . 34018 1 759 . 1 1 79 79 ALA HA H 1 3.749 0.001 . 1 . 474 . A 79 ALA HA . 34018 1 760 . 1 1 79 79 ALA HB1 H 1 0.807 0.002 . 1 . 475 . A 79 ALA HB1 . 34018 1 761 . 1 1 79 79 ALA HB2 H 1 0.807 0.002 . 1 . 475 . A 79 ALA HB2 . 34018 1 762 . 1 1 79 79 ALA HB3 H 1 0.807 0.002 . 1 . 475 . A 79 ALA HB3 . 34018 1 763 . 1 1 79 79 ALA C C 13 182.109 . . 1 . 928 . A 79 ALA C . 34018 1 764 . 1 1 79 79 ALA CA C 13 54.830 0.082 . 1 . 103 . A 79 ALA CA . 34018 1 765 . 1 1 79 79 ALA CB C 13 17.141 0.053 . 1 . 105 . A 79 ALA CB . 34018 1 766 . 1 1 79 79 ALA N N 15 124.132 0.007 . 1 . 104 . A 79 ALA N . 34018 1 767 . 1 1 80 80 ILE H H 1 8.428 0.004 . 1 . 212 . A 80 ILE H . 34018 1 768 . 1 1 80 80 ILE HA H 1 3.680 0.002 . 1 . 544 . A 80 ILE HA . 34018 1 769 . 1 1 80 80 ILE HB H 1 1.751 0.003 . 1 . 545 . A 80 ILE HB . 34018 1 770 . 1 1 80 80 ILE HG12 H 1 1.180 0.003 . 2 . 548 . A 80 ILE HG12 . 34018 1 771 . 1 1 80 80 ILE HG13 H 1 1.565 0.003 . 2 . 546 . A 80 ILE HG13 . 34018 1 772 . 1 1 80 80 ILE HG21 H 1 0.814 0.003 . 1 . 549 . A 80 ILE HG21 . 34018 1 773 . 1 1 80 80 ILE HG22 H 1 0.814 0.003 . 1 . 549 . A 80 ILE HG22 . 34018 1 774 . 1 1 80 80 ILE HG23 H 1 0.814 0.003 . 1 . 549 . A 80 ILE HG23 . 34018 1 775 . 1 1 80 80 ILE HD11 H 1 0.730 0.003 . 1 . 551 . A 80 ILE HD11 . 34018 1 776 . 1 1 80 80 ILE HD12 H 1 0.730 0.003 . 1 . 551 . A 80 ILE HD12 . 34018 1 777 . 1 1 80 80 ILE HD13 H 1 0.730 0.003 . 1 . 551 . A 80 ILE HD13 . 34018 1 778 . 1 1 80 80 ILE C C 13 177.707 . . 1 . 943 . A 80 ILE C . 34018 1 779 . 1 1 80 80 ILE CA C 13 64.334 0.077 . 1 . 213 . A 80 ILE CA . 34018 1 780 . 1 1 80 80 ILE CB C 13 37.651 0.013 . 1 . 215 . A 80 ILE CB . 34018 1 781 . 1 1 80 80 ILE CG1 C 13 28.410 0.023 . 1 . 547 . A 80 ILE CG1 . 34018 1 782 . 1 1 80 80 ILE CG2 C 13 16.921 0.022 . 1 . 550 . A 80 ILE CG2 . 34018 1 783 . 1 1 80 80 ILE CD1 C 13 12.963 0.014 . 1 . 552 . A 80 ILE CD1 . 34018 1 784 . 1 1 80 80 ILE N N 15 118.695 0.016 . 1 . 214 . A 80 ILE N . 34018 1 785 . 1 1 81 81 ASN H H 1 7.579 0.005 . 1 . 55 . A 81 ASN H . 34018 1 786 . 1 1 81 81 ASN HA H 1 4.615 0.006 . 1 . 476 . A 81 ASN HA . 34018 1 787 . 1 1 81 81 ASN HB2 H 1 2.748 0.002 . 2 . 478 . A 81 ASN HB2 . 34018 1 788 . 1 1 81 81 ASN HB3 H 1 2.946 0.005 . 2 . 477 . A 81 ASN HB3 . 34018 1 789 . 1 1 81 81 ASN HD21 H 1 7.365 0.001 . 1 . 1045 . A 81 ASN HD21 . 34018 1 790 . 1 1 81 81 ASN HD22 H 1 6.620 0.001 . 1 . 1047 . A 81 ASN HD22 . 34018 1 791 . 1 1 81 81 ASN C C 13 174.109 . . 1 . 945 . A 81 ASN C . 34018 1 792 . 1 1 81 81 ASN CA C 13 52.964 0.0 . 1 . 56 . A 81 ASN CA . 34018 1 793 . 1 1 81 81 ASN CB C 13 37.985 0.019 . 1 . 58 . A 81 ASN CB . 34018 1 794 . 1 1 81 81 ASN N N 15 115.966 0.017 . 1 . 57 . A 81 ASN N . 34018 1 795 . 1 1 81 81 ASN ND2 N 15 110.485 0.021 . 1 . 1046 . A 81 ASN ND2 . 34018 1 796 . 1 1 82 82 ARG H H 1 7.499 0.008 . 1 . 323 . A 82 ARG H . 34018 1 797 . 1 1 82 82 ARG HA H 1 3.881 0.003 . 1 . 479 . A 82 ARG HA . 34018 1 798 . 1 1 82 82 ARG HB2 H 1 2.072 0.004 . 2 . 873 . A 82 ARG HB2 . 34018 1 799 . 1 1 82 82 ARG HB3 H 1 2.001 0.003 . 2 . 872 . A 82 ARG HB3 . 34018 1 800 . 1 1 82 82 ARG HG2 H 1 1.540 0.002 . 2 . 877 . A 82 ARG HG2 . 34018 1 801 . 1 1 82 82 ARG HG3 H 1 1.510 0.009 . 2 . 876 . A 82 ARG HG3 . 34018 1 802 . 1 1 82 82 ARG HD2 H 1 3.155 . . 2 . 1004 . A 82 ARG HD2 . 34018 1 803 . 1 1 82 82 ARG HD3 H 1 3.172 0.013 . 2 . 879 . A 82 ARG HD3 . 34018 1 804 . 1 1 82 82 ARG C C 13 175.991 . . 1 . 944 . A 82 ARG C . 34018 1 805 . 1 1 82 82 ARG CA C 13 57.503 0.078 . 1 . 324 . A 82 ARG CA . 34018 1 806 . 1 1 82 82 ARG CB C 13 26.241 0.044 . 1 . 326 . A 82 ARG CB . 34018 1 807 . 1 1 82 82 ARG CG C 13 27.469 0.005 . 1 . 875 . A 82 ARG CG . 34018 1 808 . 1 1 82 82 ARG CD C 13 43.315 0.022 . 1 . 878 . A 82 ARG CD . 34018 1 809 . 1 1 82 82 ARG N N 15 112.473 0.032 . 1 . 325 . A 82 ARG N . 34018 1 810 . 1 1 83 83 THR H H 1 8.508 0.005 . 1 . 12 . A 83 THR H . 34018 1 811 . 1 1 83 83 THR HA H 1 4.359 0.003 . 1 . 480 . A 83 THR HA . 34018 1 812 . 1 1 83 83 THR HB H 1 4.275 0.003 . 1 . 599 . A 83 THR HB . 34018 1 813 . 1 1 83 83 THR HG21 H 1 0.989 0.003 . 1 . 601 . A 83 THR HG21 . 34018 1 814 . 1 1 83 83 THR HG22 H 1 0.989 0.003 . 1 . 601 . A 83 THR HG22 . 34018 1 815 . 1 1 83 83 THR HG23 H 1 0.989 0.003 . 1 . 601 . A 83 THR HG23 . 34018 1 816 . 1 1 83 83 THR C C 13 175.110 . . 1 . 946 . A 83 THR C . 34018 1 817 . 1 1 83 83 THR CA C 13 61.399 0.093 . 1 . 14 . A 83 THR CA . 34018 1 818 . 1 1 83 83 THR CB C 13 69.587 0.005 . 1 . 379 . A 83 THR CB . 34018 1 819 . 1 1 83 83 THR CG2 C 13 21.468 0.027 . 1 . 600 . A 83 THR CG2 . 34018 1 820 . 1 1 83 83 THR N N 15 107.805 0.011 . 1 . 13 . A 83 THR N . 34018 1 821 . 1 1 84 84 LEU H H 1 6.773 0.005 . 1 . 334 . A 84 LEU H . 34018 1 822 . 1 1 84 84 LEU HA H 1 3.980 0.002 . 1 . 481 . A 84 LEU HA . 34018 1 823 . 1 1 84 84 LEU HB3 H 1 1.402 0.005 . 1 . 704 . A 84 LEU HB3 . 34018 1 824 . 1 1 84 84 LEU HD11 H 1 0.920 0.002 . 2 . 701 . A 84 LEU HD11 . 34018 1 825 . 1 1 84 84 LEU HD12 H 1 0.920 0.002 . 2 . 701 . A 84 LEU HD12 . 34018 1 826 . 1 1 84 84 LEU HD13 H 1 0.920 0.002 . 2 . 701 . A 84 LEU HD13 . 34018 1 827 . 1 1 84 84 LEU HD21 H 1 0.396 0.003 . 2 . 703 . A 84 LEU HD21 . 34018 1 828 . 1 1 84 84 LEU HD22 H 1 0.396 0.003 . 2 . 703 . A 84 LEU HD22 . 34018 1 829 . 1 1 84 84 LEU HD23 H 1 0.396 0.003 . 2 . 703 . A 84 LEU HD23 . 34018 1 830 . 1 1 84 84 LEU CA C 13 54.505 0.078 . 1 . 335 . A 84 LEU CA . 34018 1 831 . 1 1 84 84 LEU CB C 13 41.868 0.013 . 1 . 337 . A 84 LEU CB . 34018 1 832 . 1 1 84 84 LEU CD1 C 13 25.556 0.04 . 2 . 700 . A 84 LEU CD1 . 34018 1 833 . 1 1 84 84 LEU CD2 C 13 25.685 0.009 . 2 . 702 . A 84 LEU CD2 . 34018 1 834 . 1 1 84 84 LEU N N 15 125.465 0.011 . 1 . 336 . A 84 LEU N . 34018 1 835 . 1 1 85 85 ASN H H 1 10.317 0.011 . 1 . 5 . A 85 ASN H . 34018 1 836 . 1 1 85 85 ASN HA H 1 4.261 0.007 . 1 . 758 . A 85 ASN HA . 34018 1 837 . 1 1 85 85 ASN HB2 H 1 3.468 0.007 . 2 . 757 . A 85 ASN HB2 . 34018 1 838 . 1 1 85 85 ASN HB3 H 1 2.185 0.004 . 2 . 756 . A 85 ASN HB3 . 34018 1 839 . 1 1 85 85 ASN HD21 H 1 8.613 0.003 . 1 . 1048 . A 85 ASN HD21 . 34018 1 840 . 1 1 85 85 ASN HD22 H 1 6.904 0.002 . 1 . 1050 . A 85 ASN HD22 . 34018 1 841 . 1 1 85 85 ASN CA C 13 55.615 0.088 . 1 . 7 . A 85 ASN CA . 34018 1 842 . 1 1 85 85 ASN CB C 13 40.087 0.023 . 1 . 755 . A 85 ASN CB . 34018 1 843 . 1 1 85 85 ASN N N 15 112.653 8.197 . 1 . 6 . A 85 ASN N . 34018 1 844 . 1 1 85 85 ASN ND2 N 15 115.558 0.014 . 1 . 1049 . A 85 ASN ND2 . 34018 1 845 . 1 1 86 86 HIS HB2 H 1 3.072 . . 2 . 1028 . A 86 HIS HB2 . 34018 1 846 . 1 1 86 86 HIS HB3 H 1 3.170 . . 2 . 1027 . A 86 HIS HB3 . 34018 1 847 . 1 1 86 86 HIS CA C 13 59.474 0.0 . 1 . 1021 . A 86 HIS CA . 34018 1 848 . 1 1 87 87 ASP H H 1 9.054 0.004 . 1 . 178 . A 87 ASP H . 34018 1 849 . 1 1 87 87 ASP HB2 H 1 2.389 0.004 . 2 . 1023 . A 87 ASP HB2 . 34018 1 850 . 1 1 87 87 ASP HB3 H 1 2.547 0.0 . 2 . 1022 . A 87 ASP HB3 . 34018 1 851 . 1 1 87 87 ASP C C 13 176.794 . . 1 . 886 . A 87 ASP C . 34018 1 852 . 1 1 87 87 ASP CA C 13 56.846 0.0 . 1 . 417 . A 87 ASP CA . 34018 1 853 . 1 1 87 87 ASP CB C 13 40.029 . . 1 . 416 . A 87 ASP CB . 34018 1 854 . 1 1 87 87 ASP N N 15 118.116 0.03 . 1 . 180 . A 87 ASP N . 34018 1 855 . 1 1 88 88 LEU H H 1 8.182 0.006 . 1 . 291 . A 88 LEU H . 34018 1 856 . 1 1 88 88 LEU HA H 1 4.632 0.006 . 1 . 482 . A 88 LEU HA . 34018 1 857 . 1 1 88 88 LEU HB3 H 1 1.764 0.004 . 1 . 707 . A 88 LEU HB3 . 34018 1 858 . 1 1 88 88 LEU HG H 1 1.427 0.002 . 1 . 1003 . A 88 LEU HG . 34018 1 859 . 1 1 88 88 LEU HD11 H 1 0.831 0.004 . 1 . 706 . A 88 LEU HD11 . 34018 1 860 . 1 1 88 88 LEU HD12 H 1 0.831 0.004 . 1 . 706 . A 88 LEU HD12 . 34018 1 861 . 1 1 88 88 LEU HD13 H 1 0.831 0.004 . 1 . 706 . A 88 LEU HD13 . 34018 1 862 . 1 1 88 88 LEU C C 13 176.346 . . 1 . 950 . A 88 LEU C . 34018 1 863 . 1 1 88 88 LEU CA C 13 54.934 0.085 . 1 . 292 . A 88 LEU CA . 34018 1 864 . 1 1 88 88 LEU CB C 13 41.707 0.033 . 1 . 294 . A 88 LEU CB . 34018 1 865 . 1 1 88 88 LEU CG C 13 28.785 0.035 . 1 . 1002 . A 88 LEU CG . 34018 1 866 . 1 1 88 88 LEU CD1 C 13 25.718 0.067 . 1 . 705 . A 88 LEU CD1 . 34018 1 867 . 1 1 88 88 LEU N N 15 119.376 0.017 . 1 . 293 . A 88 LEU N . 34018 1 868 . 1 1 89 89 SER H H 1 7.570 0.01 . 1 . 59 . A 89 SER H . 34018 1 869 . 1 1 89 89 SER HA H 1 3.905 0.003 . 1 . 737 . A 89 SER HA . 34018 1 870 . 1 1 89 89 SER C C 13 176.717 . . 1 . 949 . A 89 SER C . 34018 1 871 . 1 1 89 89 SER CA C 13 62.816 0.09 . 1 . 61 . A 89 SER CA . 34018 1 872 . 1 1 89 89 SER N N 15 116.914 0.008 . 1 . 60 . A 89 SER N . 34018 1 873 . 1 1 90 90 GLU H H 1 8.594 0.01 . 1 . 130 . A 90 GLU H . 34018 1 874 . 1 1 90 90 GLU HA H 1 3.919 0.004 . 1 . 483 . A 90 GLU HA . 34018 1 875 . 1 1 90 90 GLU HB3 H 1 1.967 0.002 . 1 . 790 . A 90 GLU HB3 . 34018 1 876 . 1 1 90 90 GLU HG2 H 1 2.221 0.003 . 2 . 793 . A 90 GLU HG2 . 34018 1 877 . 1 1 90 90 GLU HG3 H 1 2.173 0.003 . 2 . 791 . A 90 GLU HG3 . 34018 1 878 . 1 1 90 90 GLU C C 13 179.255 . . 1 . 948 . A 90 GLU C . 34018 1 879 . 1 1 90 90 GLU CA C 13 59.838 0.093 . 1 . 132 . A 90 GLU CA . 34018 1 880 . 1 1 90 90 GLU CB C 13 28.455 . . 1 . 397 . A 90 GLU CB . 34018 1 881 . 1 1 90 90 GLU CG C 13 36.409 0.008 . 1 . 792 . A 90 GLU CG . 34018 1 882 . 1 1 90 90 GLU N N 15 122.279 0.029 . 1 . 131 . A 90 GLU N . 34018 1 883 . 1 1 91 91 LEU H H 1 8.535 0.008 . 1 . 126 . A 91 LEU H . 34018 1 884 . 1 1 91 91 LEU HA H 1 4.199 0.003 . 1 . 484 . A 91 LEU HA . 34018 1 885 . 1 1 91 91 LEU HB2 H 1 1.457 0.009 . 2 . 619 . A 91 LEU HB2 . 34018 1 886 . 1 1 91 91 LEU HB3 H 1 1.765 0.004 . 2 . 618 . A 91 LEU HB3 . 34018 1 887 . 1 1 91 91 LEU HD11 H 1 0.777 0.005 . 1 . 620 . A 91 LEU HD11 . 34018 1 888 . 1 1 91 91 LEU HD12 H 1 0.777 0.005 . 1 . 620 . A 91 LEU HD12 . 34018 1 889 . 1 1 91 91 LEU HD13 H 1 0.777 0.005 . 1 . 620 . A 91 LEU HD13 . 34018 1 890 . 1 1 91 91 LEU C C 13 177.891 . . 1 . 947 . A 91 LEU C . 34018 1 891 . 1 1 91 91 LEU CA C 13 58.135 0.084 . 1 . 129 . A 91 LEU CA . 34018 1 892 . 1 1 91 91 LEU CB C 13 41.427 0.026 . 1 . 127 . A 91 LEU CB . 34018 1 893 . 1 1 91 91 LEU CD1 C 13 24.802 0.025 . 1 . 621 . A 91 LEU CD1 . 34018 1 894 . 1 1 91 91 LEU N N 15 123.421 0.04 . 1 . 128 . A 91 LEU N . 34018 1 895 . 1 1 92 92 TYR H H 1 8.599 0.006 . 1 . 146 . A 92 TYR H . 34018 1 896 . 1 1 92 92 TYR HA H 1 3.842 0.003 . 1 . 485 . A 92 TYR HA . 34018 1 897 . 1 1 92 92 TYR HB2 H 1 2.922 0.006 . 2 . 1001 . A 92 TYR HB2 . 34018 1 898 . 1 1 92 92 TYR HB3 H 1 2.829 0.003 . 2 . 582 . A 92 TYR HB3 . 34018 1 899 . 1 1 92 92 TYR HD1 H 1 6.787 0.004 . 1 . 716 . A 92 TYR HD1 . 34018 1 900 . 1 1 92 92 TYR HD2 H 1 6.787 0.004 . 1 . 716 . A 92 TYR HD2 . 34018 1 901 . 1 1 92 92 TYR HE1 H 1 6.556 0.003 . 1 . 714 . A 92 TYR HE1 . 34018 1 902 . 1 1 92 92 TYR HE2 H 1 6.556 0.003 . 1 . 714 . A 92 TYR HE2 . 34018 1 903 . 1 1 92 92 TYR C C 13 178.172 . . 1 . 951 . A 92 TYR C . 34018 1 904 . 1 1 92 92 TYR CA C 13 62.732 0.089 . 1 . 149 . A 92 TYR CA . 34018 1 905 . 1 1 92 92 TYR CB C 13 38.863 0.043 . 1 . 147 . A 92 TYR CB . 34018 1 906 . 1 1 92 92 TYR CD1 C 13 132.232 0.046 . 1 . 715 . A 92 TYR CD1 . 34018 1 907 . 1 1 92 92 TYR CD2 C 13 132.232 0.046 . 1 . 715 . A 92 TYR CD2 . 34018 1 908 . 1 1 92 92 TYR CE1 C 13 117.602 0.031 . 1 . 713 . A 92 TYR CE1 . 34018 1 909 . 1 1 92 92 TYR CE2 C 13 117.602 0.031 . 1 . 713 . A 92 TYR CE2 . 34018 1 910 . 1 1 92 92 TYR N N 15 119.472 0.037 . 1 . 148 . A 92 TYR N . 34018 1 911 . 1 1 93 93 LYS H H 1 8.328 0.009 . 1 . 243 . A 93 LYS H . 34018 1 912 . 1 1 93 93 LYS HA H 1 3.560 0.001 . 1 . 486 . A 93 LYS HA . 34018 1 913 . 1 1 93 93 LYS HB3 H 1 1.842 0.004 . 1 . 842 . A 93 LYS HB3 . 34018 1 914 . 1 1 93 93 LYS HG2 H 1 1.346 . . 2 . 843 . A 93 LYS HG2 . 34018 1 915 . 1 1 93 93 LYS HG3 H 1 1.564 . . 2 . 841 . A 93 LYS HG3 . 34018 1 916 . 1 1 93 93 LYS HD3 H 1 1.623 . . 1 . 839 . A 93 LYS HD3 . 34018 1 917 . 1 1 93 93 LYS HE3 H 1 2.878 . . 1 . 845 . A 93 LYS HE3 . 34018 1 918 . 1 1 93 93 LYS C C 13 178.216 . . 1 . 889 . A 93 LYS C . 34018 1 919 . 1 1 93 93 LYS CA C 13 59.725 0.0 . 1 . 244 . A 93 LYS CA . 34018 1 920 . 1 1 93 93 LYS CB C 13 32.178 . . 1 . 246 . A 93 LYS CB . 34018 1 921 . 1 1 93 93 LYS CG C 13 25.364 . . 1 . 840 . A 93 LYS CG . 34018 1 922 . 1 1 93 93 LYS CD C 13 29.528 . . 1 . 838 . A 93 LYS CD . 34018 1 923 . 1 1 93 93 LYS CE C 13 41.986 . . 1 . 844 . A 93 LYS CE . 34018 1 924 . 1 1 93 93 LYS N N 15 119.972 0.007 . 1 . 245 . A 93 LYS N . 34018 1 925 . 1 1 94 94 PHE H H 1 8.144 0.005 . 1 . 302 . A 94 PHE H . 34018 1 926 . 1 1 94 94 PHE HA H 1 4.243 0.014 . 1 . 487 . A 94 PHE HA . 34018 1 927 . 1 1 94 94 PHE HB2 H 1 3.144 0.006 . 2 . 588 . A 94 PHE HB2 . 34018 1 928 . 1 1 94 94 PHE HB3 H 1 3.181 0.005 . 2 . 587 . A 94 PHE HB3 . 34018 1 929 . 1 1 94 94 PHE HD1 H 1 6.914 0.004 . 1 . 720 . A 94 PHE HD1 . 34018 1 930 . 1 1 94 94 PHE HD2 H 1 6.914 0.004 . 1 . 720 . A 94 PHE HD2 . 34018 1 931 . 1 1 94 94 PHE HE1 H 1 6.612 0.01 . 1 . 725 . A 94 PHE HE1 . 34018 1 932 . 1 1 94 94 PHE HE2 H 1 6.612 0.01 . 1 . 725 . A 94 PHE HE2 . 34018 1 933 . 1 1 94 94 PHE C C 13 179.595 . . 1 . 953 . A 94 PHE C . 34018 1 934 . 1 1 94 94 PHE CA C 13 61.837 0.085 . 1 . 305 . A 94 PHE CA . 34018 1 935 . 1 1 94 94 PHE CB C 13 39.922 0.026 . 1 . 586 . A 94 PHE CB . 34018 1 936 . 1 1 94 94 PHE CD1 C 13 131.193 0.137 . 1 . 719 . A 94 PHE CD1 . 34018 1 937 . 1 1 94 94 PHE CD2 C 13 131.193 0.137 . 1 . 719 . A 94 PHE CD2 . 34018 1 938 . 1 1 94 94 PHE CE1 C 13 130.823 0.184 . 1 . 726 . A 94 PHE CE1 . 34018 1 939 . 1 1 94 94 PHE CE2 C 13 130.823 0.184 . 1 . 726 . A 94 PHE CE2 . 34018 1 940 . 1 1 94 94 PHE N N 15 119.982 0.045 . 1 . 304 . A 94 PHE N . 34018 1 941 . 1 1 95 95 ILE H H 1 8.250 0.005 . 1 . 344 . A 95 ILE H . 34018 1 942 . 1 1 95 95 ILE HA H 1 3.947 0.005 . 1 . 571 . A 95 ILE HA . 34018 1 943 . 1 1 95 95 ILE HB H 1 2.139 0.002 . 1 . 569 . A 95 ILE HB . 34018 1 944 . 1 1 95 95 ILE HG12 H 1 1.150 0.007 . 2 . 568 . A 95 ILE HG12 . 34018 1 945 . 1 1 95 95 ILE HG13 H 1 1.718 0.003 . 2 . 566 . A 95 ILE HG13 . 34018 1 946 . 1 1 95 95 ILE HG21 H 1 1.025 0.004 . 1 . 562 . A 95 ILE HG21 . 34018 1 947 . 1 1 95 95 ILE HG22 H 1 1.025 0.004 . 1 . 562 . A 95 ILE HG22 . 34018 1 948 . 1 1 95 95 ILE HG23 H 1 1.025 0.004 . 1 . 562 . A 95 ILE HG23 . 34018 1 949 . 1 1 95 95 ILE HD11 H 1 0.762 0.004 . 1 . 564 . A 95 ILE HD11 . 34018 1 950 . 1 1 95 95 ILE HD12 H 1 0.762 0.004 . 1 . 564 . A 95 ILE HD12 . 34018 1 951 . 1 1 95 95 ILE HD13 H 1 0.762 0.004 . 1 . 564 . A 95 ILE HD13 . 34018 1 952 . 1 1 95 95 ILE C C 13 175.314 . . 1 . 954 . A 95 ILE C . 34018 1 953 . 1 1 95 95 ILE CA C 13 63.561 0.08 . 1 . 345 . A 95 ILE CA . 34018 1 954 . 1 1 95 95 ILE CB C 13 37.898 0.013 . 1 . 570 . A 95 ILE CB . 34018 1 955 . 1 1 95 95 ILE CG1 C 13 25.596 0.02 . 1 . 567 . A 95 ILE CG1 . 34018 1 956 . 1 1 95 95 ILE CG2 C 13 18.376 0.017 . 1 . 563 . A 95 ILE CG2 . 34018 1 957 . 1 1 95 95 ILE CD1 C 13 14.956 0.025 . 1 . 565 . A 95 ILE CD1 . 34018 1 958 . 1 1 95 95 ILE N N 15 110.222 0.02 . 1 . 346 . A 95 ILE N . 34018 1 959 . 1 1 96 96 THR H H 1 7.052 0.017 . 1 . 33 . A 96 THR H . 34018 1 960 . 1 1 96 96 THR HA H 1 4.147 0.004 . 1 . 602 . A 96 THR HA . 34018 1 961 . 1 1 96 96 THR HB H 1 4.149 0.008 . 1 . 603 . A 96 THR HB . 34018 1 962 . 1 1 96 96 THR HG21 H 1 0.544 0.004 . 1 . 604 . A 96 THR HG21 . 34018 1 963 . 1 1 96 96 THR HG22 H 1 0.544 0.004 . 1 . 604 . A 96 THR HG22 . 34018 1 964 . 1 1 96 96 THR HG23 H 1 0.544 0.004 . 1 . 604 . A 96 THR HG23 . 34018 1 965 . 1 1 96 96 THR C C 13 173.900 . . 1 . 952 . A 96 THR C . 34018 1 966 . 1 1 96 96 THR CA C 13 61.214 0.098 . 1 . 34 . A 96 THR CA . 34018 1 967 . 1 1 96 96 THR CB C 13 69.364 . . 1 . 418 . A 96 THR CB . 34018 1 968 . 1 1 96 96 THR CG2 C 13 21.081 0.011 . 1 . 605 . A 96 THR CG2 . 34018 1 969 . 1 1 96 96 THR N N 15 109.238 0.202 . 1 . 35 . A 96 THR N . 34018 1 970 . 1 1 97 97 SER H H 1 7.132 0.031 . 1 . 51 . A 97 SER H . 34018 1 971 . 1 1 97 97 SER HA H 1 4.450 . . 1 . 488 . A 97 SER HA . 34018 1 972 . 1 1 97 97 SER CA C 13 58.672 0.001 . 1 . 52 . A 97 SER CA . 34018 1 973 . 1 1 97 97 SER CB C 13 65.094 . . 1 . 54 . A 97 SER CB . 34018 1 974 . 1 1 97 97 SER N N 15 118.236 0.085 . 1 . 53 . A 97 SER N . 34018 1 975 . 1 1 100 100 ALA HA H 1 3.825 0.003 . 1 . 1012 . A 100 ALA HA . 34018 1 976 . 1 1 100 100 ALA HB1 H 1 1.132 0.003 . 1 . 1010 . A 100 ALA HB1 . 34018 1 977 . 1 1 100 100 ALA HB2 H 1 1.132 0.003 . 1 . 1010 . A 100 ALA HB2 . 34018 1 978 . 1 1 100 100 ALA HB3 H 1 1.132 0.003 . 1 . 1010 . A 100 ALA HB3 . 34018 1 979 . 1 1 100 100 ALA CA C 13 51.407 0.04 . 1 . 1013 . A 100 ALA CA . 34018 1 980 . 1 1 100 100 ALA CB C 13 19.177 0.026 . 1 . 1011 . A 100 ALA CB . 34018 1 981 . 1 1 104 104 ASN C C 13 175.613 . . 1 . 955 . A 104 ASN C . 34018 1 982 . 1 1 104 104 ASN CA C 13 54.424 . . 1 . 409 . A 104 ASN CA . 34018 1 983 . 1 1 104 104 ASN CB C 13 38.884 . . 1 . 408 . A 104 ASN CB . 34018 1 984 . 1 1 105 105 LEU H H 1 7.804 0.012 . 1 . 221 . A 105 LEU H . 34018 1 985 . 1 1 105 105 LEU HA H 1 4.140 0.001 . 1 . 1007 . A 105 LEU HA . 34018 1 986 . 1 1 105 105 LEU HB2 H 1 1.431 0.002 . 2 . 1009 . A 105 LEU HB2 . 34018 1 987 . 1 1 105 105 LEU HB3 H 1 1.200 0.003 . 2 . 1008 . A 105 LEU HB3 . 34018 1 988 . 1 1 105 105 LEU HG H 1 1.381 0.002 . 1 . 971 . A 105 LEU HG . 34018 1 989 . 1 1 105 105 LEU HD11 H 1 0.347 0.005 . 2 . 966 . A 105 LEU HD11 . 34018 1 990 . 1 1 105 105 LEU HD12 H 1 0.347 0.005 . 2 . 966 . A 105 LEU HD12 . 34018 1 991 . 1 1 105 105 LEU HD13 H 1 0.347 0.005 . 2 . 966 . A 105 LEU HD13 . 34018 1 992 . 1 1 105 105 LEU HD21 H 1 0.260 0.004 . 2 . 968 . A 105 LEU HD21 . 34018 1 993 . 1 1 105 105 LEU HD22 H 1 0.260 0.004 . 2 . 968 . A 105 LEU HD22 . 34018 1 994 . 1 1 105 105 LEU HD23 H 1 0.260 0.004 . 2 . 968 . A 105 LEU HD23 . 34018 1 995 . 1 1 105 105 LEU C C 13 177.248 . . 1 . 956 . A 105 LEU C . 34018 1 996 . 1 1 105 105 LEU CA C 13 55.385 0.111 . 1 . 222 . A 105 LEU CA . 34018 1 997 . 1 1 105 105 LEU CB C 13 42.195 0.027 . 1 . 973 . A 105 LEU CB . 34018 1 998 . 1 1 105 105 LEU CG C 13 26.136 . . 1 . 972 . A 105 LEU CG . 34018 1 999 . 1 1 105 105 LEU CD1 C 13 22.584 0.022 . 2 . 967 . A 105 LEU CD1 . 34018 1 1000 . 1 1 105 105 LEU CD2 C 13 25.115 0.014 . 2 . 969 . A 105 LEU CD2 . 34018 1 1001 . 1 1 105 105 LEU N N 15 118.918 0.104 . 1 . 223 . A 105 LEU N . 34018 1 1002 . 1 1 106 106 GLY H H 1 7.947 0.009 . 1 . 28 . A 106 GLY H . 34018 1 1003 . 1 1 106 106 GLY C C 13 174.729 . . 1 . 957 . A 106 GLY C . 34018 1 1004 . 1 1 106 106 GLY CA C 13 45.570 0.0 . 1 . 29 . A 106 GLY CA . 34018 1 1005 . 1 1 106 106 GLY N N 15 106.940 0.041 . 1 . 30 . A 106 GLY N . 34018 1 1006 . 1 1 107 107 GLY H H 1 8.084 0.01 . 1 . 26 . A 107 GLY H . 34018 1 1007 . 1 1 107 107 GLY HA3 H 1 3.902 . . 1 . 746 . A 107 GLY HA3 . 34018 1 1008 . 1 1 107 107 GLY C C 13 174.552 . . 1 . 958 . A 107 GLY C . 34018 1 1009 . 1 1 107 107 GLY CA C 13 45.677 . . 1 . 410 . A 107 GLY CA . 34018 1 1010 . 1 1 107 107 GLY N N 15 107.994 0.033 . 1 . 27 . A 107 GLY N . 34018 1 1011 . 1 1 108 108 GLY H H 1 8.252 0.004 . 1 . 18 . A 108 GLY H . 34018 1 1012 . 1 1 108 108 GLY HA3 H 1 3.856 . . 1 . 1029 . A 108 GLY HA3 . 34018 1 1013 . 1 1 108 108 GLY C C 13 173.936 . . 1 . 959 . A 108 GLY C . 34018 1 1014 . 1 1 108 108 GLY CA C 13 45.413 0.001 . 1 . 407 . A 108 GLY CA . 34018 1 1015 . 1 1 108 108 GLY N N 15 108.358 0.021 . 1 . 19 . A 108 GLY N . 34018 1 1016 . 1 1 109 109 LEU H H 1 7.931 0.012 . 1 . 266 . A 109 LEU H . 34018 1 1017 . 1 1 109 109 LEU HA H 1 4.267 . . 1 . 708 . A 109 LEU HA . 34018 1 1018 . 1 1 109 109 LEU C C 13 177.018 . . 1 . 916 . A 109 LEU C . 34018 1 1019 . 1 1 109 109 LEU CA C 13 55.485 0.001 . 1 . 267 . A 109 LEU CA . 34018 1 1020 . 1 1 109 109 LEU CB C 13 42.530 . . 1 . 366 . A 109 LEU CB . 34018 1 1021 . 1 1 109 109 LEU N N 15 121.173 0.048 . 1 . 268 . A 109 LEU N . 34018 1 1022 . 1 1 110 110 ILE H H 1 7.986 0.005 . 1 . 272 . A 110 ILE H . 34018 1 1023 . 1 1 110 110 ILE HA H 1 3.949 0.001 . 1 . 532 . A 110 ILE HA . 34018 1 1024 . 1 1 110 110 ILE HB H 1 1.692 0.003 . 1 . 535 . A 110 ILE HB . 34018 1 1025 . 1 1 110 110 ILE HG12 H 1 1.315 0.005 . 2 . 539 . A 110 ILE HG12 . 34018 1 1026 . 1 1 110 110 ILE HG13 H 1 1.018 0.005 . 2 . 537 . A 110 ILE HG13 . 34018 1 1027 . 1 1 110 110 ILE HG21 H 1 0.704 0.004 . 1 . 542 . A 110 ILE HG21 . 34018 1 1028 . 1 1 110 110 ILE HG22 H 1 0.704 0.004 . 1 . 542 . A 110 ILE HG22 . 34018 1 1029 . 1 1 110 110 ILE HG23 H 1 0.704 0.004 . 1 . 542 . A 110 ILE HG23 . 34018 1 1030 . 1 1 110 110 ILE HD11 H 1 0.685 0.005 . 1 . 540 . A 110 ILE HD11 . 34018 1 1031 . 1 1 110 110 ILE HD12 H 1 0.685 0.005 . 1 . 540 . A 110 ILE HD12 . 34018 1 1032 . 1 1 110 110 ILE HD13 H 1 0.685 0.005 . 1 . 540 . A 110 ILE HD13 . 34018 1 1033 . 1 1 110 110 ILE C C 13 176.034 . . 1 . 960 . A 110 ILE C . 34018 1 1034 . 1 1 110 110 ILE CA C 13 61.253 0.085 . 1 . 273 . A 110 ILE CA . 34018 1 1035 . 1 1 110 110 ILE CB C 13 38.333 . . 1 . 275 . A 110 ILE CB . 34018 1 1036 . 1 1 110 110 ILE CG1 C 13 27.315 0.008 . 1 . 538 . A 110 ILE CG1 . 34018 1 1037 . 1 1 110 110 ILE CG2 C 13 17.449 0.008 . 1 . 543 . A 110 ILE CG2 . 34018 1 1038 . 1 1 110 110 ILE CD1 C 13 12.727 0.014 . 1 . 541 . A 110 ILE CD1 . 34018 1 1039 . 1 1 110 110 ILE N N 15 121.187 0.001 . 1 . 274 . A 110 ILE N . 34018 1 1040 . 1 1 111 111 MET H H 1 8.155 0.009 . 1 . 110 . A 111 MET H . 34018 1 1041 . 1 1 111 111 MET CA C 13 55.341 . . 1 . 111 . A 111 MET CA . 34018 1 1042 . 1 1 111 111 MET CB C 13 32.593 . . 1 . 113 . A 111 MET CB . 34018 1 1043 . 1 1 111 111 MET N N 15 123.406 0.1 . 1 . 112 . A 111 MET N . 34018 1 1044 . 1 1 112 112 SER C C 13 174.289 . . 1 . 961 . A 112 SER C . 34018 1 1045 . 1 1 112 112 SER CA C 13 58.660 . . 1 . 411 . A 112 SER CA . 34018 1 1046 . 1 1 112 112 SER CB C 13 63.571 . . 1 . 412 . A 112 SER CB . 34018 1 1047 . 1 1 113 113 TRP H H 1 7.921 0.005 . 1 . 398 . A 113 TRP H . 34018 1 1048 . 1 1 113 113 TRP HA H 1 4.520 0.001 . 1 . 576 . A 113 TRP HA . 34018 1 1049 . 1 1 113 113 TRP HB2 H 1 3.177 . . 2 . 578 . A 113 TRP HB2 . 34018 1 1050 . 1 1 113 113 TRP HB3 H 1 3.177 . . 2 . 577 . A 113 TRP HB3 . 34018 1 1051 . 1 1 113 113 TRP HD1 H 1 7.191 . . 1 . 1055 . A 113 TRP HD1 . 34018 1 1052 . 1 1 113 113 TRP HE1 H 1 10.041 0.035 . 1 . 574 . A 113 TRP HE1 . 34018 1 1053 . 1 1 113 113 TRP HZ2 H 1 7.413 0.005 . 1 . 1052 . A 113 TRP HZ2 . 34018 1 1054 . 1 1 113 113 TRP HH2 H 1 7.153 0.002 . 1 . 1054 . A 113 TRP HH2 . 34018 1 1055 . 1 1 113 113 TRP C C 13 176.462 . . 1 . 962 . A 113 TRP C . 34018 1 1056 . 1 1 113 113 TRP CA C 13 57.581 0.09 . 1 . 400 . A 113 TRP CA . 34018 1 1057 . 1 1 113 113 TRP CB C 13 29.453 . . 1 . 413 . A 113 TRP CB . 34018 1 1058 . 1 1 113 113 TRP CZ2 C 13 114.630 0.01 . 1 . 1051 . A 113 TRP CZ2 . 34018 1 1059 . 1 1 113 113 TRP CH2 C 13 124.605 . . 1 . 1053 . A 113 TRP CH2 . 34018 1 1060 . 1 1 113 113 TRP N N 15 122.098 0.021 . 1 . 399 . A 113 TRP N . 34018 1 1061 . 1 1 113 113 TRP NE1 N 15 129.331 0.032 . 1 . 575 . A 113 TRP NE1 . 34018 1 1062 . 1 1 114 114 GLY H H 1 8.039 0.005 . 1 . 23 . A 114 GLY H . 34018 1 1063 . 1 1 114 114 GLY C C 13 173.488 . . 1 . 963 . A 114 GLY C . 34018 1 1064 . 1 1 114 114 GLY CA C 13 45.510 0.0 . 1 . 24 . A 114 GLY CA . 34018 1 1065 . 1 1 114 114 GLY N N 15 109.329 0.069 . 1 . 25 . A 114 GLY N . 34018 1 1066 . 1 1 115 115 ARG H H 1 7.873 0.006 . 1 . 228 . A 115 ARG H . 34018 1 1067 . 1 1 115 115 ARG C C 13 175.801 . . 1 . 964 . A 115 ARG C . 34018 1 1068 . 1 1 115 115 ARG CA C 13 56.088 0.0 . 1 . 229 . A 115 ARG CA . 34018 1 1069 . 1 1 115 115 ARG CB C 13 30.908 . . 1 . 231 . A 115 ARG CB . 34018 1 1070 . 1 1 115 115 ARG N N 15 119.768 0.026 . 1 . 230 . A 115 ARG N . 34018 1 1071 . 1 1 116 116 LEU H H 1 8.108 0.011 . 1 . 1 . A 116 LEU H . 34018 1 1072 . 1 1 116 116 LEU C C 13 175.704 . . 1 . 965 . A 116 LEU C . 34018 1 1073 . 1 1 116 116 LEU CA C 13 55.442 0.001 . 1 . 3 . A 116 LEU CA . 34018 1 1074 . 1 1 116 116 LEU CB C 13 42.590 . . 1 . 415 . A 116 LEU CB . 34018 1 1075 . 1 1 116 116 LEU N N 15 122.958 0.061 . 1 . 2 . A 116 LEU N . 34018 1 1076 . 1 1 117 117 PHE H H 1 7.454 0.005 . 1 . 78 . A 117 PHE H . 34018 1 1077 . 1 1 117 117 PHE HA H 1 4.311 0.003 . 1 . 591 . A 117 PHE HA . 34018 1 1078 . 1 1 117 117 PHE HB2 H 1 3.045 0.005 . 2 . 590 . A 117 PHE HB2 . 34018 1 1079 . 1 1 117 117 PHE HB3 H 1 2.844 0.006 . 2 . 589 . A 117 PHE HB3 . 34018 1 1080 . 1 1 117 117 PHE CA C 13 58.720 0.083 . 1 . 79 . A 117 PHE CA . 34018 1 1081 . 1 1 117 117 PHE CB C 13 40.322 0.015 . 1 . 81 . A 117 PHE CB . 34018 1 1082 . 1 1 117 117 PHE N N 15 123.774 0.045 . 1 . 80 . A 117 PHE N . 34018 1 stop_ save_