data_30397 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30397 _Entry.Title ; Zika virus capsid protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-01-11 _Entry.Accession_date 2018-01-11 _Entry.Last_release_date 2018-04-02 _Entry.Original_release_date 2018-04-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30397 stop_ 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 M. Morando M. A. . . 30397 2 G. Barbosa G. M. . . 30397 3 C. Cruz-Oliveira C. . . . 30397 4 A. 'Da Poian' A. T. . . 30397 5 F. Almeida F. C.L. . . 30397 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RNA binding protein' . 30397 'VIRAL PROTEIN' . 30397 capsid . 30397 'zika virus' . 30397 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30397 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 459 30397 '15N chemical shifts' 98 30397 '1H chemical shifts' 750 30397 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-07-15 2018-01-11 update BMRB 'update entry citation' 30397 1 . . 2019-01-11 2018-01-11 original author 'original release' 30397 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6C44 . 30397 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30397 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31034208 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Dynamics of Zika Virus Capsid Protein in Solution: The Properties and Exposure of the Hydrophobic Cleft Are Controlled by the alpha-Helix 1 Sequence ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 58 _Citation.Journal_issue 20 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2488 _Citation.Page_last 2498 _Citation.Year 2019 _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 M. Morando M. A. . . 30397 1 2 G. Barbosa G. M. . . 30397 1 3 C. Cruz-Oliveira C. . . . 30397 1 4 A. 'Da Poian' A. T. . . 30397 1 5 F. Almeida F. C.L. . . 30397 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30397 _Assembly.ID 1 _Assembly.Name 'Capsid protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'entity_1, chain 1' 1 $entity_1 A A yes . . . . . . 30397 1 2 'entity_1, chain 2' 1 $entity_1 B B yes . . . . . . 30397 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30397 _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,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKNPKKKSGGFRIVNMLKRG VARVSPFGGLKRLPAGLLLG HGPIRMVLAILAFLRFTAIK PSLGLINRWGSVGKKEAMEI IKKFKKDLAAMLRIINARKE KKRR ; _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 1-104' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11676.451 _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 . 30397 1 2 . LYS . 30397 1 3 . ASN . 30397 1 4 . PRO . 30397 1 5 . LYS . 30397 1 6 . LYS . 30397 1 7 . LYS . 30397 1 8 . SER . 30397 1 9 . GLY . 30397 1 10 . GLY . 30397 1 11 . PHE . 30397 1 12 . ARG . 30397 1 13 . ILE . 30397 1 14 . VAL . 30397 1 15 . ASN . 30397 1 16 . MET . 30397 1 17 . LEU . 30397 1 18 . LYS . 30397 1 19 . ARG . 30397 1 20 . GLY . 30397 1 21 . VAL . 30397 1 22 . ALA . 30397 1 23 . ARG . 30397 1 24 . VAL . 30397 1 25 . SER . 30397 1 26 . PRO . 30397 1 27 . PHE . 30397 1 28 . GLY . 30397 1 29 . GLY . 30397 1 30 . LEU . 30397 1 31 . LYS . 30397 1 32 . ARG . 30397 1 33 . LEU . 30397 1 34 . PRO . 30397 1 35 . ALA . 30397 1 36 . GLY . 30397 1 37 . LEU . 30397 1 38 . LEU . 30397 1 39 . LEU . 30397 1 40 . GLY . 30397 1 41 . HIS . 30397 1 42 . GLY . 30397 1 43 . PRO . 30397 1 44 . ILE . 30397 1 45 . ARG . 30397 1 46 . MET . 30397 1 47 . VAL . 30397 1 48 . LEU . 30397 1 49 . ALA . 30397 1 50 . ILE . 30397 1 51 . LEU . 30397 1 52 . ALA . 30397 1 53 . PHE . 30397 1 54 . LEU . 30397 1 55 . ARG . 30397 1 56 . PHE . 30397 1 57 . THR . 30397 1 58 . ALA . 30397 1 59 . ILE . 30397 1 60 . LYS . 30397 1 61 . PRO . 30397 1 62 . SER . 30397 1 63 . LEU . 30397 1 64 . GLY . 30397 1 65 . LEU . 30397 1 66 . ILE . 30397 1 67 . ASN . 30397 1 68 . ARG . 30397 1 69 . TRP . 30397 1 70 . GLY . 30397 1 71 . SER . 30397 1 72 . VAL . 30397 1 73 . GLY . 30397 1 74 . LYS . 30397 1 75 . LYS . 30397 1 76 . GLU . 30397 1 77 . ALA . 30397 1 78 . MET . 30397 1 79 . GLU . 30397 1 80 . ILE . 30397 1 81 . ILE . 30397 1 82 . LYS . 30397 1 83 . LYS . 30397 1 84 . PHE . 30397 1 85 . LYS . 30397 1 86 . LYS . 30397 1 87 . ASP . 30397 1 88 . LEU . 30397 1 89 . ALA . 30397 1 90 . ALA . 30397 1 91 . MET . 30397 1 92 . LEU . 30397 1 93 . ARG . 30397 1 94 . ILE . 30397 1 95 . ILE . 30397 1 96 . ASN . 30397 1 97 . ALA . 30397 1 98 . ARG . 30397 1 99 . LYS . 30397 1 100 . GLU . 30397 1 101 . LYS . 30397 1 102 . LYS . 30397 1 103 . ARG . 30397 1 104 . ARG . 30397 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 30397 1 . LYS 2 2 30397 1 . ASN 3 3 30397 1 . PRO 4 4 30397 1 . LYS 5 5 30397 1 . LYS 6 6 30397 1 . LYS 7 7 30397 1 . SER 8 8 30397 1 . GLY 9 9 30397 1 . GLY 10 10 30397 1 . PHE 11 11 30397 1 . ARG 12 12 30397 1 . ILE 13 13 30397 1 . VAL 14 14 30397 1 . ASN 15 15 30397 1 . MET 16 16 30397 1 . LEU 17 17 30397 1 . LYS 18 18 30397 1 . ARG 19 19 30397 1 . GLY 20 20 30397 1 . VAL 21 21 30397 1 . ALA 22 22 30397 1 . ARG 23 23 30397 1 . VAL 24 24 30397 1 . SER 25 25 30397 1 . PRO 26 26 30397 1 . PHE 27 27 30397 1 . GLY 28 28 30397 1 . GLY 29 29 30397 1 . LEU 30 30 30397 1 . LYS 31 31 30397 1 . ARG 32 32 30397 1 . LEU 33 33 30397 1 . PRO 34 34 30397 1 . ALA 35 35 30397 1 . GLY 36 36 30397 1 . LEU 37 37 30397 1 . LEU 38 38 30397 1 . LEU 39 39 30397 1 . GLY 40 40 30397 1 . HIS 41 41 30397 1 . GLY 42 42 30397 1 . PRO 43 43 30397 1 . ILE 44 44 30397 1 . ARG 45 45 30397 1 . MET 46 46 30397 1 . VAL 47 47 30397 1 . LEU 48 48 30397 1 . ALA 49 49 30397 1 . ILE 50 50 30397 1 . LEU 51 51 30397 1 . ALA 52 52 30397 1 . PHE 53 53 30397 1 . LEU 54 54 30397 1 . ARG 55 55 30397 1 . PHE 56 56 30397 1 . THR 57 57 30397 1 . ALA 58 58 30397 1 . ILE 59 59 30397 1 . LYS 60 60 30397 1 . PRO 61 61 30397 1 . SER 62 62 30397 1 . LEU 63 63 30397 1 . GLY 64 64 30397 1 . LEU 65 65 30397 1 . ILE 66 66 30397 1 . ASN 67 67 30397 1 . ARG 68 68 30397 1 . TRP 69 69 30397 1 . GLY 70 70 30397 1 . SER 71 71 30397 1 . VAL 72 72 30397 1 . GLY 73 73 30397 1 . LYS 74 74 30397 1 . LYS 75 75 30397 1 . GLU 76 76 30397 1 . ALA 77 77 30397 1 . MET 78 78 30397 1 . GLU 79 79 30397 1 . ILE 80 80 30397 1 . ILE 81 81 30397 1 . LYS 82 82 30397 1 . LYS 83 83 30397 1 . PHE 84 84 30397 1 . LYS 85 85 30397 1 . LYS 86 86 30397 1 . ASP 87 87 30397 1 . LEU 88 88 30397 1 . ALA 89 89 30397 1 . ALA 90 90 30397 1 . MET 91 91 30397 1 . LEU 92 92 30397 1 . ARG 93 93 30397 1 . ILE 94 94 30397 1 . ILE 95 95 30397 1 . ASN 96 96 30397 1 . ALA 97 97 30397 1 . ARG 98 98 30397 1 . LYS 99 99 30397 1 . GLU 100 100 30397 1 . LYS 101 101 30397 1 . LYS 102 102 30397 1 . ARG 103 103 30397 1 . ARG 104 104 30397 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 30397 _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 . 64320 . . 'Zika virus (strain Mr 766)' ZIKV . . Viruses . Flavivirus ZIKV 'Mr 766' . . . . . . . . . . . . 30397 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 30397 _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' . . 469008 . . BL21(DE3)pLysS . . plasmid . . pET3a . . . 30397 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30397 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-99% 13C; U-99% 15N] ZIKVC, 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 ZIKVC '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 300 . . uM 0.1 . . . 30397 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 30397 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2323 . M 30397 1 pH 6.0 . pH 30397 1 pressure 1 . atm 30397 1 temperature 308 . K 30397 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30397 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version 1.21 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 30397 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30397 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30397 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30397 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30397 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30397 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30397 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30397 3 'peak picking' . 30397 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 30397 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30397 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIIIHD _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 30397 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . 30397 1 2 NMR_spectrometer_2 Bruker AvanceIIIHD . 900 . . . 30397 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 30397 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30397 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30397 1 3 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30397 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30397 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30397 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30397 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30397 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30397 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30397 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30397 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30397 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30397 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 30397 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30397 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30397 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30397 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 30397 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 30397 1 2 '3D HNCA' . . . 30397 1 3 '3D HN(CA)CO' . . . 30397 1 4 '3D HNCACB' . . . 30397 1 5 '3D CBCA(CO)NH' . . . 30397 1 6 '3D HBHA(CO)NH' . . . 30397 1 7 '3D HCCH-TOCSY' . . . 30397 1 8 '2D 1H-15N HSQC' . . . 30397 1 9 '3D 1H-15N NOESY' . . . 30397 1 10 '3D 1H-13C NOESY aliphatic' . . . 30397 1 11 '3D 1H-13C NOESY aromatic' . . . 30397 1 12 '2D 1H-13C HSQC' . . . 30397 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 4.330 0.004 . 1 . . . . A 1 MET HA . 30397 1 2 . 1 . 1 1 1 MET HB2 H 1 1.822 0.001 . 1 . . . . A 1 MET HB2 . 30397 1 3 . 1 . 1 1 1 MET HB3 H 1 1.822 0.001 . 1 . . . . A 1 MET HB3 . 30397 1 4 . 1 . 1 1 1 MET HG2 H 1 1.648 0.001 . 1 . . . . A 1 MET HG2 . 30397 1 5 . 1 . 1 1 1 MET HG3 H 1 1.648 0.001 . 1 . . . . A 1 MET HG3 . 30397 1 6 . 1 . 1 1 1 MET HE1 H 1 1.756 0.001 . 1 . . . . A 1 MET HE1 . 30397 1 7 . 1 . 1 1 1 MET HE2 H 1 1.756 0.001 . 1 . . . . A 1 MET HE2 . 30397 1 8 . 1 . 1 1 1 MET HE3 H 1 1.756 0.001 . 1 . . . . A 1 MET HE3 . 30397 1 9 . 1 . 1 1 1 MET C C 13 175.530 0.000 . 1 . . . . A 1 MET C . 30397 1 10 . 1 . 1 1 1 MET CA C 13 57.870 0.006 . 1 . . . . A 1 MET CA . 30397 1 11 . 1 . 1 1 1 MET CB C 13 32.540 0.000 . 1 . . . . A 1 MET CB . 30397 1 12 . 1 . 1 1 1 MET CG C 13 29.485 0.006 . 1 . . . . A 1 MET CG . 30397 1 13 . 1 . 1 1 1 MET CE C 13 16.212 0.019 . 1 . . . . A 1 MET CE . 30397 1 14 . 1 . 1 2 2 LYS H H 1 8.169 0.001 . 1 . . . . A 2 LYS H . 30397 1 15 . 1 . 1 2 2 LYS HA H 1 4.416 0.002 . 1 . . . . A 2 LYS HA . 30397 1 16 . 1 . 1 2 2 LYS HB2 H 1 1.831 0.001 . 1 . . . . A 2 LYS HB2 . 30397 1 17 . 1 . 1 2 2 LYS HB3 H 1 1.831 0.001 . 1 . . . . A 2 LYS HB3 . 30397 1 18 . 1 . 1 2 2 LYS HG2 H 1 1.481 0.000 . 1 . . . . A 2 LYS HG2 . 30397 1 19 . 1 . 1 2 2 LYS HG3 H 1 1.481 0.000 . 1 . . . . A 2 LYS HG3 . 30397 1 20 . 1 . 1 2 2 LYS HD2 H 1 1.726 0.000 . 1 . . . . A 2 LYS HD2 . 30397 1 21 . 1 . 1 2 2 LYS HD3 H 1 1.726 0.000 . 1 . . . . A 2 LYS HD3 . 30397 1 22 . 1 . 1 2 2 LYS HE2 H 1 3.050 0.001 . 1 . . . . A 2 LYS HE2 . 30397 1 23 . 1 . 1 2 2 LYS HE3 H 1 3.050 0.001 . 1 . . . . A 2 LYS HE3 . 30397 1 24 . 1 . 1 2 2 LYS C C 13 175.608 0.000 . 1 . . . . A 2 LYS C . 30397 1 25 . 1 . 1 2 2 LYS CA C 13 56.489 0.001 . 1 . . . . A 2 LYS CA . 30397 1 26 . 1 . 1 2 2 LYS CB C 13 32.842 0.002 . 1 . . . . A 2 LYS CB . 30397 1 27 . 1 . 1 2 2 LYS CG C 13 24.901 0.002 . 1 . . . . A 2 LYS CG . 30397 1 28 . 1 . 1 2 2 LYS CD C 13 29.329 0.002 . 1 . . . . A 2 LYS CD . 30397 1 29 . 1 . 1 2 2 LYS CE C 13 42.140 0.002 . 1 . . . . A 2 LYS CE . 30397 1 30 . 1 . 1 2 2 LYS N N 15 122.667 0.002 . 1 . . . . A 2 LYS N . 30397 1 31 . 1 . 1 3 3 ASN H H 1 8.583 0.003 . 1 . . . . A 3 ASN H . 30397 1 32 . 1 . 1 3 3 ASN HA H 1 5.019 0.002 . 1 . . . . A 3 ASN HA . 30397 1 33 . 1 . 1 3 3 ASN HB2 H 1 2.880 0.002 . 2 . . . . A 3 ASN HB2 . 30397 1 34 . 1 . 1 3 3 ASN HB3 H 1 2.745 0.000 . 2 . . . . A 3 ASN HB3 . 30397 1 35 . 1 . 1 3 3 ASN C C 13 173.334 0.000 . 1 . . . . A 3 ASN C . 30397 1 36 . 1 . 1 3 3 ASN CA C 13 51.363 0.063 . 1 . . . . A 3 ASN CA . 30397 1 37 . 1 . 1 3 3 ASN CB C 13 39.156 0.025 . 1 . . . . A 3 ASN CB . 30397 1 38 . 1 . 1 3 3 ASN N N 15 121.313 0.005 . 1 . . . . A 3 ASN N . 30397 1 39 . 1 . 1 4 4 PRO HA H 1 4.495 0.003 . 1 . . . . A 4 PRO HA . 30397 1 40 . 1 . 1 4 4 PRO HB2 H 1 2.347 0.006 . 2 . . . . A 4 PRO HB2 . 30397 1 41 . 1 . 1 4 4 PRO HB3 H 1 1.988 0.009 . 2 . . . . A 4 PRO HB3 . 30397 1 42 . 1 . 1 4 4 PRO HG2 H 1 2.068 0.010 . 1 . . . . A 4 PRO HG2 . 30397 1 43 . 1 . 1 4 4 PRO HG3 H 1 2.068 0.010 . 1 . . . . A 4 PRO HG3 . 30397 1 44 . 1 . 1 4 4 PRO HD2 H 1 3.841 0.015 . 2 . . . . A 4 PRO HD2 . 30397 1 45 . 1 . 1 4 4 PRO HD3 H 1 3.808 0.010 . 2 . . . . A 4 PRO HD3 . 30397 1 46 . 1 . 1 4 4 PRO C C 13 176.843 0.000 . 1 . . . . A 4 PRO C . 30397 1 47 . 1 . 1 4 4 PRO CA C 13 63.475 0.002 . 1 . . . . A 4 PRO CA . 30397 1 48 . 1 . 1 4 4 PRO CB C 13 32.089 0.167 . 1 . . . . A 4 PRO CB . 30397 1 49 . 1 . 1 4 4 PRO CG C 13 27.413 0.134 . 1 . . . . A 4 PRO CG . 30397 1 50 . 1 . 1 4 4 PRO CD C 13 50.830 0.028 . 1 . . . . A 4 PRO CD . 30397 1 51 . 1 . 1 5 5 LYS H H 1 8.257 0.002 . 1 . . . . A 5 LYS H . 30397 1 52 . 1 . 1 5 5 LYS HA H 1 4.330 0.000 . 1 . . . . A 5 LYS HA . 30397 1 53 . 1 . 1 5 5 LYS HB2 H 1 1.843 0.000 . 1 . . . . A 5 LYS HB2 . 30397 1 54 . 1 . 1 5 5 LYS HB3 H 1 1.843 0.000 . 1 . . . . A 5 LYS HB3 . 30397 1 55 . 1 . 1 5 5 LYS HG2 H 1 1.481 0.000 . 1 . . . . A 5 LYS HG2 . 30397 1 56 . 1 . 1 5 5 LYS HG3 H 1 1.481 0.000 . 1 . . . . A 5 LYS HG3 . 30397 1 57 . 1 . 1 5 5 LYS HD2 H 1 1.738 0.001 . 1 . . . . A 5 LYS HD2 . 30397 1 58 . 1 . 1 5 5 LYS HD3 H 1 1.738 0.001 . 1 . . . . A 5 LYS HD3 . 30397 1 59 . 1 . 1 5 5 LYS HE2 H 1 3.053 0.000 . 1 . . . . A 5 LYS HE2 . 30397 1 60 . 1 . 1 5 5 LYS HE3 H 1 3.053 0.000 . 1 . . . . A 5 LYS HE3 . 30397 1 61 . 1 . 1 5 5 LYS C C 13 176.612 0.000 . 1 . . . . A 5 LYS C . 30397 1 62 . 1 . 1 5 5 LYS CA C 13 56.401 0.032 . 1 . . . . A 5 LYS CA . 30397 1 63 . 1 . 1 5 5 LYS CB C 13 32.527 0.009 . 1 . . . . A 5 LYS CB . 30397 1 64 . 1 . 1 5 5 LYS CG C 13 24.629 0.001 . 1 . . . . A 5 LYS CG . 30397 1 65 . 1 . 1 5 5 LYS CD C 13 29.031 0.001 . 1 . . . . A 5 LYS CD . 30397 1 66 . 1 . 1 5 5 LYS CE C 13 42.318 0.002 . 1 . . . . A 5 LYS CE . 30397 1 67 . 1 . 1 5 5 LYS N N 15 120.812 0.015 . 1 . . . . A 5 LYS N . 30397 1 68 . 1 . 1 6 6 LYS H H 1 8.151 0.001 . 1 . . . . A 6 LYS H . 30397 1 69 . 1 . 1 6 6 LYS HA H 1 4.329 0.001 . 1 . . . . A 6 LYS HA . 30397 1 70 . 1 . 1 6 6 LYS HB2 H 1 1.839 0.000 . 1 . . . . A 6 LYS HB2 . 30397 1 71 . 1 . 1 6 6 LYS HB3 H 1 1.839 0.000 . 1 . . . . A 6 LYS HB3 . 30397 1 72 . 1 . 1 6 6 LYS HG2 H 1 1.480 0.000 . 1 . . . . A 6 LYS HG2 . 30397 1 73 . 1 . 1 6 6 LYS HG3 H 1 1.480 0.000 . 1 . . . . A 6 LYS HG3 . 30397 1 74 . 1 . 1 6 6 LYS HD2 H 1 1.738 0.000 . 1 . . . . A 6 LYS HD2 . 30397 1 75 . 1 . 1 6 6 LYS HD3 H 1 1.738 0.000 . 1 . . . . A 6 LYS HD3 . 30397 1 76 . 1 . 1 6 6 LYS HE2 H 1 3.053 0.000 . 1 . . . . A 6 LYS HE2 . 30397 1 77 . 1 . 1 6 6 LYS HE3 H 1 3.053 0.000 . 1 . . . . A 6 LYS HE3 . 30397 1 78 . 1 . 1 6 6 LYS C C 13 176.599 0.000 . 1 . . . . A 6 LYS C . 30397 1 79 . 1 . 1 6 6 LYS CA C 13 56.380 0.000 . 1 . . . . A 6 LYS CA . 30397 1 80 . 1 . 1 6 6 LYS CB C 13 32.537 0.004 . 1 . . . . A 6 LYS CB . 30397 1 81 . 1 . 1 6 6 LYS CG C 13 24.898 0.002 . 1 . . . . A 6 LYS CG . 30397 1 82 . 1 . 1 6 6 LYS CD C 13 29.292 0.002 . 1 . . . . A 6 LYS CD . 30397 1 83 . 1 . 1 6 6 LYS CE C 13 42.318 0.002 . 1 . . . . A 6 LYS CE . 30397 1 84 . 1 . 1 6 6 LYS N N 15 122.491 0.000 . 1 . . . . A 6 LYS N . 30397 1 85 . 1 . 1 7 7 LYS H H 1 8.152 0.001 . 1 . . . . A 7 LYS H . 30397 1 86 . 1 . 1 7 7 LYS HA H 1 4.392 0.001 . 1 . . . . A 7 LYS HA . 30397 1 87 . 1 . 1 7 7 LYS HB2 H 1 1.854 0.003 . 1 . . . . A 7 LYS HB2 . 30397 1 88 . 1 . 1 7 7 LYS HB3 H 1 1.854 0.003 . 1 . . . . A 7 LYS HB3 . 30397 1 89 . 1 . 1 7 7 LYS HG2 H 1 1.483 0.000 . 1 . . . . A 7 LYS HG2 . 30397 1 90 . 1 . 1 7 7 LYS HG3 H 1 1.483 0.000 . 1 . . . . A 7 LYS HG3 . 30397 1 91 . 1 . 1 7 7 LYS HD2 H 1 1.731 0.000 . 1 . . . . A 7 LYS HD2 . 30397 1 92 . 1 . 1 7 7 LYS HD3 H 1 1.731 0.000 . 1 . . . . A 7 LYS HD3 . 30397 1 93 . 1 . 1 7 7 LYS HE2 H 1 3.053 0.000 . 1 . . . . A 7 LYS HE2 . 30397 1 94 . 1 . 1 7 7 LYS HE3 H 1 3.053 0.000 . 1 . . . . A 7 LYS HE3 . 30397 1 95 . 1 . 1 7 7 LYS C C 13 176.582 0.000 . 1 . . . . A 7 LYS C . 30397 1 96 . 1 . 1 7 7 LYS CA C 13 56.497 0.000 . 1 . . . . A 7 LYS CA . 30397 1 97 . 1 . 1 7 7 LYS CB C 13 32.771 0.001 . 1 . . . . A 7 LYS CB . 30397 1 98 . 1 . 1 7 7 LYS CG C 13 24.571 0.001 . 1 . . . . A 7 LYS CG . 30397 1 99 . 1 . 1 7 7 LYS CD C 13 29.255 0.005 . 1 . . . . A 7 LYS CD . 30397 1 100 . 1 . 1 7 7 LYS CE C 13 42.440 0.002 . 1 . . . . A 7 LYS CE . 30397 1 101 . 1 . 1 7 7 LYS N N 15 122.495 0.002 . 1 . . . . A 7 LYS N . 30397 1 102 . 1 . 1 8 8 SER H H 1 8.348 0.001 . 1 . . . . A 8 SER H . 30397 1 103 . 1 . 1 8 8 SER HA H 1 4.535 0.005 . 1 . . . . A 8 SER HA . 30397 1 104 . 1 . 1 8 8 SER HB2 H 1 3.947 0.001 . 1 . . . . A 8 SER HB2 . 30397 1 105 . 1 . 1 8 8 SER HB3 H 1 3.947 0.001 . 1 . . . . A 8 SER HB3 . 30397 1 106 . 1 . 1 8 8 SER C C 13 174.940 0.000 . 1 . . . . A 8 SER C . 30397 1 107 . 1 . 1 8 8 SER CA C 13 58.394 0.011 . 1 . . . . A 8 SER CA . 30397 1 108 . 1 . 1 8 8 SER CB C 13 64.158 0.001 . 1 . . . . A 8 SER CB . 30397 1 109 . 1 . 1 8 8 SER N N 15 117.231 0.002 . 1 . . . . A 8 SER N . 30397 1 110 . 1 . 1 9 9 GLY H H 1 8.425 0.001 . 1 . . . . A 9 GLY H . 30397 1 111 . 1 . 1 9 9 GLY HA2 H 1 4.024 0.010 . 1 . . . . A 9 GLY HA2 . 30397 1 112 . 1 . 1 9 9 GLY HA3 H 1 4.026 0.010 . 1 . . . . A 9 GLY HA3 . 30397 1 113 . 1 . 1 9 9 GLY C C 13 174.494 0.000 . 1 . . . . A 9 GLY C . 30397 1 114 . 1 . 1 9 9 GLY CA C 13 45.348 0.123 . 1 . . . . A 9 GLY CA . 30397 1 115 . 1 . 1 9 9 GLY N N 15 110.803 0.002 . 1 . . . . A 9 GLY N . 30397 1 116 . 1 . 1 10 10 GLY H H 1 8.230 0.001 . 1 . . . . A 10 GLY H . 30397 1 117 . 1 . 1 10 10 GLY HA2 H 1 3.955 0.007 . 1 . . . . A 10 GLY HA2 . 30397 1 118 . 1 . 1 10 10 GLY HA3 H 1 3.955 0.006 . 1 . . . . A 10 GLY HA3 . 30397 1 119 . 1 . 1 10 10 GLY C C 13 173.838 0.000 . 1 . . . . A 10 GLY C . 30397 1 120 . 1 . 1 10 10 GLY CA C 13 45.334 0.112 . 1 . . . . A 10 GLY CA . 30397 1 121 . 1 . 1 10 10 GLY N N 15 108.573 0.003 . 1 . . . . A 10 GLY N . 30397 1 122 . 1 . 1 11 11 PHE H H 1 8.062 0.006 . 1 . . . . A 11 PHE H . 30397 1 123 . 1 . 1 11 11 PHE HA H 1 4.665 0.007 . 1 . . . . A 11 PHE HA . 30397 1 124 . 1 . 1 11 11 PHE HB2 H 1 3.124 0.002 . 1 . . . . A 11 PHE HB2 . 30397 1 125 . 1 . 1 11 11 PHE HB3 H 1 3.124 0.002 . 1 . . . . A 11 PHE HB3 . 30397 1 126 . 1 . 1 11 11 PHE C C 13 175.501 0.000 . 1 . . . . A 11 PHE C . 30397 1 127 . 1 . 1 11 11 PHE CA C 13 57.867 0.034 . 1 . . . . A 11 PHE CA . 30397 1 128 . 1 . 1 11 11 PHE CB C 13 39.902 0.002 . 1 . . . . A 11 PHE CB . 30397 1 129 . 1 . 1 11 11 PHE N N 15 120.054 0.029 . 1 . . . . A 11 PHE N . 30397 1 130 . 1 . 1 12 12 ARG H H 1 8.171 0.002 . 1 . . . . A 12 ARG H . 30397 1 131 . 1 . 1 12 12 ARG HA H 1 4.329 0.005 . 1 . . . . A 12 ARG HA . 30397 1 132 . 1 . 1 12 12 ARG HB2 H 1 1.815 0.001 . 1 . . . . A 12 ARG HB2 . 30397 1 133 . 1 . 1 12 12 ARG HB3 H 1 1.815 0.001 . 1 . . . . A 12 ARG HB3 . 30397 1 134 . 1 . 1 12 12 ARG HG2 H 1 1.738 0.001 . 1 . . . . A 12 ARG HG2 . 30397 1 135 . 1 . 1 12 12 ARG HG3 H 1 1.738 0.001 . 1 . . . . A 12 ARG HG3 . 30397 1 136 . 1 . 1 12 12 ARG HD2 H 1 3.217 0.001 . 1 . . . . A 12 ARG HD2 . 30397 1 137 . 1 . 1 12 12 ARG HD3 H 1 3.217 0.001 . 1 . . . . A 12 ARG HD3 . 30397 1 138 . 1 . 1 12 12 ARG C C 13 175.669 0.000 . 1 . . . . A 12 ARG C . 30397 1 139 . 1 . 1 12 12 ARG CA C 13 56.229 0.004 . 1 . . . . A 12 ARG CA . 30397 1 140 . 1 . 1 12 12 ARG CB C 13 31.067 0.000 . 1 . . . . A 12 ARG CB . 30397 1 141 . 1 . 1 12 12 ARG CG C 13 26.923 0.077 . 1 . . . . A 12 ARG CG . 30397 1 142 . 1 . 1 12 12 ARG CD C 13 43.640 0.000 . 1 . . . . A 12 ARG CD . 30397 1 143 . 1 . 1 12 12 ARG N N 15 123.059 0.186 . 1 . . . . A 12 ARG N . 30397 1 144 . 1 . 1 13 13 ILE H H 1 8.145 0.001 . 1 . . . . A 13 ILE H . 30397 1 145 . 1 . 1 13 13 ILE HA H 1 4.176 0.017 . 1 . . . . A 13 ILE HA . 30397 1 146 . 1 . 1 13 13 ILE HB H 1 1.904 0.007 . 1 . . . . A 13 ILE HB . 30397 1 147 . 1 . 1 13 13 ILE HG12 H 1 1.259 0.025 . 2 . . . . A 13 ILE HG12 . 30397 1 148 . 1 . 1 13 13 ILE HG13 H 1 1.538 0.004 . 2 . . . . A 13 ILE HG13 . 30397 1 149 . 1 . 1 13 13 ILE HG21 H 1 0.931 0.008 . 1 . . . . A 13 ILE HG21 . 30397 1 150 . 1 . 1 13 13 ILE HG22 H 1 0.931 0.008 . 1 . . . . A 13 ILE HG22 . 30397 1 151 . 1 . 1 13 13 ILE HG23 H 1 0.931 0.008 . 1 . . . . A 13 ILE HG23 . 30397 1 152 . 1 . 1 13 13 ILE HD11 H 1 0.878 0.015 . 1 . . . . A 13 ILE HD11 . 30397 1 153 . 1 . 1 13 13 ILE HD12 H 1 0.878 0.015 . 1 . . . . A 13 ILE HD12 . 30397 1 154 . 1 . 1 13 13 ILE HD13 H 1 0.878 0.015 . 1 . . . . A 13 ILE HD13 . 30397 1 155 . 1 . 1 13 13 ILE C C 13 176.222 0.000 . 1 . . . . A 13 ILE C . 30397 1 156 . 1 . 1 13 13 ILE CA C 13 61.325 0.022 . 1 . . . . A 13 ILE CA . 30397 1 157 . 1 . 1 13 13 ILE CB C 13 38.578 0.027 . 1 . . . . A 13 ILE CB . 30397 1 158 . 1 . 1 13 13 ILE CG1 C 13 28.021 0.141 . 1 . . . . A 13 ILE CG1 . 30397 1 159 . 1 . 1 13 13 ILE CG2 C 13 17.761 0.015 . 1 . . . . A 13 ILE CG2 . 30397 1 160 . 1 . 1 13 13 ILE CD1 C 13 13.385 0.017 . 1 . . . . A 13 ILE CD1 . 30397 1 161 . 1 . 1 13 13 ILE N N 15 122.502 0.000 . 1 . . . . A 13 ILE N . 30397 1 162 . 1 . 1 14 14 VAL H H 1 8.130 0.002 . 1 . . . . A 14 VAL H . 30397 1 163 . 1 . 1 14 14 VAL HA H 1 4.121 0.006 . 1 . . . . A 14 VAL HA . 30397 1 164 . 1 . 1 14 14 VAL HB H 1 2.108 0.001 . 1 . . . . A 14 VAL HB . 30397 1 165 . 1 . 1 14 14 VAL HG11 H 1 0.963 0.001 . 1 . . . . A 14 VAL HG11 . 30397 1 166 . 1 . 1 14 14 VAL HG12 H 1 0.963 0.001 . 1 . . . . A 14 VAL HG12 . 30397 1 167 . 1 . 1 14 14 VAL HG13 H 1 0.963 0.001 . 1 . . . . A 14 VAL HG13 . 30397 1 168 . 1 . 1 14 14 VAL HG21 H 1 0.963 0.001 . 1 . . . . A 14 VAL HG21 . 30397 1 169 . 1 . 1 14 14 VAL HG22 H 1 0.963 0.001 . 1 . . . . A 14 VAL HG22 . 30397 1 170 . 1 . 1 14 14 VAL HG23 H 1 0.963 0.001 . 1 . . . . A 14 VAL HG23 . 30397 1 171 . 1 . 1 14 14 VAL C C 13 175.738 0.000 . 1 . . . . A 14 VAL C . 30397 1 172 . 1 . 1 14 14 VAL CA C 13 62.568 0.072 . 1 . . . . A 14 VAL CA . 30397 1 173 . 1 . 1 14 14 VAL CB C 13 32.467 0.014 . 1 . . . . A 14 VAL CB . 30397 1 174 . 1 . 1 14 14 VAL CG1 C 13 20.769 0.001 . 1 . . . . A 14 VAL CG1 . 30397 1 175 . 1 . 1 14 14 VAL CG2 C 13 20.769 0.001 . 1 . . . . A 14 VAL CG2 . 30397 1 176 . 1 . 1 14 14 VAL N N 15 123.812 0.001 . 1 . . . . A 14 VAL N . 30397 1 177 . 1 . 1 15 15 ASN H H 1 8.387 0.013 . 1 . . . . A 15 ASN H . 30397 1 178 . 1 . 1 15 15 ASN HA H 1 4.743 0.015 . 1 . . . . A 15 ASN HA . 30397 1 179 . 1 . 1 15 15 ASN HB2 H 1 2.875 0.004 . 2 . . . . A 15 ASN HB2 . 30397 1 180 . 1 . 1 15 15 ASN HB3 H 1 2.817 0.047 . 2 . . . . A 15 ASN HB3 . 30397 1 181 . 1 . 1 15 15 ASN C C 13 175.269 0.000 . 1 . . . . A 15 ASN C . 30397 1 182 . 1 . 1 15 15 ASN CA C 13 53.375 0.086 . 1 . . . . A 15 ASN CA . 30397 1 183 . 1 . 1 15 15 ASN CB C 13 38.874 0.175 . 1 . . . . A 15 ASN CB . 30397 1 184 . 1 . 1 15 15 ASN N N 15 122.027 0.117 . 1 . . . . A 15 ASN N . 30397 1 185 . 1 . 1 16 16 MET H H 1 8.295 0.010 . 1 . . . . A 16 MET H . 30397 1 186 . 1 . 1 16 16 MET HA H 1 4.161 0.003 . 1 . . . . A 16 MET HA . 30397 1 187 . 1 . 1 16 16 MET HB2 H 1 2.211 0.006 . 1 . . . . A 16 MET HB2 . 30397 1 188 . 1 . 1 16 16 MET HB3 H 1 2.211 0.006 . 1 . . . . A 16 MET HB3 . 30397 1 189 . 1 . 1 16 16 MET HG2 H 1 2.647 0.001 . 1 . . . . A 16 MET HG2 . 30397 1 190 . 1 . 1 16 16 MET HG3 H 1 2.647 0.001 . 1 . . . . A 16 MET HG3 . 30397 1 191 . 1 . 1 16 16 MET HE1 H 1 2.180 0.005 . 1 . . . . A 16 MET HE1 . 30397 1 192 . 1 . 1 16 16 MET HE2 H 1 2.180 0.005 . 1 . . . . A 16 MET HE2 . 30397 1 193 . 1 . 1 16 16 MET HE3 H 1 2.180 0.005 . 1 . . . . A 16 MET HE3 . 30397 1 194 . 1 . 1 16 16 MET C C 13 176.205 0.000 . 1 . . . . A 16 MET C . 30397 1 195 . 1 . 1 16 16 MET CA C 13 56.024 0.105 . 1 . . . . A 16 MET CA . 30397 1 196 . 1 . 1 16 16 MET CB C 13 32.838 0.003 . 1 . . . . A 16 MET CB . 30397 1 197 . 1 . 1 16 16 MET CG C 13 31.017 0.117 . 1 . . . . A 16 MET CG . 30397 1 198 . 1 . 1 16 16 MET CE C 13 17.097 0.001 . 1 . . . . A 16 MET CE . 30397 1 199 . 1 . 1 16 16 MET N N 15 121.200 0.098 . 1 . . . . A 16 MET N . 30397 1 200 . 1 . 1 17 17 LEU H H 1 8.137 0.002 . 1 . . . . A 17 LEU H . 30397 1 201 . 1 . 1 17 17 LEU HA H 1 4.340 0.001 . 1 . . . . A 17 LEU HA . 30397 1 202 . 1 . 1 17 17 LEU HB2 H 1 1.732 0.016 . 1 . . . . A 17 LEU HB2 . 30397 1 203 . 1 . 1 17 17 LEU HB3 H 1 1.732 0.016 . 1 . . . . A 17 LEU HB3 . 30397 1 204 . 1 . 1 17 17 LEU HG H 1 1.610 0.003 . 1 . . . . A 17 LEU HG . 30397 1 205 . 1 . 1 17 17 LEU HD11 H 1 0.964 0.000 . 2 . . . . A 17 LEU HD11 . 30397 1 206 . 1 . 1 17 17 LEU HD12 H 1 0.964 0.000 . 2 . . . . A 17 LEU HD12 . 30397 1 207 . 1 . 1 17 17 LEU HD13 H 1 0.964 0.000 . 2 . . . . A 17 LEU HD13 . 30397 1 208 . 1 . 1 17 17 LEU HD21 H 1 0.909 0.001 . 2 . . . . A 17 LEU HD21 . 30397 1 209 . 1 . 1 17 17 LEU HD22 H 1 0.909 0.001 . 2 . . . . A 17 LEU HD22 . 30397 1 210 . 1 . 1 17 17 LEU HD23 H 1 0.909 0.001 . 2 . . . . A 17 LEU HD23 . 30397 1 211 . 1 . 1 17 17 LEU C C 13 177.353 0.000 . 1 . . . . A 17 LEU C . 30397 1 212 . 1 . 1 17 17 LEU CA C 13 55.437 0.002 . 1 . . . . A 17 LEU CA . 30397 1 213 . 1 . 1 17 17 LEU CB C 13 42.203 0.046 . 1 . . . . A 17 LEU CB . 30397 1 214 . 1 . 1 17 17 LEU CG C 13 27.091 0.066 . 1 . . . . A 17 LEU CG . 30397 1 215 . 1 . 1 17 17 LEU CD1 C 13 24.941 0.002 . 1 . . . . A 17 LEU CD1 . 30397 1 216 . 1 . 1 17 17 LEU CD2 C 13 24.941 0.002 . 1 . . . . A 17 LEU CD2 . 30397 1 217 . 1 . 1 17 17 LEU N N 15 122.490 0.000 . 1 . . . . A 17 LEU N . 30397 1 218 . 1 . 1 18 18 LYS H H 1 8.125 0.001 . 1 . . . . A 18 LYS H . 30397 1 219 . 1 . 1 18 18 LYS HA H 1 4.340 0.000 . 1 . . . . A 18 LYS HA . 30397 1 220 . 1 . 1 18 18 LYS HB2 H 1 1.847 0.000 . 1 . . . . A 18 LYS HB2 . 30397 1 221 . 1 . 1 18 18 LYS HB3 H 1 1.847 0.000 . 1 . . . . A 18 LYS HB3 . 30397 1 222 . 1 . 1 18 18 LYS HG2 H 1 1.483 0.000 . 1 . . . . A 18 LYS HG2 . 30397 1 223 . 1 . 1 18 18 LYS HG3 H 1 1.483 0.000 . 1 . . . . A 18 LYS HG3 . 30397 1 224 . 1 . 1 18 18 LYS HD2 H 1 1.605 0.004 . 1 . . . . A 18 LYS HD2 . 30397 1 225 . 1 . 1 18 18 LYS HD3 H 1 1.605 0.004 . 1 . . . . A 18 LYS HD3 . 30397 1 226 . 1 . 1 18 18 LYS HE2 H 1 3.052 0.000 . 1 . . . . A 18 LYS HE2 . 30397 1 227 . 1 . 1 18 18 LYS HE3 H 1 3.052 0.000 . 1 . . . . A 18 LYS HE3 . 30397 1 228 . 1 . 1 18 18 LYS C C 13 176.452 0.000 . 1 . . . . A 18 LYS C . 30397 1 229 . 1 . 1 18 18 LYS CA C 13 56.400 0.000 . 1 . . . . A 18 LYS CA . 30397 1 230 . 1 . 1 18 18 LYS CB C 13 32.640 0.000 . 1 . . . . A 18 LYS CB . 30397 1 231 . 1 . 1 18 18 LYS CG C 13 24.731 0.001 . 1 . . . . A 18 LYS CG . 30397 1 232 . 1 . 1 18 18 LYS CD C 13 29.110 0.113 . 1 . . . . A 18 LYS CD . 30397 1 233 . 1 . 1 18 18 LYS CE C 13 42.301 0.001 . 1 . . . . A 18 LYS CE . 30397 1 234 . 1 . 1 18 18 LYS N N 15 121.649 0.002 . 1 . . . . A 18 LYS N . 30397 1 235 . 1 . 1 19 19 ARG H H 1 8.239 0.010 . 1 . . . . A 19 ARG H . 30397 1 236 . 1 . 1 19 19 ARG HA H 1 4.384 0.002 . 1 . . . . A 19 ARG HA . 30397 1 237 . 1 . 1 19 19 ARG HB2 H 1 1.889 0.001 . 1 . . . . A 19 ARG HB2 . 30397 1 238 . 1 . 1 19 19 ARG HB3 H 1 1.889 0.001 . 1 . . . . A 19 ARG HB3 . 30397 1 239 . 1 . 1 19 19 ARG HG2 H 1 1.731 0.003 . 1 . . . . A 19 ARG HG2 . 30397 1 240 . 1 . 1 19 19 ARG HG3 H 1 1.731 0.003 . 1 . . . . A 19 ARG HG3 . 30397 1 241 . 1 . 1 19 19 ARG HD2 H 1 3.266 0.003 . 1 . . . . A 19 ARG HD2 . 30397 1 242 . 1 . 1 19 19 ARG HD3 H 1 3.266 0.003 . 1 . . . . A 19 ARG HD3 . 30397 1 243 . 1 . 1 19 19 ARG C C 13 176.766 0.000 . 1 . . . . A 19 ARG C . 30397 1 244 . 1 . 1 19 19 ARG CA C 13 56.435 0.002 . 1 . . . . A 19 ARG CA . 30397 1 245 . 1 . 1 19 19 ARG CB C 13 30.919 0.001 . 1 . . . . A 19 ARG CB . 30397 1 246 . 1 . 1 19 19 ARG CG C 13 28.258 0.009 . 1 . . . . A 19 ARG CG . 30397 1 247 . 1 . 1 19 19 ARG CD C 13 43.545 0.008 . 1 . . . . A 19 ARG CD . 30397 1 248 . 1 . 1 19 19 ARG N N 15 121.877 0.093 . 1 . . . . A 19 ARG N . 30397 1 249 . 1 . 1 20 20 GLY H H 1 8.386 0.001 . 1 . . . . A 20 GLY H . 30397 1 250 . 1 . 1 20 20 GLY HA2 H 1 4.030 0.011 . 1 . . . . A 20 GLY HA2 . 30397 1 251 . 1 . 1 20 20 GLY HA3 H 1 4.030 0.011 . 1 . . . . A 20 GLY HA3 . 30397 1 252 . 1 . 1 20 20 GLY C C 13 174.015 0.000 . 1 . . . . A 20 GLY C . 30397 1 253 . 1 . 1 20 20 GLY CA C 13 45.404 0.105 . 1 . . . . A 20 GLY CA . 30397 1 254 . 1 . 1 20 20 GLY N N 15 110.025 0.009 . 1 . . . . A 20 GLY N . 30397 1 255 . 1 . 1 21 21 VAL H H 1 7.907 0.002 . 1 . . . . A 21 VAL H . 30397 1 256 . 1 . 1 21 21 VAL HA H 1 4.184 0.013 . 1 . . . . A 21 VAL HA . 30397 1 257 . 1 . 1 21 21 VAL HB H 1 2.136 0.001 . 1 . . . . A 21 VAL HB . 30397 1 258 . 1 . 1 21 21 VAL HG11 H 1 0.968 0.001 . 1 . . . . A 21 VAL HG11 . 30397 1 259 . 1 . 1 21 21 VAL HG12 H 1 0.968 0.001 . 1 . . . . A 21 VAL HG12 . 30397 1 260 . 1 . 1 21 21 VAL HG13 H 1 0.968 0.001 . 1 . . . . A 21 VAL HG13 . 30397 1 261 . 1 . 1 21 21 VAL HG21 H 1 0.968 0.001 . 1 . . . . A 21 VAL HG21 . 30397 1 262 . 1 . 1 21 21 VAL HG22 H 1 0.968 0.001 . 1 . . . . A 21 VAL HG22 . 30397 1 263 . 1 . 1 21 21 VAL HG23 H 1 0.968 0.001 . 1 . . . . A 21 VAL HG23 . 30397 1 264 . 1 . 1 21 21 VAL C C 13 175.765 0.000 . 1 . . . . A 21 VAL C . 30397 1 265 . 1 . 1 21 21 VAL CA C 13 62.128 0.129 . 1 . . . . A 21 VAL CA . 30397 1 266 . 1 . 1 21 21 VAL CB C 13 32.605 0.005 . 1 . . . . A 21 VAL CB . 30397 1 267 . 1 . 1 21 21 VAL CG1 C 13 21.179 0.001 . 1 . . . . A 21 VAL CG1 . 30397 1 268 . 1 . 1 21 21 VAL CG2 C 13 21.179 0.001 . 1 . . . . A 21 VAL CG2 . 30397 1 269 . 1 . 1 21 21 VAL N N 15 118.963 0.028 . 1 . . . . A 21 VAL N . 30397 1 270 . 1 . 1 22 22 ALA H H 1 8.318 0.002 . 1 . . . . A 22 ALA H . 30397 1 271 . 1 . 1 22 22 ALA HA H 1 4.399 0.006 . 1 . . . . A 22 ALA HA . 30397 1 272 . 1 . 1 22 22 ALA HB1 H 1 1.436 0.002 . 1 . . . . A 22 ALA HB1 . 30397 1 273 . 1 . 1 22 22 ALA HB2 H 1 1.436 0.002 . 1 . . . . A 22 ALA HB2 . 30397 1 274 . 1 . 1 22 22 ALA HB3 H 1 1.436 0.002 . 1 . . . . A 22 ALA HB3 . 30397 1 275 . 1 . 1 22 22 ALA C C 13 177.387 0.000 . 1 . . . . A 22 ALA C . 30397 1 276 . 1 . 1 22 22 ALA CA C 13 52.516 0.055 . 1 . . . . A 22 ALA CA . 30397 1 277 . 1 . 1 22 22 ALA CB C 13 19.316 0.066 . 1 . . . . A 22 ALA CB . 30397 1 278 . 1 . 1 22 22 ALA N N 15 127.437 0.007 . 1 . . . . A 22 ALA N . 30397 1 279 . 1 . 1 23 23 ARG H H 1 8.256 0.002 . 1 . . . . A 23 ARG H . 30397 1 280 . 1 . 1 23 23 ARG HA H 1 4.389 0.006 . 1 . . . . A 23 ARG HA . 30397 1 281 . 1 . 1 23 23 ARG HB2 H 1 1.826 0.001 . 1 . . . . A 23 ARG HB2 . 30397 1 282 . 1 . 1 23 23 ARG HB3 H 1 1.826 0.001 . 1 . . . . A 23 ARG HB3 . 30397 1 283 . 1 . 1 23 23 ARG HG2 H 1 1.619 0.004 . 1 . . . . A 23 ARG HG2 . 30397 1 284 . 1 . 1 23 23 ARG HG3 H 1 1.618 0.004 . 1 . . . . A 23 ARG HG3 . 30397 1 285 . 1 . 1 23 23 ARG HD2 H 1 3.263 0.001 . 1 . . . . A 23 ARG HD2 . 30397 1 286 . 1 . 1 23 23 ARG HD3 H 1 3.263 0.001 . 1 . . . . A 23 ARG HD3 . 30397 1 287 . 1 . 1 23 23 ARG C C 13 176.081 0.000 . 1 . . . . A 23 ARG C . 30397 1 288 . 1 . 1 23 23 ARG CA C 13 56.082 0.009 . 1 . . . . A 23 ARG CA . 30397 1 289 . 1 . 1 23 23 ARG CB C 13 30.656 0.007 . 1 . . . . A 23 ARG CB . 30397 1 290 . 1 . 1 23 23 ARG CG C 13 27.109 0.075 . 1 . . . . A 23 ARG CG . 30397 1 291 . 1 . 1 23 23 ARG CD C 13 44.047 0.026 . 1 . . . . A 23 ARG CD . 30397 1 292 . 1 . 1 23 23 ARG N N 15 120.778 0.001 . 1 . . . . A 23 ARG N . 30397 1 293 . 1 . 1 24 24 VAL H H 1 8.124 0.007 . 1 . . . . A 24 VAL H . 30397 1 294 . 1 . 1 24 24 VAL HA H 1 4.216 0.005 . 1 . . . . A 24 VAL HA . 30397 1 295 . 1 . 1 24 24 VAL HB H 1 2.101 0.001 . 1 . . . . A 24 VAL HB . 30397 1 296 . 1 . 1 24 24 VAL HG11 H 1 0.963 0.000 . 1 . . . . A 24 VAL HG11 . 30397 1 297 . 1 . 1 24 24 VAL HG12 H 1 0.963 0.000 . 1 . . . . A 24 VAL HG12 . 30397 1 298 . 1 . 1 24 24 VAL HG13 H 1 0.963 0.000 . 1 . . . . A 24 VAL HG13 . 30397 1 299 . 1 . 1 24 24 VAL HG21 H 1 0.963 0.000 . 1 . . . . A 24 VAL HG21 . 30397 1 300 . 1 . 1 24 24 VAL HG22 H 1 0.963 0.000 . 1 . . . . A 24 VAL HG22 . 30397 1 301 . 1 . 1 24 24 VAL HG23 H 1 0.963 0.000 . 1 . . . . A 24 VAL HG23 . 30397 1 302 . 1 . 1 24 24 VAL C C 13 175.679 0.000 . 1 . . . . A 24 VAL C . 30397 1 303 . 1 . 1 24 24 VAL CA C 13 61.975 0.133 . 1 . . . . A 24 VAL CA . 30397 1 304 . 1 . 1 24 24 VAL CB C 13 32.853 0.003 . 1 . . . . A 24 VAL CB . 30397 1 305 . 1 . 1 24 24 VAL CG1 C 13 21.142 0.002 . 1 . . . . A 24 VAL CG1 . 30397 1 306 . 1 . 1 24 24 VAL CG2 C 13 21.142 0.002 . 1 . . . . A 24 VAL CG2 . 30397 1 307 . 1 . 1 24 24 VAL N N 15 121.120 0.063 . 1 . . . . A 24 VAL N . 30397 1 308 . 1 . 1 25 25 SER H H 1 8.427 0.004 . 1 . . . . A 25 SER H . 30397 1 309 . 1 . 1 25 25 SER HA H 1 4.831 0.002 . 1 . . . . A 25 SER HA . 30397 1 310 . 1 . 1 25 25 SER HB2 H 1 3.950 0.006 . 2 . . . . A 25 SER HB2 . 30397 1 311 . 1 . 1 25 25 SER HB3 H 1 3.885 0.014 . 2 . . . . A 25 SER HB3 . 30397 1 312 . 1 . 1 25 25 SER C C 13 173.495 0.000 . 1 . . . . A 25 SER C . 30397 1 313 . 1 . 1 25 25 SER CA C 13 55.967 0.017 . 1 . . . . A 25 SER CA . 30397 1 314 . 1 . 1 25 25 SER CB C 13 63.924 0.028 . 1 . . . . A 25 SER CB . 30397 1 315 . 1 . 1 25 25 SER N N 15 120.452 0.001 . 1 . . . . A 25 SER N . 30397 1 316 . 1 . 1 26 26 PRO HA H 1 4.458 0.005 . 1 . . . . A 26 PRO HA . 30397 1 317 . 1 . 1 26 26 PRO HB2 H 1 1.692 0.001 . 2 . . . . A 26 PRO HB2 . 30397 1 318 . 1 . 1 26 26 PRO HB3 H 1 2.227 0.012 . 2 . . . . A 26 PRO HB3 . 30397 1 319 . 1 . 1 26 26 PRO HG2 H 1 2.065 0.010 . 1 . . . . A 26 PRO HG2 . 30397 1 320 . 1 . 1 26 26 PRO HG3 H 1 2.026 0.048 . 1 . . . . A 26 PRO HG3 . 30397 1 321 . 1 . 1 26 26 PRO HD2 H 1 3.843 0.012 . 2 . . . . A 26 PRO HD2 . 30397 1 322 . 1 . 1 26 26 PRO HD3 H 1 3.803 0.003 . 2 . . . . A 26 PRO HD3 . 30397 1 323 . 1 . 1 26 26 PRO CA C 13 63.636 0.070 . 1 . . . . A 26 PRO CA . 30397 1 324 . 1 . 1 26 26 PRO CB C 13 31.882 0.095 . 1 . . . . A 26 PRO CB . 30397 1 325 . 1 . 1 26 26 PRO CG C 13 27.374 0.079 . 1 . . . . A 26 PRO CG . 30397 1 326 . 1 . 1 26 26 PRO CD C 13 50.789 0.020 . 1 . . . . A 26 PRO CD . 30397 1 327 . 1 . 1 27 27 PHE H H 1 8.073 0.001 . 1 . . . . A 27 PHE H . 30397 1 328 . 1 . 1 27 27 PHE HA H 1 4.648 0.010 . 1 . . . . A 27 PHE HA . 30397 1 329 . 1 . 1 27 27 PHE HB2 H 1 3.266 0.006 . 2 . . . . A 27 PHE HB2 . 30397 1 330 . 1 . 1 27 27 PHE HB3 H 1 3.060 0.002 . 2 . . . . A 27 PHE HB3 . 30397 1 331 . 1 . 1 27 27 PHE C C 13 176.368 0.000 . 1 . . . . A 27 PHE C . 30397 1 332 . 1 . 1 27 27 PHE CA C 13 57.958 0.003 . 1 . . . . A 27 PHE CA . 30397 1 333 . 1 . 1 27 27 PHE CB C 13 39.625 0.147 . 1 . . . . A 27 PHE CB . 30397 1 334 . 1 . 1 27 27 PHE N N 15 118.782 0.000 . 1 . . . . A 27 PHE N . 30397 1 335 . 1 . 1 28 28 GLY H H 1 8.182 0.001 . 1 . . . . A 28 GLY H . 30397 1 336 . 1 . 1 28 28 GLY HA2 H 1 3.950 0.006 . 1 . . . . A 28 GLY HA2 . 30397 1 337 . 1 . 1 28 28 GLY HA3 H 1 3.950 0.006 . 1 . . . . A 28 GLY HA3 . 30397 1 338 . 1 . 1 28 28 GLY C C 13 174.330 0.000 . 1 . . . . A 28 GLY C . 30397 1 339 . 1 . 1 28 28 GLY CA C 13 45.395 0.088 . 1 . . . . A 28 GLY CA . 30397 1 340 . 1 . 1 28 28 GLY N N 15 109.753 0.004 . 1 . . . . A 28 GLY N . 30397 1 341 . 1 . 1 29 29 GLY H H 1 7.928 0.003 . 1 . . . . A 29 GLY H . 30397 1 342 . 1 . 1 29 29 GLY HA2 H 1 3.845 0.004 . 1 . . . . A 29 GLY HA2 . 30397 1 343 . 1 . 1 29 29 GLY HA3 H 1 3.845 0.004 . 1 . . . . A 29 GLY HA3 . 30397 1 344 . 1 . 1 29 29 GLY C C 13 173.780 0.000 . 1 . . . . A 29 GLY C . 30397 1 345 . 1 . 1 29 29 GLY CA C 13 44.975 0.042 . 1 . . . . A 29 GLY CA . 30397 1 346 . 1 . 1 29 29 GLY N N 15 107.860 0.004 . 1 . . . . A 29 GLY N . 30397 1 347 . 1 . 1 30 30 LEU H H 1 7.968 0.001 . 1 . . . . A 30 LEU H . 30397 1 348 . 1 . 1 30 30 LEU HA H 1 4.362 0.001 . 1 . . . . A 30 LEU HA . 30397 1 349 . 1 . 1 30 30 LEU HB2 H 1 1.814 0.007 . 1 . . . . A 30 LEU HB2 . 30397 1 350 . 1 . 1 30 30 LEU HB3 H 1 1.814 0.007 . 1 . . . . A 30 LEU HB3 . 30397 1 351 . 1 . 1 30 30 LEU HG H 1 1.482 0.000 . 1 . . . . A 30 LEU HG . 30397 1 352 . 1 . 1 30 30 LEU HD11 H 1 0.967 0.000 . 2 . . . . A 30 LEU HD11 . 30397 1 353 . 1 . 1 30 30 LEU HD12 H 1 0.967 0.000 . 2 . . . . A 30 LEU HD12 . 30397 1 354 . 1 . 1 30 30 LEU HD13 H 1 0.967 0.000 . 2 . . . . A 30 LEU HD13 . 30397 1 355 . 1 . 1 30 30 LEU HD21 H 1 0.904 0.000 . 2 . . . . A 30 LEU HD21 . 30397 1 356 . 1 . 1 30 30 LEU HD22 H 1 0.904 0.000 . 2 . . . . A 30 LEU HD22 . 30397 1 357 . 1 . 1 30 30 LEU HD23 H 1 0.904 0.000 . 2 . . . . A 30 LEU HD23 . 30397 1 358 . 1 . 1 30 30 LEU C C 13 176.993 0.000 . 1 . . . . A 30 LEU C . 30397 1 359 . 1 . 1 30 30 LEU CA C 13 55.899 0.001 . 1 . . . . A 30 LEU CA . 30397 1 360 . 1 . 1 30 30 LEU CB C 13 42.943 0.055 . 1 . . . . A 30 LEU CB . 30397 1 361 . 1 . 1 30 30 LEU CG C 13 27.310 0.003 . 1 . . . . A 30 LEU CG . 30397 1 362 . 1 . 1 30 30 LEU CD1 C 13 24.691 0.001 . 1 . . . . A 30 LEU CD1 . 30397 1 363 . 1 . 1 30 30 LEU CD2 C 13 24.691 0.001 . 1 . . . . A 30 LEU CD2 . 30397 1 364 . 1 . 1 30 30 LEU N N 15 121.181 0.027 . 1 . . . . A 30 LEU N . 30397 1 365 . 1 . 1 31 31 LYS H H 1 8.674 0.010 . 1 . . . . A 31 LYS H . 30397 1 366 . 1 . 1 31 31 LYS HA H 1 4.330 0.009 . 1 . . . . A 31 LYS HA . 30397 1 367 . 1 . 1 31 31 LYS HB2 H 1 1.801 0.001 . 1 . . . . A 31 LYS HB2 . 30397 1 368 . 1 . 1 31 31 LYS HB3 H 1 1.801 0.001 . 1 . . . . A 31 LYS HB3 . 30397 1 369 . 1 . 1 31 31 LYS HG2 H 1 1.489 0.000 . 1 . . . . A 31 LYS HG2 . 30397 1 370 . 1 . 1 31 31 LYS HG3 H 1 1.489 0.000 . 1 . . . . A 31 LYS HG3 . 30397 1 371 . 1 . 1 31 31 LYS HD2 H 1 1.698 0.003 . 1 . . . . A 31 LYS HD2 . 30397 1 372 . 1 . 1 31 31 LYS HD3 H 1 1.698 0.003 . 1 . . . . A 31 LYS HD3 . 30397 1 373 . 1 . 1 31 31 LYS HE2 H 1 3.052 0.001 . 1 . . . . A 31 LYS HE2 . 30397 1 374 . 1 . 1 31 31 LYS HE3 H 1 3.052 0.001 . 1 . . . . A 31 LYS HE3 . 30397 1 375 . 1 . 1 31 31 LYS C C 13 176.201 0.000 . 1 . . . . A 31 LYS C . 30397 1 376 . 1 . 1 31 31 LYS CA C 13 57.057 0.068 . 1 . . . . A 31 LYS CA . 30397 1 377 . 1 . 1 31 31 LYS CB C 13 33.188 0.002 . 1 . . . . A 31 LYS CB . 30397 1 378 . 1 . 1 31 31 LYS CG C 13 24.988 0.002 . 1 . . . . A 31 LYS CG . 30397 1 379 . 1 . 1 31 31 LYS CD C 13 29.124 0.108 . 1 . . . . A 31 LYS CD . 30397 1 380 . 1 . 1 31 31 LYS CE C 13 41.791 0.001 . 1 . . . . A 31 LYS CE . 30397 1 381 . 1 . 1 31 31 LYS N N 15 122.645 0.009 . 1 . . . . A 31 LYS N . 30397 1 382 . 1 . 1 32 32 ARG H H 1 7.607 0.003 . 1 . . . . A 32 ARG H . 30397 1 383 . 1 . 1 32 32 ARG HA H 1 4.261 0.002 . 1 . . . . A 32 ARG HA . 30397 1 384 . 1 . 1 32 32 ARG HB2 H 1 1.729 0.017 . 1 . . . . A 32 ARG HB2 . 30397 1 385 . 1 . 1 32 32 ARG HB3 H 1 1.729 0.017 . 1 . . . . A 32 ARG HB3 . 30397 1 386 . 1 . 1 32 32 ARG HG2 H 1 1.446 0.001 . 1 . . . . A 32 ARG HG2 . 30397 1 387 . 1 . 1 32 32 ARG HG3 H 1 1.446 0.001 . 1 . . . . A 32 ARG HG3 . 30397 1 388 . 1 . 1 32 32 ARG HD2 H 1 3.041 0.001 . 1 . . . . A 32 ARG HD2 . 30397 1 389 . 1 . 1 32 32 ARG HD3 H 1 3.041 0.001 . 1 . . . . A 32 ARG HD3 . 30397 1 390 . 1 . 1 32 32 ARG C C 13 175.146 0.000 . 1 . . . . A 32 ARG C . 30397 1 391 . 1 . 1 32 32 ARG CA C 13 54.853 0.029 . 1 . . . . A 32 ARG CA . 30397 1 392 . 1 . 1 32 32 ARG CB C 13 32.196 0.022 . 1 . . . . A 32 ARG CB . 30397 1 393 . 1 . 1 32 32 ARG CG C 13 27.244 0.001 . 1 . . . . A 32 ARG CG . 30397 1 394 . 1 . 1 32 32 ARG CD C 13 42.412 0.002 . 1 . . . . A 32 ARG CD . 30397 1 395 . 1 . 1 32 32 ARG N N 15 116.258 0.001 . 1 . . . . A 32 ARG N . 30397 1 396 . 1 . 1 33 33 LEU H H 1 8.547 0.004 . 1 . . . . A 33 LEU H . 30397 1 397 . 1 . 1 33 33 LEU HA H 1 4.435 0.014 . 1 . . . . A 33 LEU HA . 30397 1 398 . 1 . 1 33 33 LEU HB2 H 1 1.795 0.010 . 1 . . . . A 33 LEU HB2 . 30397 1 399 . 1 . 1 33 33 LEU HB3 H 1 1.795 0.010 . 1 . . . . A 33 LEU HB3 . 30397 1 400 . 1 . 1 33 33 LEU HG H 1 1.333 0.000 . 1 . . . . A 33 LEU HG . 30397 1 401 . 1 . 1 33 33 LEU HD11 H 1 0.711 0.010 . 1 . . . . A 33 LEU HD11 . 30397 1 402 . 1 . 1 33 33 LEU HD12 H 1 0.711 0.010 . 1 . . . . A 33 LEU HD12 . 30397 1 403 . 1 . 1 33 33 LEU HD13 H 1 0.711 0.010 . 1 . . . . A 33 LEU HD13 . 30397 1 404 . 1 . 1 33 33 LEU HD21 H 1 0.707 0.013 . 1 . . . . A 33 LEU HD21 . 30397 1 405 . 1 . 1 33 33 LEU HD22 H 1 0.707 0.013 . 1 . . . . A 33 LEU HD22 . 30397 1 406 . 1 . 1 33 33 LEU HD23 H 1 0.707 0.013 . 1 . . . . A 33 LEU HD23 . 30397 1 407 . 1 . 1 33 33 LEU C C 13 176.501 0.000 . 1 . . . . A 33 LEU C . 30397 1 408 . 1 . 1 33 33 LEU CA C 13 53.537 0.159 . 1 . . . . A 33 LEU CA . 30397 1 409 . 1 . 1 33 33 LEU CB C 13 41.434 0.055 . 1 . . . . A 33 LEU CB . 30397 1 410 . 1 . 1 33 33 LEU CD1 C 13 25.233 0.194 . 1 . . . . A 33 LEU CD1 . 30397 1 411 . 1 . 1 33 33 LEU CD2 C 13 25.233 0.194 . 1 . . . . A 33 LEU CD2 . 30397 1 412 . 1 . 1 33 33 LEU N N 15 122.179 0.026 . 1 . . . . A 33 LEU N . 30397 1 413 . 1 . 1 34 34 PRO HA H 1 4.460 0.009 . 1 . . . . A 34 PRO HA . 30397 1 414 . 1 . 1 34 34 PRO HB2 H 1 2.342 0.006 . 1 . . . . A 34 PRO HB2 . 30397 1 415 . 1 . 1 34 34 PRO HB3 H 1 2.342 0.006 . 1 . . . . A 34 PRO HB3 . 30397 1 416 . 1 . 1 34 34 PRO HG2 H 1 2.046 0.043 . 1 . . . . A 34 PRO HG2 . 30397 1 417 . 1 . 1 34 34 PRO HG3 H 1 2.061 0.023 . 1 . . . . A 34 PRO HG3 . 30397 1 418 . 1 . 1 34 34 PRO HD2 H 1 3.832 0.040 . 2 . . . . A 34 PRO HD2 . 30397 1 419 . 1 . 1 34 34 PRO HD3 H 1 3.802 0.004 . 2 . . . . A 34 PRO HD3 . 30397 1 420 . 1 . 1 34 34 PRO C C 13 176.885 0.000 . 1 . . . . A 34 PRO C . 30397 1 421 . 1 . 1 34 34 PRO CA C 13 63.031 0.030 . 1 . . . . A 34 PRO CA . 30397 1 422 . 1 . 1 34 34 PRO CB C 13 31.675 0.232 . 1 . . . . A 34 PRO CB . 30397 1 423 . 1 . 1 34 34 PRO CG C 13 27.356 0.206 . 1 . . . . A 34 PRO CG . 30397 1 424 . 1 . 1 34 34 PRO CD C 13 50.800 0.071 . 1 . . . . A 34 PRO CD . 30397 1 425 . 1 . 1 35 35 ALA H H 1 8.590 0.001 . 1 . . . . A 35 ALA H . 30397 1 426 . 1 . 1 35 35 ALA HA H 1 4.180 0.016 . 1 . . . . A 35 ALA HA . 30397 1 427 . 1 . 1 35 35 ALA HB1 H 1 1.463 0.002 . 1 . . . . A 35 ALA HB1 . 30397 1 428 . 1 . 1 35 35 ALA HB2 H 1 1.463 0.002 . 1 . . . . A 35 ALA HB2 . 30397 1 429 . 1 . 1 35 35 ALA HB3 H 1 1.463 0.002 . 1 . . . . A 35 ALA HB3 . 30397 1 430 . 1 . 1 35 35 ALA C C 13 179.401 0.000 . 1 . . . . A 35 ALA C . 30397 1 431 . 1 . 1 35 35 ALA CA C 13 54.067 0.087 . 1 . . . . A 35 ALA CA . 30397 1 432 . 1 . 1 35 35 ALA CB C 13 18.495 0.000 . 1 . . . . A 35 ALA CB . 30397 1 433 . 1 . 1 35 35 ALA N N 15 127.067 0.019 . 1 . . . . A 35 ALA N . 30397 1 434 . 1 . 1 36 36 GLY H H 1 8.803 0.004 . 1 . . . . A 36 GLY H . 30397 1 435 . 1 . 1 36 36 GLY HA2 H 1 4.000 0.029 . 1 . . . . A 36 GLY HA2 . 30397 1 436 . 1 . 1 36 36 GLY HA3 H 1 3.999 0.028 . 1 . . . . A 36 GLY HA3 . 30397 1 437 . 1 . 1 36 36 GLY C C 13 174.428 0.000 . 1 . . . . A 36 GLY C . 30397 1 438 . 1 . 1 36 36 GLY CA C 13 46.280 0.127 . 1 . . . . A 36 GLY CA . 30397 1 439 . 1 . 1 36 36 GLY N N 15 109.230 0.039 . 1 . . . . A 36 GLY N . 30397 1 440 . 1 . 1 37 37 LEU H H 1 7.634 0.003 . 1 . . . . A 37 LEU H . 30397 1 441 . 1 . 1 37 37 LEU HA H 1 4.387 0.004 . 1 . . . . A 37 LEU HA . 30397 1 442 . 1 . 1 37 37 LEU HB2 H 1 1.854 0.000 . 1 . . . . A 37 LEU HB2 . 30397 1 443 . 1 . 1 37 37 LEU HB3 H 1 1.854 0.000 . 1 . . . . A 37 LEU HB3 . 30397 1 444 . 1 . 1 37 37 LEU HG H 1 1.549 0.001 . 1 . . . . A 37 LEU HG . 30397 1 445 . 1 . 1 37 37 LEU HD11 H 1 0.927 0.000 . 1 . . . . A 37 LEU HD11 . 30397 1 446 . 1 . 1 37 37 LEU HD12 H 1 0.927 0.000 . 1 . . . . A 37 LEU HD12 . 30397 1 447 . 1 . 1 37 37 LEU HD13 H 1 0.927 0.000 . 1 . . . . A 37 LEU HD13 . 30397 1 448 . 1 . 1 37 37 LEU HD21 H 1 0.927 0.000 . 1 . . . . A 37 LEU HD21 . 30397 1 449 . 1 . 1 37 37 LEU HD22 H 1 0.927 0.000 . 1 . . . . A 37 LEU HD22 . 30397 1 450 . 1 . 1 37 37 LEU HD23 H 1 0.927 0.000 . 1 . . . . A 37 LEU HD23 . 30397 1 451 . 1 . 1 37 37 LEU C C 13 179.692 0.000 . 1 . . . . A 37 LEU C . 30397 1 452 . 1 . 1 37 37 LEU CA C 13 58.371 0.005 . 1 . . . . A 37 LEU CA . 30397 1 453 . 1 . 1 37 37 LEU CB C 13 38.913 0.000 . 1 . . . . A 37 LEU CB . 30397 1 454 . 1 . 1 37 37 LEU CG C 13 27.316 0.005 . 1 . . . . A 37 LEU CG . 30397 1 455 . 1 . 1 37 37 LEU CD1 C 13 24.809 0.000 . 1 . . . . A 37 LEU CD1 . 30397 1 456 . 1 . 1 37 37 LEU CD2 C 13 24.809 0.000 . 1 . . . . A 37 LEU CD2 . 30397 1 457 . 1 . 1 37 37 LEU N N 15 112.750 0.065 . 1 . . . . A 37 LEU N . 30397 1 458 . 1 . 1 38 38 LEU H H 1 8.315 0.017 . 1 . . . . A 38 LEU H . 30397 1 459 . 1 . 1 38 38 LEU HA H 1 4.070 0.022 . 1 . . . . A 38 LEU HA . 30397 1 460 . 1 . 1 38 38 LEU HB2 H 1 1.644 0.032 . 1 . . . . A 38 LEU HB2 . 30397 1 461 . 1 . 1 38 38 LEU HB3 H 1 1.644 0.032 . 1 . . . . A 38 LEU HB3 . 30397 1 462 . 1 . 1 38 38 LEU HD11 H 1 0.942 0.001 . 1 . . . . A 38 LEU HD11 . 30397 1 463 . 1 . 1 38 38 LEU HD12 H 1 0.942 0.001 . 1 . . . . A 38 LEU HD12 . 30397 1 464 . 1 . 1 38 38 LEU HD13 H 1 0.942 0.001 . 1 . . . . A 38 LEU HD13 . 30397 1 465 . 1 . 1 38 38 LEU HD21 H 1 0.942 0.001 . 1 . . . . A 38 LEU HD21 . 30397 1 466 . 1 . 1 38 38 LEU HD22 H 1 0.942 0.001 . 1 . . . . A 38 LEU HD22 . 30397 1 467 . 1 . 1 38 38 LEU HD23 H 1 0.942 0.001 . 1 . . . . A 38 LEU HD23 . 30397 1 468 . 1 . 1 38 38 LEU C C 13 177.405 0.000 . 1 . . . . A 38 LEU C . 30397 1 469 . 1 . 1 38 38 LEU CA C 13 56.718 0.106 . 1 . . . . A 38 LEU CA . 30397 1 470 . 1 . 1 38 38 LEU CB C 13 41.643 0.125 . 1 . . . . A 38 LEU CB . 30397 1 471 . 1 . 1 38 38 LEU CD1 C 13 24.357 0.003 . 1 . . . . A 38 LEU CD1 . 30397 1 472 . 1 . 1 38 38 LEU CD2 C 13 24.358 0.003 . 1 . . . . A 38 LEU CD2 . 30397 1 473 . 1 . 1 38 38 LEU N N 15 114.580 0.046 . 1 . . . . A 38 LEU N . 30397 1 474 . 1 . 1 39 39 LEU H H 1 7.467 0.005 . 1 . . . . A 39 LEU H . 30397 1 475 . 1 . 1 39 39 LEU HA H 1 4.405 0.007 . 1 . . . . A 39 LEU HA . 30397 1 476 . 1 . 1 39 39 LEU HB2 H 1 1.674 0.013 . 1 . . . . A 39 LEU HB2 . 30397 1 477 . 1 . 1 39 39 LEU HB3 H 1 1.674 0.013 . 1 . . . . A 39 LEU HB3 . 30397 1 478 . 1 . 1 39 39 LEU HG H 1 1.541 0.010 . 1 . . . . A 39 LEU HG . 30397 1 479 . 1 . 1 39 39 LEU HD11 H 1 0.989 0.001 . 2 . . . . A 39 LEU HD11 . 30397 1 480 . 1 . 1 39 39 LEU HD12 H 1 0.989 0.001 . 2 . . . . A 39 LEU HD12 . 30397 1 481 . 1 . 1 39 39 LEU HD13 H 1 0.989 0.001 . 2 . . . . A 39 LEU HD13 . 30397 1 482 . 1 . 1 39 39 LEU HD21 H 1 0.922 0.005 . 2 . . . . A 39 LEU HD21 . 30397 1 483 . 1 . 1 39 39 LEU HD22 H 1 0.922 0.005 . 2 . . . . A 39 LEU HD22 . 30397 1 484 . 1 . 1 39 39 LEU HD23 H 1 0.922 0.005 . 2 . . . . A 39 LEU HD23 . 30397 1 485 . 1 . 1 39 39 LEU C C 13 176.324 0.000 . 1 . . . . A 39 LEU C . 30397 1 486 . 1 . 1 39 39 LEU CA C 13 54.296 0.205 . 1 . . . . A 39 LEU CA . 30397 1 487 . 1 . 1 39 39 LEU CB C 13 41.669 0.123 . 1 . . . . A 39 LEU CB . 30397 1 488 . 1 . 1 39 39 LEU CG C 13 27.442 0.000 . 1 . . . . A 39 LEU CG . 30397 1 489 . 1 . 1 39 39 LEU CD1 C 13 25.032 0.001 . 1 . . . . A 39 LEU CD1 . 30397 1 490 . 1 . 1 39 39 LEU CD2 C 13 25.032 0.001 . 1 . . . . A 39 LEU CD2 . 30397 1 491 . 1 . 1 39 39 LEU N N 15 118.030 0.046 . 1 . . . . A 39 LEU N . 30397 1 492 . 1 . 1 40 40 GLY H H 1 7.980 0.006 . 1 . . . . A 40 GLY H . 30397 1 493 . 1 . 1 40 40 GLY HA2 H 1 3.763 0.027 . 1 . . . . A 40 GLY HA2 . 30397 1 494 . 1 . 1 40 40 GLY HA3 H 1 3.763 0.027 . 1 . . . . A 40 GLY HA3 . 30397 1 495 . 1 . 1 40 40 GLY C C 13 172.679 0.000 . 1 . . . . A 40 GLY C . 30397 1 496 . 1 . 1 40 40 GLY CA C 13 45.288 0.000 . 1 . . . . A 40 GLY CA . 30397 1 497 . 1 . 1 40 40 GLY N N 15 105.043 0.044 . 1 . . . . A 40 GLY N . 30397 1 498 . 1 . 1 41 41 HIS H H 1 7.914 0.004 . 1 . . . . A 41 HIS H . 30397 1 499 . 1 . 1 41 41 HIS HA H 1 4.845 0.011 . 1 . . . . A 41 HIS HA . 30397 1 500 . 1 . 1 41 41 HIS HB2 H 1 3.098 0.013 . 2 . . . . A 41 HIS HB2 . 30397 1 501 . 1 . 1 41 41 HIS HB3 H 1 2.863 0.011 . 2 . . . . A 41 HIS HB3 . 30397 1 502 . 1 . 1 41 41 HIS HD2 H 1 6.837 0.005 . 1 . . . . A 41 HIS HD2 . 30397 1 503 . 1 . 1 41 41 HIS HE1 H 1 8.190 0.001 . 1 . . . . A 41 HIS HE1 . 30397 1 504 . 1 . 1 41 41 HIS C C 13 174.222 0.000 . 1 . . . . A 41 HIS C . 30397 1 505 . 1 . 1 41 41 HIS CA C 13 54.622 0.064 . 1 . . . . A 41 HIS CA . 30397 1 506 . 1 . 1 41 41 HIS CB C 13 30.760 0.074 . 1 . . . . A 41 HIS CB . 30397 1 507 . 1 . 1 41 41 HIS CD2 C 13 118.368 0.003 . 1 . . . . A 41 HIS CD2 . 30397 1 508 . 1 . 1 41 41 HIS CE1 C 13 137.921 0.010 . 1 . . . . A 41 HIS CE1 . 30397 1 509 . 1 . 1 41 41 HIS N N 15 120.102 0.039 . 1 . . . . A 41 HIS N . 30397 1 510 . 1 . 1 42 42 GLY H H 1 8.569 0.004 . 1 . . . . A 42 GLY H . 30397 1 511 . 1 . 1 42 42 GLY HA2 H 1 3.929 0.020 . 1 . . . . A 42 GLY HA2 . 30397 1 512 . 1 . 1 42 42 GLY HA3 H 1 3.929 0.020 . 1 . . . . A 42 GLY HA3 . 30397 1 513 . 1 . 1 42 42 GLY CA C 13 43.800 0.000 . 1 . . . . A 42 GLY CA . 30397 1 514 . 1 . 1 42 42 GLY N N 15 109.143 0.042 . 1 . . . . A 42 GLY N . 30397 1 515 . 1 . 1 43 43 PRO HA H 1 3.911 0.013 . 1 . . . . A 43 PRO HA . 30397 1 516 . 1 . 1 43 43 PRO HB2 H 1 1.887 0.014 . 1 . . . . A 43 PRO HB2 . 30397 1 517 . 1 . 1 43 43 PRO HB3 H 1 1.882 0.003 . 1 . . . . A 43 PRO HB3 . 30397 1 518 . 1 . 1 43 43 PRO HG2 H 1 1.715 0.009 . 1 . . . . A 43 PRO HG2 . 30397 1 519 . 1 . 1 43 43 PRO HG3 H 1 1.715 0.009 . 1 . . . . A 43 PRO HG3 . 30397 1 520 . 1 . 1 43 43 PRO C C 13 179.489 0.000 . 1 . . . . A 43 PRO C . 30397 1 521 . 1 . 1 43 43 PRO CA C 13 61.211 0.096 . 1 . . . . A 43 PRO CA . 30397 1 522 . 1 . 1 43 43 PRO CB C 13 31.630 0.001 . 1 . . . . A 43 PRO CB . 30397 1 523 . 1 . 1 43 43 PRO CG C 13 27.204 0.001 . 1 . . . . A 43 PRO CG . 30397 1 524 . 1 . 1 44 44 ILE H H 1 7.347 0.010 . 1 . . . . A 44 ILE H . 30397 1 525 . 1 . 1 44 44 ILE HA H 1 4.124 0.009 . 1 . . . . A 44 ILE HA . 30397 1 526 . 1 . 1 44 44 ILE HB H 1 1.397 0.010 . 1 . . . . A 44 ILE HB . 30397 1 527 . 1 . 1 44 44 ILE HG12 H 1 1.593 0.006 . 1 . . . . A 44 ILE HG12 . 30397 1 528 . 1 . 1 44 44 ILE HG13 H 1 1.593 0.006 . 1 . . . . A 44 ILE HG13 . 30397 1 529 . 1 . 1 44 44 ILE HG21 H 1 0.892 0.011 . 1 . . . . A 44 ILE HG21 . 30397 1 530 . 1 . 1 44 44 ILE HG22 H 1 0.892 0.011 . 1 . . . . A 44 ILE HG22 . 30397 1 531 . 1 . 1 44 44 ILE HG23 H 1 0.892 0.011 . 1 . . . . A 44 ILE HG23 . 30397 1 532 . 1 . 1 44 44 ILE HD11 H 1 0.769 0.009 . 1 . . . . A 44 ILE HD11 . 30397 1 533 . 1 . 1 44 44 ILE HD12 H 1 0.769 0.009 . 1 . . . . A 44 ILE HD12 . 30397 1 534 . 1 . 1 44 44 ILE HD13 H 1 0.769 0.009 . 1 . . . . A 44 ILE HD13 . 30397 1 535 . 1 . 1 44 44 ILE C C 13 179.116 0.000 . 1 . . . . A 44 ILE C . 30397 1 536 . 1 . 1 44 44 ILE CA C 13 60.147 0.106 . 1 . . . . A 44 ILE CA . 30397 1 537 . 1 . 1 44 44 ILE CB C 13 39.583 0.074 . 1 . . . . A 44 ILE CB . 30397 1 538 . 1 . 1 44 44 ILE CG1 C 13 28.293 0.066 . 1 . . . . A 44 ILE CG1 . 30397 1 539 . 1 . 1 44 44 ILE CG2 C 13 18.837 0.055 . 1 . . . . A 44 ILE CG2 . 30397 1 540 . 1 . 1 44 44 ILE CD1 C 13 12.924 0.034 . 1 . . . . A 44 ILE CD1 . 30397 1 541 . 1 . 1 44 44 ILE N N 15 122.018 0.043 . 1 . . . . A 44 ILE N . 30397 1 542 . 1 . 1 45 45 ARG H H 1 8.072 0.008 . 1 . . . . A 45 ARG H . 30397 1 543 . 1 . 1 45 45 ARG HA H 1 4.417 0.005 . 1 . . . . A 45 ARG HA . 30397 1 544 . 1 . 1 45 45 ARG HB2 H 1 1.892 0.011 . 1 . . . . A 45 ARG HB2 . 30397 1 545 . 1 . 1 45 45 ARG HB3 H 1 1.892 0.011 . 1 . . . . A 45 ARG HB3 . 30397 1 546 . 1 . 1 45 45 ARG HG2 H 1 1.482 0.002 . 1 . . . . A 45 ARG HG2 . 30397 1 547 . 1 . 1 45 45 ARG HG3 H 1 1.482 0.002 . 1 . . . . A 45 ARG HG3 . 30397 1 548 . 1 . 1 45 45 ARG HD2 H 1 3.265 0.001 . 1 . . . . A 45 ARG HD2 . 30397 1 549 . 1 . 1 45 45 ARG HD3 H 1 3.265 0.001 . 1 . . . . A 45 ARG HD3 . 30397 1 550 . 1 . 1 45 45 ARG C C 13 178.980 0.000 . 1 . . . . A 45 ARG C . 30397 1 551 . 1 . 1 45 45 ARG CA C 13 56.435 0.002 . 1 . . . . A 45 ARG CA . 30397 1 552 . 1 . 1 45 45 ARG CB C 13 32.354 0.082 . 1 . . . . A 45 ARG CB . 30397 1 553 . 1 . 1 45 45 ARG CG C 13 26.854 0.004 . 1 . . . . A 45 ARG CG . 30397 1 554 . 1 . 1 45 45 ARG CD C 13 43.031 0.000 . 1 . . . . A 45 ARG CD . 30397 1 555 . 1 . 1 45 45 ARG N N 15 120.088 0.024 . 1 . . . . A 45 ARG N . 30397 1 556 . 1 . 1 46 46 MET H H 1 8.479 0.009 . 1 . . . . A 46 MET H . 30397 1 557 . 1 . 1 46 46 MET HA H 1 3.965 0.019 . 1 . . . . A 46 MET HA . 30397 1 558 . 1 . 1 46 46 MET HB2 H 1 2.125 0.009 . 1 . . . . A 46 MET HB2 . 30397 1 559 . 1 . 1 46 46 MET HB3 H 1 2.125 0.009 . 1 . . . . A 46 MET HB3 . 30397 1 560 . 1 . 1 46 46 MET HG2 H 1 2.567 0.035 . 2 . . . . A 46 MET HG2 . 30397 1 561 . 1 . 1 46 46 MET HG3 H 1 2.644 0.019 . 2 . . . . A 46 MET HG3 . 30397 1 562 . 1 . 1 46 46 MET HE1 H 1 2.134 0.004 . 1 . . . . A 46 MET HE1 . 30397 1 563 . 1 . 1 46 46 MET HE2 H 1 2.134 0.004 . 1 . . . . A 46 MET HE2 . 30397 1 564 . 1 . 1 46 46 MET HE3 H 1 2.134 0.004 . 1 . . . . A 46 MET HE3 . 30397 1 565 . 1 . 1 46 46 MET C C 13 179.650 0.000 . 1 . . . . A 46 MET C . 30397 1 566 . 1 . 1 46 46 MET CA C 13 61.307 0.003 . 1 . . . . A 46 MET CA . 30397 1 567 . 1 . 1 46 46 MET CB C 13 32.196 0.005 . 1 . . . . A 46 MET CB . 30397 1 568 . 1 . 1 46 46 MET CG C 13 32.237 0.160 . 1 . . . . A 46 MET CG . 30397 1 569 . 1 . 1 46 46 MET CE C 13 16.769 0.037 . 1 . . . . A 46 MET CE . 30397 1 570 . 1 . 1 46 46 MET N N 15 119.334 0.034 . 1 . . . . A 46 MET N . 30397 1 571 . 1 . 1 47 47 VAL H H 1 7.689 0.007 . 1 . . . . A 47 VAL H . 30397 1 572 . 1 . 1 47 47 VAL HA H 1 4.264 0.017 . 1 . . . . A 47 VAL HA . 30397 1 573 . 1 . 1 47 47 VAL HB H 1 1.822 0.003 . 1 . . . . A 47 VAL HB . 30397 1 574 . 1 . 1 47 47 VAL HG11 H 1 1.077 0.008 . 1 . . . . A 47 VAL HG11 . 30397 1 575 . 1 . 1 47 47 VAL HG12 H 1 1.077 0.008 . 1 . . . . A 47 VAL HG12 . 30397 1 576 . 1 . 1 47 47 VAL HG13 H 1 1.077 0.008 . 1 . . . . A 47 VAL HG13 . 30397 1 577 . 1 . 1 47 47 VAL HG21 H 1 1.077 0.008 . 1 . . . . A 47 VAL HG21 . 30397 1 578 . 1 . 1 47 47 VAL HG22 H 1 1.077 0.008 . 1 . . . . A 47 VAL HG22 . 30397 1 579 . 1 . 1 47 47 VAL HG23 H 1 1.077 0.008 . 1 . . . . A 47 VAL HG23 . 30397 1 580 . 1 . 1 47 47 VAL C C 13 179.971 0.000 . 1 . . . . A 47 VAL C . 30397 1 581 . 1 . 1 47 47 VAL CA C 13 59.772 0.043 . 1 . . . . A 47 VAL CA . 30397 1 582 . 1 . 1 47 47 VAL CB C 13 31.858 0.019 . 1 . . . . A 47 VAL CB . 30397 1 583 . 1 . 1 47 47 VAL CG1 C 13 19.630 0.068 . 1 . . . . A 47 VAL CG1 . 30397 1 584 . 1 . 1 47 47 VAL CG2 C 13 19.615 0.069 . 1 . . . . A 47 VAL CG2 . 30397 1 585 . 1 . 1 47 47 VAL N N 15 121.056 0.049 . 1 . . . . A 47 VAL N . 30397 1 586 . 1 . 1 48 48 LEU H H 1 8.541 0.004 . 1 . . . . A 48 LEU H . 30397 1 587 . 1 . 1 48 48 LEU HA H 1 4.389 0.012 . 1 . . . . A 48 LEU HA . 30397 1 588 . 1 . 1 48 48 LEU HB2 H 1 1.823 0.005 . 1 . . . . A 48 LEU HB2 . 30397 1 589 . 1 . 1 48 48 LEU HB3 H 1 1.823 0.005 . 1 . . . . A 48 LEU HB3 . 30397 1 590 . 1 . 1 48 48 LEU HG H 1 1.567 0.006 . 1 . . . . A 48 LEU HG . 30397 1 591 . 1 . 1 48 48 LEU HD11 H 1 1.247 0.001 . 1 . . . . A 48 LEU HD11 . 30397 1 592 . 1 . 1 48 48 LEU HD12 H 1 1.247 0.001 . 1 . . . . A 48 LEU HD12 . 30397 1 593 . 1 . 1 48 48 LEU HD13 H 1 1.247 0.001 . 1 . . . . A 48 LEU HD13 . 30397 1 594 . 1 . 1 48 48 LEU HD21 H 1 1.247 0.001 . 1 . . . . A 48 LEU HD21 . 30397 1 595 . 1 . 1 48 48 LEU HD22 H 1 1.247 0.001 . 1 . . . . A 48 LEU HD22 . 30397 1 596 . 1 . 1 48 48 LEU HD23 H 1 1.247 0.001 . 1 . . . . A 48 LEU HD23 . 30397 1 597 . 1 . 1 48 48 LEU C C 13 178.600 0.000 . 1 . . . . A 48 LEU C . 30397 1 598 . 1 . 1 48 48 LEU CA C 13 58.380 0.010 . 1 . . . . A 48 LEU CA . 30397 1 599 . 1 . 1 48 48 LEU CB C 13 40.698 0.103 . 1 . . . . A 48 LEU CB . 30397 1 600 . 1 . 1 48 48 LEU CG C 13 27.980 0.000 . 1 . . . . A 48 LEU CG . 30397 1 601 . 1 . 1 48 48 LEU CD1 C 13 24.920 0.000 . 1 . . . . A 48 LEU CD1 . 30397 1 602 . 1 . 1 48 48 LEU CD2 C 13 24.920 0.000 . 1 . . . . A 48 LEU CD2 . 30397 1 603 . 1 . 1 48 48 LEU N N 15 123.214 0.014 . 1 . . . . A 48 LEU N . 30397 1 604 . 1 . 1 49 49 ALA H H 1 8.187 0.017 . 1 . . . . A 49 ALA H . 30397 1 605 . 1 . 1 49 49 ALA HA H 1 4.135 0.013 . 1 . . . . A 49 ALA HA . 30397 1 606 . 1 . 1 49 49 ALA HB1 H 1 1.631 0.013 . 1 . . . . A 49 ALA HB1 . 30397 1 607 . 1 . 1 49 49 ALA HB2 H 1 1.631 0.013 . 1 . . . . A 49 ALA HB2 . 30397 1 608 . 1 . 1 49 49 ALA HB3 H 1 1.631 0.013 . 1 . . . . A 49 ALA HB3 . 30397 1 609 . 1 . 1 49 49 ALA C C 13 179.649 0.000 . 1 . . . . A 49 ALA C . 30397 1 610 . 1 . 1 49 49 ALA CA C 13 55.764 0.161 . 1 . . . . A 49 ALA CA . 30397 1 611 . 1 . 1 49 49 ALA CB C 13 20.046 0.005 . 1 . . . . A 49 ALA CB . 30397 1 612 . 1 . 1 49 49 ALA N N 15 120.736 0.045 . 1 . . . . A 49 ALA N . 30397 1 613 . 1 . 1 50 50 ILE H H 1 8.679 0.010 . 1 . . . . A 50 ILE H . 30397 1 614 . 1 . 1 50 50 ILE HA H 1 4.146 0.022 . 1 . . . . A 50 ILE HA . 30397 1 615 . 1 . 1 50 50 ILE HB H 1 1.869 0.029 . 1 . . . . A 50 ILE HB . 30397 1 616 . 1 . 1 50 50 ILE HG12 H 1 1.337 0.000 . 1 . . . . A 50 ILE HG12 . 30397 1 617 . 1 . 1 50 50 ILE HG13 H 1 1.337 0.000 . 1 . . . . A 50 ILE HG13 . 30397 1 618 . 1 . 1 50 50 ILE HG21 H 1 1.076 0.006 . 1 . . . . A 50 ILE HG21 . 30397 1 619 . 1 . 1 50 50 ILE HG22 H 1 1.076 0.006 . 1 . . . . A 50 ILE HG22 . 30397 1 620 . 1 . 1 50 50 ILE HG23 H 1 1.076 0.006 . 1 . . . . A 50 ILE HG23 . 30397 1 621 . 1 . 1 50 50 ILE HD11 H 1 0.059 0.005 . 1 . . . . A 50 ILE HD11 . 30397 1 622 . 1 . 1 50 50 ILE HD12 H 1 0.059 0.005 . 1 . . . . A 50 ILE HD12 . 30397 1 623 . 1 . 1 50 50 ILE HD13 H 1 0.059 0.005 . 1 . . . . A 50 ILE HD13 . 30397 1 624 . 1 . 1 50 50 ILE C C 13 177.044 0.000 . 1 . . . . A 50 ILE C . 30397 1 625 . 1 . 1 50 50 ILE CA C 13 60.577 0.155 . 1 . . . . A 50 ILE CA . 30397 1 626 . 1 . 1 50 50 ILE CB C 13 37.480 0.000 . 1 . . . . A 50 ILE CB . 30397 1 627 . 1 . 1 50 50 ILE CG2 C 13 19.576 0.051 . 1 . . . . A 50 ILE CG2 . 30397 1 628 . 1 . 1 50 50 ILE CD1 C 13 13.452 0.025 . 1 . . . . A 50 ILE CD1 . 30397 1 629 . 1 . 1 50 50 ILE N N 15 120.251 0.031 . 1 . . . . A 50 ILE N . 30397 1 630 . 1 . 1 51 51 LEU H H 1 8.187 0.009 . 1 . . . . A 51 LEU H . 30397 1 631 . 1 . 1 51 51 LEU HA H 1 3.963 0.015 . 1 . . . . A 51 LEU HA . 30397 1 632 . 1 . 1 51 51 LEU HB2 H 1 1.797 0.011 . 1 . . . . A 51 LEU HB2 . 30397 1 633 . 1 . 1 51 51 LEU HB3 H 1 1.797 0.011 . 1 . . . . A 51 LEU HB3 . 30397 1 634 . 1 . 1 51 51 LEU HG H 1 1.478 0.002 . 1 . . . . A 51 LEU HG . 30397 1 635 . 1 . 1 51 51 LEU HD11 H 1 0.804 0.011 . 1 . . . . A 51 LEU HD11 . 30397 1 636 . 1 . 1 51 51 LEU HD12 H 1 0.804 0.011 . 1 . . . . A 51 LEU HD12 . 30397 1 637 . 1 . 1 51 51 LEU HD13 H 1 0.804 0.011 . 1 . . . . A 51 LEU HD13 . 30397 1 638 . 1 . 1 51 51 LEU HD21 H 1 0.453 0.013 . 1 . . . . A 51 LEU HD21 . 30397 1 639 . 1 . 1 51 51 LEU HD22 H 1 0.453 0.013 . 1 . . . . A 51 LEU HD22 . 30397 1 640 . 1 . 1 51 51 LEU HD23 H 1 0.453 0.013 . 1 . . . . A 51 LEU HD23 . 30397 1 641 . 1 . 1 51 51 LEU C C 13 178.877 0.000 . 1 . . . . A 51 LEU C . 30397 1 642 . 1 . 1 51 51 LEU CA C 13 58.323 0.099 . 1 . . . . A 51 LEU CA . 30397 1 643 . 1 . 1 51 51 LEU CB C 13 41.794 0.027 . 1 . . . . A 51 LEU CB . 30397 1 644 . 1 . 1 51 51 LEU CG C 13 27.371 0.002 . 1 . . . . A 51 LEU CG . 30397 1 645 . 1 . 1 51 51 LEU CD1 C 13 25.007 0.000 . 1 . . . . A 51 LEU CD1 . 30397 1 646 . 1 . 1 51 51 LEU CD2 C 13 24.941 0.118 . 1 . . . . A 51 LEU CD2 . 30397 1 647 . 1 . 1 51 51 LEU N N 15 125.189 0.047 . 1 . . . . A 51 LEU N . 30397 1 648 . 1 . 1 52 52 ALA H H 1 8.105 0.005 . 1 . . . . A 52 ALA H . 30397 1 649 . 1 . 1 52 52 ALA HA H 1 3.619 0.020 . 1 . . . . A 52 ALA HA . 30397 1 650 . 1 . 1 52 52 ALA HB1 H 1 1.231 0.004 . 1 . . . . A 52 ALA HB1 . 30397 1 651 . 1 . 1 52 52 ALA HB2 H 1 1.231 0.004 . 1 . . . . A 52 ALA HB2 . 30397 1 652 . 1 . 1 52 52 ALA HB3 H 1 1.231 0.004 . 1 . . . . A 52 ALA HB3 . 30397 1 653 . 1 . 1 52 52 ALA C C 13 176.404 0.000 . 1 . . . . A 52 ALA C . 30397 1 654 . 1 . 1 52 52 ALA CA C 13 55.413 0.052 . 1 . . . . A 52 ALA CA . 30397 1 655 . 1 . 1 52 52 ALA CB C 13 17.688 0.019 . 1 . . . . A 52 ALA CB . 30397 1 656 . 1 . 1 52 52 ALA N N 15 121.842 0.066 . 1 . . . . A 52 ALA N . 30397 1 657 . 1 . 1 53 53 PHE H H 1 7.878 0.008 . 1 . . . . A 53 PHE H . 30397 1 658 . 1 . 1 53 53 PHE HA H 1 4.402 0.022 . 1 . . . . A 53 PHE HA . 30397 1 659 . 1 . 1 53 53 PHE HB2 H 1 2.854 0.002 . 1 . . . . A 53 PHE HB2 . 30397 1 660 . 1 . 1 53 53 PHE HB3 H 1 2.854 0.002 . 1 . . . . A 53 PHE HB3 . 30397 1 661 . 1 . 1 53 53 PHE C C 13 177.041 0.000 . 1 . . . . A 53 PHE C . 30397 1 662 . 1 . 1 53 53 PHE CA C 13 62.049 0.120 . 1 . . . . A 53 PHE CA . 30397 1 663 . 1 . 1 53 53 PHE CB C 13 39.500 0.001 . 1 . . . . A 53 PHE CB . 30397 1 664 . 1 . 1 53 53 PHE N N 15 115.933 0.029 . 1 . . . . A 53 PHE N . 30397 1 665 . 1 . 1 54 54 LEU H H 1 8.294 0.011 . 1 . . . . A 54 LEU H . 30397 1 666 . 1 . 1 54 54 LEU HA H 1 4.194 0.013 . 1 . . . . A 54 LEU HA . 30397 1 667 . 1 . 1 54 54 LEU HB2 H 1 1.884 0.000 . 1 . . . . A 54 LEU HB2 . 30397 1 668 . 1 . 1 54 54 LEU HB3 H 1 1.884 0.000 . 1 . . . . A 54 LEU HB3 . 30397 1 669 . 1 . 1 54 54 LEU HG H 1 1.645 0.001 . 1 . . . . A 54 LEU HG . 30397 1 670 . 1 . 1 54 54 LEU HD11 H 1 1.438 0.003 . 1 . . . . A 54 LEU HD11 . 30397 1 671 . 1 . 1 54 54 LEU HD12 H 1 1.438 0.003 . 1 . . . . A 54 LEU HD12 . 30397 1 672 . 1 . 1 54 54 LEU HD13 H 1 1.438 0.003 . 1 . . . . A 54 LEU HD13 . 30397 1 673 . 1 . 1 54 54 LEU HD21 H 1 1.439 0.000 . 1 . . . . A 54 LEU HD21 . 30397 1 674 . 1 . 1 54 54 LEU HD22 H 1 1.439 0.000 . 1 . . . . A 54 LEU HD22 . 30397 1 675 . 1 . 1 54 54 LEU HD23 H 1 1.439 0.000 . 1 . . . . A 54 LEU HD23 . 30397 1 676 . 1 . 1 54 54 LEU C C 13 178.090 0.000 . 1 . . . . A 54 LEU C . 30397 1 677 . 1 . 1 54 54 LEU CA C 13 57.611 0.028 . 1 . . . . A 54 LEU CA . 30397 1 678 . 1 . 1 54 54 LEU CB C 13 39.042 0.015 . 1 . . . . A 54 LEU CB . 30397 1 679 . 1 . 1 54 54 LEU CG C 13 27.379 0.000 . 1 . . . . A 54 LEU CG . 30397 1 680 . 1 . 1 54 54 LEU CD1 C 13 24.977 0.000 . 1 . . . . A 54 LEU CD1 . 30397 1 681 . 1 . 1 54 54 LEU CD2 C 13 24.977 0.000 . 1 . . . . A 54 LEU CD2 . 30397 1 682 . 1 . 1 54 54 LEU N N 15 121.186 0.082 . 1 . . . . A 54 LEU N . 30397 1 683 . 1 . 1 55 55 ARG H H 1 7.863 0.011 . 1 . . . . A 55 ARG H . 30397 1 684 . 1 . 1 55 55 ARG HA H 1 4.042 0.020 . 1 . . . . A 55 ARG HA . 30397 1 685 . 1 . 1 55 55 ARG HB2 H 1 1.824 0.012 . 1 . . . . A 55 ARG HB2 . 30397 1 686 . 1 . 1 55 55 ARG HB3 H 1 1.824 0.012 . 1 . . . . A 55 ARG HB3 . 30397 1 687 . 1 . 1 55 55 ARG HG2 H 1 1.577 0.002 . 1 . . . . A 55 ARG HG2 . 30397 1 688 . 1 . 1 55 55 ARG HG3 H 1 1.577 0.002 . 1 . . . . A 55 ARG HG3 . 30397 1 689 . 1 . 1 55 55 ARG HD2 H 1 3.125 0.001 . 1 . . . . A 55 ARG HD2 . 30397 1 690 . 1 . 1 55 55 ARG HD3 H 1 3.125 0.001 . 1 . . . . A 55 ARG HD3 . 30397 1 691 . 1 . 1 55 55 ARG C C 13 180.214 0.000 . 1 . . . . A 55 ARG C . 30397 1 692 . 1 . 1 55 55 ARG CA C 13 59.000 0.119 . 1 . . . . A 55 ARG CA . 30397 1 693 . 1 . 1 55 55 ARG CB C 13 28.900 0.005 . 1 . . . . A 55 ARG CB . 30397 1 694 . 1 . 1 55 55 ARG CG C 13 27.724 0.004 . 1 . . . . A 55 ARG CG . 30397 1 695 . 1 . 1 55 55 ARG CD C 13 42.560 0.000 . 1 . . . . A 55 ARG CD . 30397 1 696 . 1 . 1 55 55 ARG N N 15 120.198 0.002 . 1 . . . . A 55 ARG N . 30397 1 697 . 1 . 1 56 56 PHE H H 1 8.949 0.016 . 1 . . . . A 56 PHE H . 30397 1 698 . 1 . 1 56 56 PHE HA H 1 4.785 0.010 . 1 . . . . A 56 PHE HA . 30397 1 699 . 1 . 1 56 56 PHE HB2 H 1 3.050 0.003 . 1 . . . . A 56 PHE HB2 . 30397 1 700 . 1 . 1 56 56 PHE HB3 H 1 3.050 0.003 . 1 . . . . A 56 PHE HB3 . 30397 1 701 . 1 . 1 56 56 PHE C C 13 179.044 0.000 . 1 . . . . A 56 PHE C . 30397 1 702 . 1 . 1 56 56 PHE CA C 13 56.164 0.197 . 1 . . . . A 56 PHE CA . 30397 1 703 . 1 . 1 56 56 PHE CB C 13 38.050 0.000 . 1 . . . . A 56 PHE CB . 30397 1 704 . 1 . 1 56 56 PHE N N 15 118.453 0.021 . 1 . . . . A 56 PHE N . 30397 1 705 . 1 . 1 57 57 THR H H 1 7.262 0.008 . 1 . . . . A 57 THR H . 30397 1 706 . 1 . 1 57 57 THR HA H 1 4.035 0.039 . 1 . . . . A 57 THR HA . 30397 1 707 . 1 . 1 57 57 THR HB H 1 4.079 0.026 . 1 . . . . A 57 THR HB . 30397 1 708 . 1 . 1 57 57 THR HG21 H 1 0.715 0.012 . 1 . . . . A 57 THR HG21 . 30397 1 709 . 1 . 1 57 57 THR HG22 H 1 0.715 0.012 . 1 . . . . A 57 THR HG22 . 30397 1 710 . 1 . 1 57 57 THR HG23 H 1 0.715 0.012 . 1 . . . . A 57 THR HG23 . 30397 1 711 . 1 . 1 57 57 THR C C 13 173.271 0.000 . 1 . . . . A 57 THR C . 30397 1 712 . 1 . 1 57 57 THR CA C 13 61.062 0.104 . 1 . . . . A 57 THR CA . 30397 1 713 . 1 . 1 57 57 THR CB C 13 69.358 0.145 . 1 . . . . A 57 THR CB . 30397 1 714 . 1 . 1 57 57 THR CG2 C 13 23.832 0.048 . 1 . . . . A 57 THR CG2 . 30397 1 715 . 1 . 1 57 57 THR N N 15 105.406 0.049 . 1 . . . . A 57 THR N . 30397 1 716 . 1 . 1 58 58 ALA H H 1 7.733 0.007 . 1 . . . . A 58 ALA H . 30397 1 717 . 1 . 1 58 58 ALA HA H 1 4.009 0.009 . 1 . . . . A 58 ALA HA . 30397 1 718 . 1 . 1 58 58 ALA HB1 H 1 1.465 0.007 . 1 . . . . A 58 ALA HB1 . 30397 1 719 . 1 . 1 58 58 ALA HB2 H 1 1.465 0.007 . 1 . . . . A 58 ALA HB2 . 30397 1 720 . 1 . 1 58 58 ALA HB3 H 1 1.465 0.007 . 1 . . . . A 58 ALA HB3 . 30397 1 721 . 1 . 1 58 58 ALA C C 13 175.664 0.000 . 1 . . . . A 58 ALA C . 30397 1 722 . 1 . 1 58 58 ALA CA C 13 53.074 0.079 . 1 . . . . A 58 ALA CA . 30397 1 723 . 1 . 1 58 58 ALA CB C 13 16.691 0.139 . 1 . . . . A 58 ALA CB . 30397 1 724 . 1 . 1 58 58 ALA N N 15 123.927 0.006 . 1 . . . . A 58 ALA N . 30397 1 725 . 1 . 1 59 59 ILE H H 1 8.241 0.007 . 1 . . . . A 59 ILE H . 30397 1 726 . 1 . 1 59 59 ILE HA H 1 4.136 0.013 . 1 . . . . A 59 ILE HA . 30397 1 727 . 1 . 1 59 59 ILE HB H 1 1.885 0.003 . 1 . . . . A 59 ILE HB . 30397 1 728 . 1 . 1 59 59 ILE HG12 H 1 1.540 0.003 . 2 . . . . A 59 ILE HG12 . 30397 1 729 . 1 . 1 59 59 ILE HG13 H 1 1.252 0.008 . 2 . . . . A 59 ILE HG13 . 30397 1 730 . 1 . 1 59 59 ILE HG21 H 1 0.925 0.008 . 1 . . . . A 59 ILE HG21 . 30397 1 731 . 1 . 1 59 59 ILE HG22 H 1 0.925 0.008 . 1 . . . . A 59 ILE HG22 . 30397 1 732 . 1 . 1 59 59 ILE HG23 H 1 0.925 0.008 . 1 . . . . A 59 ILE HG23 . 30397 1 733 . 1 . 1 59 59 ILE HD11 H 1 0.886 0.004 . 1 . . . . A 59 ILE HD11 . 30397 1 734 . 1 . 1 59 59 ILE HD12 H 1 0.886 0.004 . 1 . . . . A 59 ILE HD12 . 30397 1 735 . 1 . 1 59 59 ILE HD13 H 1 0.886 0.004 . 1 . . . . A 59 ILE HD13 . 30397 1 736 . 1 . 1 59 59 ILE C C 13 175.335 0.000 . 1 . . . . A 59 ILE C . 30397 1 737 . 1 . 1 59 59 ILE CA C 13 60.712 0.003 . 1 . . . . A 59 ILE CA . 30397 1 738 . 1 . 1 59 59 ILE CB C 13 38.004 0.005 . 1 . . . . A 59 ILE CB . 30397 1 739 . 1 . 1 59 59 ILE CG1 C 13 27.465 0.013 . 1 . . . . A 59 ILE CG1 . 30397 1 740 . 1 . 1 59 59 ILE CG2 C 13 17.501 0.001 . 1 . . . . A 59 ILE CG2 . 30397 1 741 . 1 . 1 59 59 ILE CD1 C 13 12.818 0.029 . 1 . . . . A 59 ILE CD1 . 30397 1 742 . 1 . 1 59 59 ILE N N 15 121.907 0.080 . 1 . . . . A 59 ILE N . 30397 1 743 . 1 . 1 60 60 LYS H H 1 8.217 0.002 . 1 . . . . A 60 LYS H . 30397 1 744 . 1 . 1 60 60 LYS HA H 1 4.437 0.003 . 1 . . . . A 60 LYS HA . 30397 1 745 . 1 . 1 60 60 LYS HB2 H 1 1.807 0.008 . 1 . . . . A 60 LYS HB2 . 30397 1 746 . 1 . 1 60 60 LYS HB3 H 1 1.807 0.008 . 1 . . . . A 60 LYS HB3 . 30397 1 747 . 1 . 1 60 60 LYS HG2 H 1 1.543 0.010 . 1 . . . . A 60 LYS HG2 . 30397 1 748 . 1 . 1 60 60 LYS HG3 H 1 1.543 0.010 . 1 . . . . A 60 LYS HG3 . 30397 1 749 . 1 . 1 60 60 LYS HD2 H 1 1.645 0.001 . 1 . . . . A 60 LYS HD2 . 30397 1 750 . 1 . 1 60 60 LYS HD3 H 1 1.645 0.001 . 1 . . . . A 60 LYS HD3 . 30397 1 751 . 1 . 1 60 60 LYS HE2 H 1 3.082 0.001 . 1 . . . . A 60 LYS HE2 . 30397 1 752 . 1 . 1 60 60 LYS HE3 H 1 3.082 0.001 . 1 . . . . A 60 LYS HE3 . 30397 1 753 . 1 . 1 60 60 LYS C C 13 174.737 0.000 . 1 . . . . A 60 LYS C . 30397 1 754 . 1 . 1 60 60 LYS CA C 13 54.830 0.026 . 1 . . . . A 60 LYS CA . 30397 1 755 . 1 . 1 60 60 LYS CB C 13 31.562 0.002 . 1 . . . . A 60 LYS CB . 30397 1 756 . 1 . 1 60 60 LYS CG C 13 24.874 0.042 . 1 . . . . A 60 LYS CG . 30397 1 757 . 1 . 1 60 60 LYS CD C 13 27.721 0.001 . 1 . . . . A 60 LYS CD . 30397 1 758 . 1 . 1 60 60 LYS CE C 13 42.310 0.000 . 1 . . . . A 60 LYS CE . 30397 1 759 . 1 . 1 60 60 LYS N N 15 128.188 0.024 . 1 . . . . A 60 LYS N . 30397 1 760 . 1 . 1 61 61 PRO HA H 1 4.210 0.022 . 1 . . . . A 61 PRO HA . 30397 1 761 . 1 . 1 61 61 PRO HB2 H 1 1.811 0.029 . 1 . . . . A 61 PRO HB2 . 30397 1 762 . 1 . 1 61 61 PRO HB3 H 1 1.811 0.029 . 1 . . . . A 61 PRO HB3 . 30397 1 763 . 1 . 1 61 61 PRO HG2 H 1 1.743 0.022 . 1 . . . . A 61 PRO HG2 . 30397 1 764 . 1 . 1 61 61 PRO HG3 H 1 1.743 0.022 . 1 . . . . A 61 PRO HG3 . 30397 1 765 . 1 . 1 61 61 PRO HD2 H 1 3.055 0.005 . 1 . . . . A 61 PRO HD2 . 30397 1 766 . 1 . 1 61 61 PRO HD3 H 1 3.055 0.005 . 1 . . . . A 61 PRO HD3 . 30397 1 767 . 1 . 1 61 61 PRO C C 13 176.032 0.000 . 1 . . . . A 61 PRO C . 30397 1 768 . 1 . 1 61 61 PRO CA C 13 56.315 0.078 . 1 . . . . A 61 PRO CA . 30397 1 769 . 1 . 1 61 61 PRO CB C 13 32.952 0.008 . 1 . . . . A 61 PRO CB . 30397 1 770 . 1 . 1 61 61 PRO CG C 13 28.429 0.189 . 1 . . . . A 61 PRO CG . 30397 1 771 . 1 . 1 61 61 PRO CD C 13 49.498 0.176 . 1 . . . . A 61 PRO CD . 30397 1 772 . 1 . 1 62 62 SER H H 1 8.423 0.009 . 1 . . . . A 62 SER H . 30397 1 773 . 1 . 1 62 62 SER HA H 1 4.390 0.023 . 1 . . . . A 62 SER HA . 30397 1 774 . 1 . 1 62 62 SER C C 13 174.302 0.000 . 1 . . . . A 62 SER C . 30397 1 775 . 1 . 1 62 62 SER CA C 13 57.156 0.156 . 1 . . . . A 62 SER CA . 30397 1 776 . 1 . 1 62 62 SER CB C 13 64.944 0.000 . 1 . . . . A 62 SER CB . 30397 1 777 . 1 . 1 62 62 SER N N 15 114.856 0.055 . 1 . . . . A 62 SER N . 30397 1 778 . 1 . 1 63 63 LEU H H 1 8.609 0.002 . 1 . . . . A 63 LEU H . 30397 1 779 . 1 . 1 63 63 LEU HA H 1 4.086 0.019 . 1 . . . . A 63 LEU HA . 30397 1 780 . 1 . 1 63 63 LEU HB2 H 1 1.697 0.005 . 1 . . . . A 63 LEU HB2 . 30397 1 781 . 1 . 1 63 63 LEU HB3 H 1 1.697 0.005 . 1 . . . . A 63 LEU HB3 . 30397 1 782 . 1 . 1 63 63 LEU HG H 1 1.506 0.002 . 1 . . . . A 63 LEU HG . 30397 1 783 . 1 . 1 63 63 LEU HD11 H 1 0.968 0.000 . 1 . . . . A 63 LEU HD11 . 30397 1 784 . 1 . 1 63 63 LEU HD12 H 1 0.968 0.000 . 1 . . . . A 63 LEU HD12 . 30397 1 785 . 1 . 1 63 63 LEU HD13 H 1 0.968 0.000 . 1 . . . . A 63 LEU HD13 . 30397 1 786 . 1 . 1 63 63 LEU HD21 H 1 0.968 0.001 . 1 . . . . A 63 LEU HD21 . 30397 1 787 . 1 . 1 63 63 LEU HD22 H 1 0.968 0.001 . 1 . . . . A 63 LEU HD22 . 30397 1 788 . 1 . 1 63 63 LEU HD23 H 1 0.968 0.001 . 1 . . . . A 63 LEU HD23 . 30397 1 789 . 1 . 1 63 63 LEU C C 13 179.379 0.000 . 1 . . . . A 63 LEU C . 30397 1 790 . 1 . 1 63 63 LEU CA C 13 57.918 0.151 . 1 . . . . A 63 LEU CA . 30397 1 791 . 1 . 1 63 63 LEU CB C 13 41.534 0.229 . 1 . . . . A 63 LEU CB . 30397 1 792 . 1 . 1 63 63 LEU CG C 13 27.530 0.000 . 1 . . . . A 63 LEU CG . 30397 1 793 . 1 . 1 63 63 LEU CD1 C 13 24.636 0.001 . 1 . . . . A 63 LEU CD1 . 30397 1 794 . 1 . 1 63 63 LEU CD2 C 13 24.636 0.001 . 1 . . . . A 63 LEU CD2 . 30397 1 795 . 1 . 1 63 63 LEU N N 15 121.952 0.024 . 1 . . . . A 63 LEU N . 30397 1 796 . 1 . 1 64 64 GLY H H 1 8.616 0.010 . 1 . . . . A 64 GLY H . 30397 1 797 . 1 . 1 64 64 GLY HA2 H 1 3.909 0.028 . 1 . . . . A 64 GLY HA2 . 30397 1 798 . 1 . 1 64 64 GLY HA3 H 1 3.909 0.028 . 1 . . . . A 64 GLY HA3 . 30397 1 799 . 1 . 1 64 64 GLY C C 13 177.502 0.000 . 1 . . . . A 64 GLY C . 30397 1 800 . 1 . 1 64 64 GLY CA C 13 47.160 0.117 . 1 . . . . A 64 GLY CA . 30397 1 801 . 1 . 1 64 64 GLY N N 15 105.523 0.039 . 1 . . . . A 64 GLY N . 30397 1 802 . 1 . 1 65 65 LEU H H 1 7.528 0.007 . 1 . . . . A 65 LEU H . 30397 1 803 . 1 . 1 65 65 LEU HA H 1 4.226 0.017 . 1 . . . . A 65 LEU HA . 30397 1 804 . 1 . 1 65 65 LEU HB2 H 1 1.639 0.027 . 1 . . . . A 65 LEU HB2 . 30397 1 805 . 1 . 1 65 65 LEU HB3 H 1 1.639 0.027 . 1 . . . . A 65 LEU HB3 . 30397 1 806 . 1 . 1 65 65 LEU HG H 1 1.042 0.004 . 1 . . . . A 65 LEU HG . 30397 1 807 . 1 . 1 65 65 LEU HD11 H 1 0.907 0.000 . 1 . . . . A 65 LEU HD11 . 30397 1 808 . 1 . 1 65 65 LEU HD12 H 1 0.907 0.000 . 1 . . . . A 65 LEU HD12 . 30397 1 809 . 1 . 1 65 65 LEU HD13 H 1 0.907 0.000 . 1 . . . . A 65 LEU HD13 . 30397 1 810 . 1 . 1 65 65 LEU HD21 H 1 0.907 0.000 . 1 . . . . A 65 LEU HD21 . 30397 1 811 . 1 . 1 65 65 LEU HD22 H 1 0.907 0.000 . 1 . . . . A 65 LEU HD22 . 30397 1 812 . 1 . 1 65 65 LEU HD23 H 1 0.907 0.000 . 1 . . . . A 65 LEU HD23 . 30397 1 813 . 1 . 1 65 65 LEU C C 13 178.617 0.000 . 1 . . . . A 65 LEU C . 30397 1 814 . 1 . 1 65 65 LEU CA C 13 57.964 0.132 . 1 . . . . A 65 LEU CA . 30397 1 815 . 1 . 1 65 65 LEU CB C 13 41.926 0.107 . 1 . . . . A 65 LEU CB . 30397 1 816 . 1 . 1 65 65 LEU CG C 13 26.941 0.007 . 1 . . . . A 65 LEU CG . 30397 1 817 . 1 . 1 65 65 LEU CD1 C 13 25.172 0.003 . 1 . . . . A 65 LEU CD1 . 30397 1 818 . 1 . 1 65 65 LEU CD2 C 13 25.172 0.003 . 1 . . . . A 65 LEU CD2 . 30397 1 819 . 1 . 1 65 65 LEU N N 15 122.440 0.015 . 1 . . . . A 65 LEU N . 30397 1 820 . 1 . 1 66 66 ILE H H 1 8.132 0.011 . 1 . . . . A 66 ILE H . 30397 1 821 . 1 . 1 66 66 ILE HA H 1 3.827 0.016 . 1 . . . . A 66 ILE HA . 30397 1 822 . 1 . 1 66 66 ILE HB H 1 2.131 0.009 . 1 . . . . A 66 ILE HB . 30397 1 823 . 1 . 1 66 66 ILE HG12 H 1 1.144 0.022 . 1 . . . . A 66 ILE HG12 . 30397 1 824 . 1 . 1 66 66 ILE HG13 H 1 1.167 0.000 . 1 . . . . A 66 ILE HG13 . 30397 1 825 . 1 . 1 66 66 ILE HG21 H 1 1.051 0.019 . 1 . . . . A 66 ILE HG21 . 30397 1 826 . 1 . 1 66 66 ILE HG22 H 1 1.051 0.019 . 1 . . . . A 66 ILE HG22 . 30397 1 827 . 1 . 1 66 66 ILE HG23 H 1 1.051 0.019 . 1 . . . . A 66 ILE HG23 . 30397 1 828 . 1 . 1 66 66 ILE HD11 H 1 0.781 0.009 . 1 . . . . A 66 ILE HD11 . 30397 1 829 . 1 . 1 66 66 ILE HD12 H 1 0.781 0.009 . 1 . . . . A 66 ILE HD12 . 30397 1 830 . 1 . 1 66 66 ILE HD13 H 1 0.781 0.009 . 1 . . . . A 66 ILE HD13 . 30397 1 831 . 1 . 1 66 66 ILE C C 13 179.563 0.000 . 1 . . . . A 66 ILE C . 30397 1 832 . 1 . 1 66 66 ILE CA C 13 64.225 0.102 . 1 . . . . A 66 ILE CA . 30397 1 833 . 1 . 1 66 66 ILE CB C 13 36.984 0.110 . 1 . . . . A 66 ILE CB . 30397 1 834 . 1 . 1 66 66 ILE CG1 C 13 23.590 0.140 . 1 . . . . A 66 ILE CG1 . 30397 1 835 . 1 . 1 66 66 ILE CG2 C 13 18.096 0.097 . 1 . . . . A 66 ILE CG2 . 30397 1 836 . 1 . 1 66 66 ILE CD1 C 13 11.931 0.119 . 1 . . . . A 66 ILE CD1 . 30397 1 837 . 1 . 1 66 66 ILE N N 15 121.141 0.047 . 1 . . . . A 66 ILE N . 30397 1 838 . 1 . 1 67 67 ASN H H 1 8.899 0.008 . 1 . . . . A 67 ASN H . 30397 1 839 . 1 . 1 67 67 ASN HA H 1 4.608 0.017 . 1 . . . . A 67 ASN HA . 30397 1 840 . 1 . 1 67 67 ASN HB2 H 1 2.979 0.029 . 1 . . . . A 67 ASN HB2 . 30397 1 841 . 1 . 1 67 67 ASN HB3 H 1 2.914 0.021 . 1 . . . . A 67 ASN HB3 . 30397 1 842 . 1 . 1 67 67 ASN C C 13 178.901 0.000 . 1 . . . . A 67 ASN C . 30397 1 843 . 1 . 1 67 67 ASN CA C 13 55.964 0.031 . 1 . . . . A 67 ASN CA . 30397 1 844 . 1 . 1 67 67 ASN CB C 13 37.940 0.057 . 1 . . . . A 67 ASN CB . 30397 1 845 . 1 . 1 67 67 ASN N N 15 120.696 0.026 . 1 . . . . A 67 ASN N . 30397 1 846 . 1 . 1 68 68 ARG H H 1 7.806 0.007 . 1 . . . . A 68 ARG H . 30397 1 847 . 1 . 1 68 68 ARG HA H 1 4.394 0.006 . 1 . . . . A 68 ARG HA . 30397 1 848 . 1 . 1 68 68 ARG HB2 H 1 1.899 0.035 . 1 . . . . A 68 ARG HB2 . 30397 1 849 . 1 . 1 68 68 ARG HB3 H 1 1.899 0.035 . 1 . . . . A 68 ARG HB3 . 30397 1 850 . 1 . 1 68 68 ARG HG2 H 1 1.487 0.001 . 1 . . . . A 68 ARG HG2 . 30397 1 851 . 1 . 1 68 68 ARG HG3 H 1 1.487 0.001 . 1 . . . . A 68 ARG HG3 . 30397 1 852 . 1 . 1 68 68 ARG HD2 H 1 3.053 0.002 . 1 . . . . A 68 ARG HD2 . 30397 1 853 . 1 . 1 68 68 ARG HD3 H 1 3.054 0.002 . 1 . . . . A 68 ARG HD3 . 30397 1 854 . 1 . 1 68 68 ARG C C 13 179.446 0.000 . 1 . . . . A 68 ARG C . 30397 1 855 . 1 . 1 68 68 ARG CA C 13 57.069 0.045 . 1 . . . . A 68 ARG CA . 30397 1 856 . 1 . 1 68 68 ARG CB C 13 32.854 0.135 . 1 . . . . A 68 ARG CB . 30397 1 857 . 1 . 1 68 68 ARG CG C 13 27.071 0.001 . 1 . . . . A 68 ARG CG . 30397 1 858 . 1 . 1 68 68 ARG CD C 13 42.741 0.059 . 1 . . . . A 68 ARG CD . 30397 1 859 . 1 . 1 68 68 ARG N N 15 120.848 0.031 . 1 . . . . A 68 ARG N . 30397 1 860 . 1 . 1 69 69 TRP H H 1 8.488 0.006 . 1 . . . . A 69 TRP H . 30397 1 861 . 1 . 1 69 69 TRP HA H 1 4.495 0.014 . 1 . . . . A 69 TRP HA . 30397 1 862 . 1 . 1 69 69 TRP HB2 H 1 3.307 0.007 . 1 . . . . A 69 TRP HB2 . 30397 1 863 . 1 . 1 69 69 TRP HB3 H 1 3.307 0.007 . 1 . . . . A 69 TRP HB3 . 30397 1 864 . 1 . 1 69 69 TRP HD1 H 1 7.440 0.024 . 1 . . . . A 69 TRP HD1 . 30397 1 865 . 1 . 1 69 69 TRP HE1 H 1 10.085 0.003 . 1 . . . . A 69 TRP HE1 . 30397 1 866 . 1 . 1 69 69 TRP HE3 H 1 6.977 0.003 . 1 . . . . A 69 TRP HE3 . 30397 1 867 . 1 . 1 69 69 TRP HZ2 H 1 7.355 0.028 . 1 . . . . A 69 TRP HZ2 . 30397 1 868 . 1 . 1 69 69 TRP HZ3 H 1 7.106 0.002 . 1 . . . . A 69 TRP HZ3 . 30397 1 869 . 1 . 1 69 69 TRP HH2 H 1 7.254 0.036 . 1 . . . . A 69 TRP HH2 . 30397 1 870 . 1 . 1 69 69 TRP C C 13 177.522 0.000 . 1 . . . . A 69 TRP C . 30397 1 871 . 1 . 1 69 69 TRP CA C 13 58.883 0.084 . 1 . . . . A 69 TRP CA . 30397 1 872 . 1 . 1 69 69 TRP CB C 13 30.080 0.000 . 1 . . . . A 69 TRP CB . 30397 1 873 . 1 . 1 69 69 TRP CD1 C 13 130.880 0.010 . 1 . . . . A 69 TRP CD1 . 30397 1 874 . 1 . 1 69 69 TRP CE3 C 13 119.407 0.005 . 1 . . . . A 69 TRP CE3 . 30397 1 875 . 1 . 1 69 69 TRP CZ2 C 13 113.755 0.028 . 1 . . . . A 69 TRP CZ2 . 30397 1 876 . 1 . 1 69 69 TRP CZ3 C 13 124.346 0.002 . 1 . . . . A 69 TRP CZ3 . 30397 1 877 . 1 . 1 69 69 TRP CH2 C 13 127.911 0.000 . 1 . . . . A 69 TRP CH2 . 30397 1 878 . 1 . 1 69 69 TRP N N 15 120.988 0.036 . 1 . . . . A 69 TRP N . 30397 1 879 . 1 . 1 69 69 TRP NE1 N 15 128.697 0.023 . 1 . . . . A 69 TRP NE1 . 30397 1 880 . 1 . 1 70 70 GLY H H 1 8.283 0.004 . 1 . . . . A 70 GLY H . 30397 1 881 . 1 . 1 70 70 GLY HA2 H 1 3.059 0.003 . 1 . . . . A 70 GLY HA2 . 30397 1 882 . 1 . 1 70 70 GLY HA3 H 1 3.059 0.003 . 1 . . . . A 70 GLY HA3 . 30397 1 883 . 1 . 1 70 70 GLY C C 13 176.227 0.000 . 1 . . . . A 70 GLY C . 30397 1 884 . 1 . 1 70 70 GLY CA C 13 46.585 0.296 . 1 . . . . A 70 GLY CA . 30397 1 885 . 1 . 1 70 70 GLY N N 15 104.293 0.043 . 1 . . . . A 70 GLY N . 30397 1 886 . 1 . 1 71 71 SER H H 1 7.612 0.003 . 1 . . . . A 71 SER H . 30397 1 887 . 1 . 1 71 71 SER HA H 1 4.629 0.030 . 1 . . . . A 71 SER HA . 30397 1 888 . 1 . 1 71 71 SER HB2 H 1 4.087 0.001 . 2 . . . . A 71 SER HB2 . 30397 1 889 . 1 . 1 71 71 SER HB3 H 1 3.959 0.014 . 2 . . . . A 71 SER HB3 . 30397 1 890 . 1 . 1 71 71 SER C C 13 174.531 0.000 . 1 . . . . A 71 SER C . 30397 1 891 . 1 . 1 71 71 SER CA C 13 58.677 0.007 . 1 . . . . A 71 SER CA . 30397 1 892 . 1 . 1 71 71 SER CB C 13 64.940 0.089 . 1 . . . . A 71 SER CB . 30397 1 893 . 1 . 1 71 71 SER N N 15 125.460 0.035 . 1 . . . . A 71 SER N . 30397 1 894 . 1 . 1 72 72 VAL H H 1 7.134 0.006 . 1 . . . . A 72 VAL H . 30397 1 895 . 1 . 1 72 72 VAL HA H 1 4.196 0.012 . 1 . . . . A 72 VAL HA . 30397 1 896 . 1 . 1 72 72 VAL HB H 1 2.202 0.020 . 1 . . . . A 72 VAL HB . 30397 1 897 . 1 . 1 72 72 VAL HG11 H 1 0.964 0.013 . 1 . . . . A 72 VAL HG11 . 30397 1 898 . 1 . 1 72 72 VAL HG12 H 1 0.964 0.013 . 1 . . . . A 72 VAL HG12 . 30397 1 899 . 1 . 1 72 72 VAL HG13 H 1 0.964 0.013 . 1 . . . . A 72 VAL HG13 . 30397 1 900 . 1 . 1 72 72 VAL HG21 H 1 0.962 0.011 . 1 . . . . A 72 VAL HG21 . 30397 1 901 . 1 . 1 72 72 VAL HG22 H 1 0.962 0.011 . 1 . . . . A 72 VAL HG22 . 30397 1 902 . 1 . 1 72 72 VAL HG23 H 1 0.962 0.011 . 1 . . . . A 72 VAL HG23 . 30397 1 903 . 1 . 1 72 72 VAL C C 13 174.412 0.000 . 1 . . . . A 72 VAL C . 30397 1 904 . 1 . 1 72 72 VAL CA C 13 61.846 0.003 . 1 . . . . A 72 VAL CA . 30397 1 905 . 1 . 1 72 72 VAL CB C 13 31.900 0.060 . 1 . . . . A 72 VAL CB . 30397 1 906 . 1 . 1 72 72 VAL CG1 C 13 20.745 0.006 . 1 . . . . A 72 VAL CG1 . 30397 1 907 . 1 . 1 72 72 VAL CG2 C 13 20.738 0.000 . 1 . . . . A 72 VAL CG2 . 30397 1 908 . 1 . 1 72 72 VAL N N 15 121.707 0.028 . 1 . . . . A 72 VAL N . 30397 1 909 . 1 . 1 73 73 GLY H H 1 8.815 0.014 . 1 . . . . A 73 GLY H . 30397 1 910 . 1 . 1 73 73 GLY HA2 H 1 4.027 0.016 . 1 . . . . A 73 GLY HA2 . 30397 1 911 . 1 . 1 73 73 GLY HA3 H 1 4.027 0.015 . 1 . . . . A 73 GLY HA3 . 30397 1 912 . 1 . 1 73 73 GLY C C 13 174.082 0.000 . 1 . . . . A 73 GLY C . 30397 1 913 . 1 . 1 73 73 GLY CA C 13 45.518 0.171 . 1 . . . . A 73 GLY CA . 30397 1 914 . 1 . 1 73 73 GLY N N 15 114.951 0.023 . 1 . . . . A 73 GLY N . 30397 1 915 . 1 . 1 74 74 LYS H H 1 8.498 0.011 . 1 . . . . A 74 LYS H . 30397 1 916 . 1 . 1 74 74 LYS HA H 1 3.747 0.012 . 1 . . . . A 74 LYS HA . 30397 1 917 . 1 . 1 74 74 LYS HB2 H 1 1.835 0.000 . 1 . . . . A 74 LYS HB2 . 30397 1 918 . 1 . 1 74 74 LYS HB3 H 1 1.835 0.000 . 1 . . . . A 74 LYS HB3 . 30397 1 919 . 1 . 1 74 74 LYS HG2 H 1 1.477 0.015 . 1 . . . . A 74 LYS HG2 . 30397 1 920 . 1 . 1 74 74 LYS HG3 H 1 1.477 0.015 . 1 . . . . A 74 LYS HG3 . 30397 1 921 . 1 . 1 74 74 LYS HD2 H 1 1.787 0.013 . 1 . . . . A 74 LYS HD2 . 30397 1 922 . 1 . 1 74 74 LYS HD3 H 1 1.787 0.013 . 1 . . . . A 74 LYS HD3 . 30397 1 923 . 1 . 1 74 74 LYS HE2 H 1 3.052 0.000 . 1 . . . . A 74 LYS HE2 . 30397 1 924 . 1 . 1 74 74 LYS HE3 H 1 3.050 0.004 . 1 . . . . A 74 LYS HE3 . 30397 1 925 . 1 . 1 74 74 LYS C C 13 177.685 0.000 . 1 . . . . A 74 LYS C . 30397 1 926 . 1 . 1 74 74 LYS CA C 13 60.621 0.065 . 1 . . . . A 74 LYS CA . 30397 1 927 . 1 . 1 74 74 LYS CB C 13 32.845 0.055 . 1 . . . . A 74 LYS CB . 30397 1 928 . 1 . 1 74 74 LYS CG C 13 24.963 0.004 . 1 . . . . A 74 LYS CG . 30397 1 929 . 1 . 1 74 74 LYS CD C 13 29.064 0.005 . 1 . . . . A 74 LYS CD . 30397 1 930 . 1 . 1 74 74 LYS CE C 13 42.156 0.006 . 1 . . . . A 74 LYS CE . 30397 1 931 . 1 . 1 74 74 LYS N N 15 124.608 0.018 . 1 . . . . A 74 LYS N . 30397 1 932 . 1 . 1 75 75 LYS H H 1 8.399 0.002 . 1 . . . . A 75 LYS H . 30397 1 933 . 1 . 1 75 75 LYS HA H 1 3.960 0.018 . 1 . . . . A 75 LYS HA . 30397 1 934 . 1 . 1 75 75 LYS HB2 H 1 1.845 0.001 . 1 . . . . A 75 LYS HB2 . 30397 1 935 . 1 . 1 75 75 LYS HB3 H 1 1.845 0.001 . 1 . . . . A 75 LYS HB3 . 30397 1 936 . 1 . 1 75 75 LYS HG2 H 1 1.397 0.007 . 1 . . . . A 75 LYS HG2 . 30397 1 937 . 1 . 1 75 75 LYS HG3 H 1 1.397 0.007 . 1 . . . . A 75 LYS HG3 . 30397 1 938 . 1 . 1 75 75 LYS HD2 H 1 1.535 0.001 . 1 . . . . A 75 LYS HD2 . 30397 1 939 . 1 . 1 75 75 LYS HD3 H 1 1.535 0.001 . 1 . . . . A 75 LYS HD3 . 30397 1 940 . 1 . 1 75 75 LYS HE2 H 1 3.038 0.001 . 1 . . . . A 75 LYS HE2 . 30397 1 941 . 1 . 1 75 75 LYS HE3 H 1 3.038 0.001 . 1 . . . . A 75 LYS HE3 . 30397 1 942 . 1 . 1 75 75 LYS C C 13 179.004 0.000 . 1 . . . . A 75 LYS C . 30397 1 943 . 1 . 1 75 75 LYS CA C 13 60.016 0.107 . 1 . . . . A 75 LYS CA . 30397 1 944 . 1 . 1 75 75 LYS CB C 13 31.901 0.001 . 1 . . . . A 75 LYS CB . 30397 1 945 . 1 . 1 75 75 LYS CG C 13 25.158 0.002 . 1 . . . . A 75 LYS CG . 30397 1 946 . 1 . 1 75 75 LYS CD C 13 27.802 0.003 . 1 . . . . A 75 LYS CD . 30397 1 947 . 1 . 1 75 75 LYS CE C 13 42.000 0.001 . 1 . . . . A 75 LYS CE . 30397 1 948 . 1 . 1 75 75 LYS N N 15 118.222 0.017 . 1 . . . . A 75 LYS N . 30397 1 949 . 1 . 1 76 76 GLU H H 1 8.383 0.007 . 1 . . . . A 76 GLU H . 30397 1 950 . 1 . 1 76 76 GLU HA H 1 4.043 0.013 . 1 . . . . A 76 GLU HA . 30397 1 951 . 1 . 1 76 76 GLU HB2 H 1 1.909 0.008 . 1 . . . . A 76 GLU HB2 . 30397 1 952 . 1 . 1 76 76 GLU HB3 H 1 1.909 0.008 . 1 . . . . A 76 GLU HB3 . 30397 1 953 . 1 . 1 76 76 GLU HG2 H 1 2.246 0.031 . 2 . . . . A 76 GLU HG2 . 30397 1 954 . 1 . 1 76 76 GLU HG3 H 1 2.312 0.029 . 2 . . . . A 76 GLU HG3 . 30397 1 955 . 1 . 1 76 76 GLU C C 13 178.576 0.000 . 1 . . . . A 76 GLU C . 30397 1 956 . 1 . 1 76 76 GLU CA C 13 59.266 0.127 . 1 . . . . A 76 GLU CA . 30397 1 957 . 1 . 1 76 76 GLU CB C 13 29.366 0.060 . 1 . . . . A 76 GLU CB . 30397 1 958 . 1 . 1 76 76 GLU CG C 13 36.738 0.098 . 1 . . . . A 76 GLU CG . 30397 1 959 . 1 . 1 76 76 GLU N N 15 118.998 0.104 . 1 . . . . A 76 GLU N . 30397 1 960 . 1 . 1 77 77 ALA H H 1 8.236 0.009 . 1 . . . . A 77 ALA H . 30397 1 961 . 1 . 1 77 77 ALA HA H 1 3.899 0.010 . 1 . . . . A 77 ALA HA . 30397 1 962 . 1 . 1 77 77 ALA HB1 H 1 1.436 0.003 . 1 . . . . A 77 ALA HB1 . 30397 1 963 . 1 . 1 77 77 ALA HB2 H 1 1.436 0.003 . 1 . . . . A 77 ALA HB2 . 30397 1 964 . 1 . 1 77 77 ALA HB3 H 1 1.436 0.003 . 1 . . . . A 77 ALA HB3 . 30397 1 965 . 1 . 1 77 77 ALA C C 13 179.339 0.000 . 1 . . . . A 77 ALA C . 30397 1 966 . 1 . 1 77 77 ALA CA C 13 55.137 0.064 . 1 . . . . A 77 ALA CA . 30397 1 967 . 1 . 1 77 77 ALA CB C 13 19.316 0.069 . 1 . . . . A 77 ALA CB . 30397 1 968 . 1 . 1 77 77 ALA N N 15 119.168 0.058 . 1 . . . . A 77 ALA N . 30397 1 969 . 1 . 1 78 78 MET H H 1 8.491 0.021 . 1 . . . . A 78 MET H . 30397 1 970 . 1 . 1 78 78 MET HA H 1 3.842 0.006 . 1 . . . . A 78 MET HA . 30397 1 971 . 1 . 1 78 78 MET HB2 H 1 2.401 0.008 . 2 . . . . A 78 MET HB2 . 30397 1 972 . 1 . 1 78 78 MET HB3 H 1 2.278 0.004 . 2 . . . . A 78 MET HB3 . 30397 1 973 . 1 . 1 78 78 MET HG2 H 1 2.889 0.008 . 1 . . . . A 78 MET HG2 . 30397 1 974 . 1 . 1 78 78 MET HG3 H 1 2.889 0.008 . 1 . . . . A 78 MET HG3 . 30397 1 975 . 1 . 1 78 78 MET HE1 H 1 2.243 0.004 . 1 . . . . A 78 MET HE1 . 30397 1 976 . 1 . 1 78 78 MET HE2 H 1 2.243 0.004 . 1 . . . . A 78 MET HE2 . 30397 1 977 . 1 . 1 78 78 MET HE3 H 1 2.243 0.004 . 1 . . . . A 78 MET HE3 . 30397 1 978 . 1 . 1 78 78 MET C C 13 177.922 0.000 . 1 . . . . A 78 MET C . 30397 1 979 . 1 . 1 78 78 MET CA C 13 60.080 0.048 . 1 . . . . A 78 MET CA . 30397 1 980 . 1 . 1 78 78 MET CB C 13 32.551 0.114 . 1 . . . . A 78 MET CB . 30397 1 981 . 1 . 1 78 78 MET CG C 13 32.540 0.093 . 1 . . . . A 78 MET CG . 30397 1 982 . 1 . 1 78 78 MET CE C 13 17.668 0.064 . 1 . . . . A 78 MET CE . 30397 1 983 . 1 . 1 78 78 MET N N 15 115.896 0.026 . 1 . . . . A 78 MET N . 30397 1 984 . 1 . 1 79 79 GLU H H 1 7.856 0.004 . 1 . . . . A 79 GLU H . 30397 1 985 . 1 . 1 79 79 GLU HA H 1 3.957 0.017 . 1 . . . . A 79 GLU HA . 30397 1 986 . 1 . 1 79 79 GLU HB2 H 1 2.092 0.020 . 1 . . . . A 79 GLU HB2 . 30397 1 987 . 1 . 1 79 79 GLU HB3 H 1 2.092 0.020 . 1 . . . . A 79 GLU HB3 . 30397 1 988 . 1 . 1 79 79 GLU HG2 H 1 2.425 0.015 . 2 . . . . A 79 GLU HG2 . 30397 1 989 . 1 . 1 79 79 GLU HG3 H 1 2.365 0.017 . 2 . . . . A 79 GLU HG3 . 30397 1 990 . 1 . 1 79 79 GLU C C 13 179.637 0.000 . 1 . . . . A 79 GLU C . 30397 1 991 . 1 . 1 79 79 GLU CA C 13 59.366 0.088 . 1 . . . . A 79 GLU CA . 30397 1 992 . 1 . 1 79 79 GLU CB C 13 29.536 0.132 . 1 . . . . A 79 GLU CB . 30397 1 993 . 1 . 1 79 79 GLU CG C 13 36.399 0.125 . 1 . . . . A 79 GLU CG . 30397 1 994 . 1 . 1 79 79 GLU N N 15 117.335 0.040 . 1 . . . . A 79 GLU N . 30397 1 995 . 1 . 1 80 80 ILE H H 1 7.645 0.009 . 1 . . . . A 80 ILE H . 30397 1 996 . 1 . 1 80 80 ILE HA H 1 3.442 0.017 . 1 . . . . A 80 ILE HA . 30397 1 997 . 1 . 1 80 80 ILE HB H 1 1.571 0.010 . 1 . . . . A 80 ILE HB . 30397 1 998 . 1 . 1 80 80 ILE HG12 H 1 1.831 0.002 . 1 . . . . A 80 ILE HG12 . 30397 1 999 . 1 . 1 80 80 ILE HG13 H 1 1.831 0.002 . 1 . . . . A 80 ILE HG13 . 30397 1 1000 . 1 . 1 80 80 ILE HG21 H 1 0.290 0.010 . 1 . . . . A 80 ILE HG21 . 30397 1 1001 . 1 . 1 80 80 ILE HG22 H 1 0.290 0.010 . 1 . . . . A 80 ILE HG22 . 30397 1 1002 . 1 . 1 80 80 ILE HG23 H 1 0.290 0.010 . 1 . . . . A 80 ILE HG23 . 30397 1 1003 . 1 . 1 80 80 ILE HD11 H 1 0.763 0.007 . 1 . . . . A 80 ILE HD11 . 30397 1 1004 . 1 . 1 80 80 ILE HD12 H 1 0.763 0.007 . 1 . . . . A 80 ILE HD12 . 30397 1 1005 . 1 . 1 80 80 ILE HD13 H 1 0.763 0.007 . 1 . . . . A 80 ILE HD13 . 30397 1 1006 . 1 . 1 80 80 ILE C C 13 176.867 0.000 . 1 . . . . A 80 ILE C . 30397 1 1007 . 1 . 1 80 80 ILE CA C 13 65.163 0.055 . 1 . . . . A 80 ILE CA . 30397 1 1008 . 1 . 1 80 80 ILE CB C 13 37.595 0.074 . 1 . . . . A 80 ILE CB . 30397 1 1009 . 1 . 1 80 80 ILE CG1 C 13 30.372 0.002 . 1 . . . . A 80 ILE CG1 . 30397 1 1010 . 1 . 1 80 80 ILE CG2 C 13 19.984 0.076 . 1 . . . . A 80 ILE CG2 . 30397 1 1011 . 1 . 1 80 80 ILE CD1 C 13 14.765 0.056 . 1 . . . . A 80 ILE CD1 . 30397 1 1012 . 1 . 1 80 80 ILE N N 15 120.242 0.029 . 1 . . . . A 80 ILE N . 30397 1 1013 . 1 . 1 81 81 ILE H H 1 8.285 0.003 . 1 . . . . A 81 ILE H . 30397 1 1014 . 1 . 1 81 81 ILE HA H 1 3.214 0.009 . 1 . . . . A 81 ILE HA . 30397 1 1015 . 1 . 1 81 81 ILE HB H 1 1.859 0.014 . 1 . . . . A 81 ILE HB . 30397 1 1016 . 1 . 1 81 81 ILE HG12 H 1 1.061 0.025 . 1 . . . . A 81 ILE HG12 . 30397 1 1017 . 1 . 1 81 81 ILE HG13 H 1 1.061 0.025 . 1 . . . . A 81 ILE HG13 . 30397 1 1018 . 1 . 1 81 81 ILE HG21 H 1 0.953 0.033 . 1 . . . . A 81 ILE HG21 . 30397 1 1019 . 1 . 1 81 81 ILE HG22 H 1 0.953 0.033 . 1 . . . . A 81 ILE HG22 . 30397 1 1020 . 1 . 1 81 81 ILE HG23 H 1 0.953 0.033 . 1 . . . . A 81 ILE HG23 . 30397 1 1021 . 1 . 1 81 81 ILE HD11 H 1 0.931 0.017 . 1 . . . . A 81 ILE HD11 . 30397 1 1022 . 1 . 1 81 81 ILE HD12 H 1 0.931 0.017 . 1 . . . . A 81 ILE HD12 . 30397 1 1023 . 1 . 1 81 81 ILE HD13 H 1 0.931 0.017 . 1 . . . . A 81 ILE HD13 . 30397 1 1024 . 1 . 1 81 81 ILE C C 13 178.150 0.000 . 1 . . . . A 81 ILE C . 30397 1 1025 . 1 . 1 81 81 ILE CA C 13 65.070 0.064 . 1 . . . . A 81 ILE CA . 30397 1 1026 . 1 . 1 81 81 ILE CB C 13 36.970 0.042 . 1 . . . . A 81 ILE CB . 30397 1 1027 . 1 . 1 81 81 ILE CG1 C 13 24.891 0.164 . 1 . . . . A 81 ILE CG1 . 30397 1 1028 . 1 . 1 81 81 ILE CG2 C 13 19.455 0.200 . 1 . . . . A 81 ILE CG2 . 30397 1 1029 . 1 . 1 81 81 ILE CD1 C 13 12.916 0.009 . 1 . . . . A 81 ILE CD1 . 30397 1 1030 . 1 . 1 81 81 ILE N N 15 118.564 0.086 . 1 . . . . A 81 ILE N . 30397 1 1031 . 1 . 1 82 82 LYS H H 1 8.247 0.011 . 1 . . . . A 82 LYS H . 30397 1 1032 . 1 . 1 82 82 LYS CA C 13 61.223 0.000 . 1 . . . . A 82 LYS CA . 30397 1 1033 . 1 . 1 82 82 LYS N N 15 119.122 0.195 . 1 . . . . A 82 LYS N . 30397 1 1034 . 1 . 1 83 83 LYS C C 13 179.219 0.000 . 1 . . . . A 83 LYS C . 30397 1 1035 . 1 . 1 83 83 LYS CA C 13 62.717 0.000 . 1 . . . . A 83 LYS CA . 30397 1 1036 . 1 . 1 83 83 LYS CB C 13 32.423 0.000 . 1 . . . . A 83 LYS CB . 30397 1 1037 . 1 . 1 84 84 PHE H H 1 8.863 0.004 . 1 . . . . A 84 PHE H . 30397 1 1038 . 1 . 1 84 84 PHE HA H 1 4.060 0.009 . 1 . . . . A 84 PHE HA . 30397 1 1039 . 1 . 1 84 84 PHE HB2 H 1 2.054 0.014 . 1 . . . . A 84 PHE HB2 . 30397 1 1040 . 1 . 1 84 84 PHE HB3 H 1 2.054 0.014 . 1 . . . . A 84 PHE HB3 . 30397 1 1041 . 1 . 1 84 84 PHE C C 13 176.072 0.000 . 1 . . . . A 84 PHE C . 30397 1 1042 . 1 . 1 84 84 PHE CA C 13 62.743 0.022 . 1 . . . . A 84 PHE CA . 30397 1 1043 . 1 . 1 84 84 PHE CB C 13 37.504 0.093 . 1 . . . . A 84 PHE CB . 30397 1 1044 . 1 . 1 84 84 PHE N N 15 124.247 0.002 . 1 . . . . A 84 PHE N . 30397 1 1045 . 1 . 1 85 85 LYS H H 1 9.023 0.001 . 1 . . . . A 85 LYS H . 30397 1 1046 . 1 . 1 85 85 LYS HA H 1 4.105 0.013 . 1 . . . . A 85 LYS HA . 30397 1 1047 . 1 . 1 85 85 LYS HB2 H 1 2.031 0.010 . 1 . . . . A 85 LYS HB2 . 30397 1 1048 . 1 . 1 85 85 LYS HB3 H 1 2.031 0.010 . 1 . . . . A 85 LYS HB3 . 30397 1 1049 . 1 . 1 85 85 LYS HG2 H 1 1.396 0.001 . 1 . . . . A 85 LYS HG2 . 30397 1 1050 . 1 . 1 85 85 LYS HG3 H 1 1.396 0.001 . 1 . . . . A 85 LYS HG3 . 30397 1 1051 . 1 . 1 85 85 LYS HD2 H 1 1.662 0.002 . 1 . . . . A 85 LYS HD2 . 30397 1 1052 . 1 . 1 85 85 LYS HD3 H 1 1.662 0.002 . 1 . . . . A 85 LYS HD3 . 30397 1 1053 . 1 . 1 85 85 LYS HE2 H 1 3.046 0.001 . 2 . . . . A 85 LYS HE2 . 30397 1 1054 . 1 . 1 85 85 LYS HE3 H 1 2.956 0.023 . 2 . . . . A 85 LYS HE3 . 30397 1 1055 . 1 . 1 85 85 LYS C C 13 177.762 0.000 . 1 . . . . A 85 LYS C . 30397 1 1056 . 1 . 1 85 85 LYS CA C 13 61.137 0.039 . 1 . . . . A 85 LYS CA . 30397 1 1057 . 1 . 1 85 85 LYS CB C 13 32.938 0.004 . 1 . . . . A 85 LYS CB . 30397 1 1058 . 1 . 1 85 85 LYS CG C 13 25.328 0.002 . 1 . . . . A 85 LYS CG . 30397 1 1059 . 1 . 1 85 85 LYS CD C 13 28.249 0.002 . 1 . . . . A 85 LYS CD . 30397 1 1060 . 1 . 1 85 85 LYS CE C 13 42.150 0.035 . 1 . . . . A 85 LYS CE . 30397 1 1061 . 1 . 1 85 85 LYS N N 15 121.962 0.002 . 1 . . . . A 85 LYS N . 30397 1 1062 . 1 . 1 86 86 LYS H H 1 6.994 0.007 . 1 . . . . A 86 LYS H . 30397 1 1063 . 1 . 1 86 86 LYS HA H 1 4.190 0.019 . 1 . . . . A 86 LYS HA . 30397 1 1064 . 1 . 1 86 86 LYS HB2 H 1 1.891 0.001 . 1 . . . . A 86 LYS HB2 . 30397 1 1065 . 1 . 1 86 86 LYS HB3 H 1 1.891 0.001 . 1 . . . . A 86 LYS HB3 . 30397 1 1066 . 1 . 1 86 86 LYS HG2 H 1 1.480 0.000 . 1 . . . . A 86 LYS HG2 . 30397 1 1067 . 1 . 1 86 86 LYS HG3 H 1 1.481 0.001 . 1 . . . . A 86 LYS HG3 . 30397 1 1068 . 1 . 1 86 86 LYS HD2 H 1 1.754 0.001 . 1 . . . . A 86 LYS HD2 . 30397 1 1069 . 1 . 1 86 86 LYS HD3 H 1 1.754 0.001 . 1 . . . . A 86 LYS HD3 . 30397 1 1070 . 1 . 1 86 86 LYS C C 13 177.812 0.000 . 1 . . . . A 86 LYS C . 30397 1 1071 . 1 . 1 86 86 LYS CA C 13 58.601 0.117 . 1 . . . . A 86 LYS CA . 30397 1 1072 . 1 . 1 86 86 LYS CB C 13 31.220 0.000 . 1 . . . . A 86 LYS CB . 30397 1 1073 . 1 . 1 86 86 LYS CG C 13 25.361 0.002 . 1 . . . . A 86 LYS CG . 30397 1 1074 . 1 . 1 86 86 LYS CD C 13 29.168 0.002 . 1 . . . . A 86 LYS CD . 30397 1 1075 . 1 . 1 86 86 LYS N N 15 115.212 0.002 . 1 . . . . A 86 LYS N . 30397 1 1076 . 1 . 1 87 87 ASP H H 1 8.057 0.006 . 1 . . . . A 87 ASP H . 30397 1 1077 . 1 . 1 87 87 ASP HA H 1 4.410 0.009 . 1 . . . . A 87 ASP HA . 30397 1 1078 . 1 . 1 87 87 ASP HB2 H 1 1.827 0.006 . 1 . . . . A 87 ASP HB2 . 30397 1 1079 . 1 . 1 87 87 ASP HB3 H 1 1.827 0.006 . 1 . . . . A 87 ASP HB3 . 30397 1 1080 . 1 . 1 87 87 ASP C C 13 179.758 0.000 . 1 . . . . A 87 ASP C . 30397 1 1081 . 1 . 1 87 87 ASP CA C 13 58.045 0.017 . 1 . . . . A 87 ASP CA . 30397 1 1082 . 1 . 1 87 87 ASP CB C 13 40.747 0.081 . 1 . . . . A 87 ASP CB . 30397 1 1083 . 1 . 1 87 87 ASP N N 15 120.038 0.053 . 1 . . . . A 87 ASP N . 30397 1 1084 . 1 . 1 88 88 LEU H H 1 8.581 0.002 . 1 . . . . A 88 LEU H . 30397 1 1085 . 1 . 1 88 88 LEU HA H 1 4.235 0.013 . 1 . . . . A 88 LEU HA . 30397 1 1086 . 1 . 1 88 88 LEU HB2 H 1 1.852 0.004 . 1 . . . . A 88 LEU HB2 . 30397 1 1087 . 1 . 1 88 88 LEU HB3 H 1 1.853 0.004 . 1 . . . . A 88 LEU HB3 . 30397 1 1088 . 1 . 1 88 88 LEU HG H 1 1.477 0.001 . 1 . . . . A 88 LEU HG . 30397 1 1089 . 1 . 1 88 88 LEU HD11 H 1 0.997 0.000 . 1 . . . . A 88 LEU HD11 . 30397 1 1090 . 1 . 1 88 88 LEU HD12 H 1 0.997 0.000 . 1 . . . . A 88 LEU HD12 . 30397 1 1091 . 1 . 1 88 88 LEU HD13 H 1 0.997 0.000 . 1 . . . . A 88 LEU HD13 . 30397 1 1092 . 1 . 1 88 88 LEU HD21 H 1 0.996 0.001 . 1 . . . . A 88 LEU HD21 . 30397 1 1093 . 1 . 1 88 88 LEU HD22 H 1 0.996 0.001 . 1 . . . . A 88 LEU HD22 . 30397 1 1094 . 1 . 1 88 88 LEU HD23 H 1 0.996 0.001 . 1 . . . . A 88 LEU HD23 . 30397 1 1095 . 1 . 1 88 88 LEU C C 13 179.370 0.000 . 1 . . . . A 88 LEU C . 30397 1 1096 . 1 . 1 88 88 LEU CA C 13 57.986 0.161 . 1 . . . . A 88 LEU CA . 30397 1 1097 . 1 . 1 88 88 LEU CB C 13 41.750 0.173 . 1 . . . . A 88 LEU CB . 30397 1 1098 . 1 . 1 88 88 LEU CG C 13 27.397 0.066 . 1 . . . . A 88 LEU CG . 30397 1 1099 . 1 . 1 88 88 LEU CD1 C 13 25.014 0.000 . 1 . . . . A 88 LEU CD1 . 30397 1 1100 . 1 . 1 88 88 LEU CD2 C 13 25.014 0.000 . 1 . . . . A 88 LEU CD2 . 30397 1 1101 . 1 . 1 88 88 LEU N N 15 119.178 0.012 . 1 . . . . A 88 LEU N . 30397 1 1102 . 1 . 1 89 89 ALA H H 1 8.262 0.002 . 1 . . . . A 89 ALA H . 30397 1 1103 . 1 . 1 89 89 ALA HA H 1 4.160 0.022 . 1 . . . . A 89 ALA HA . 30397 1 1104 . 1 . 1 89 89 ALA HB1 H 1 1.713 0.017 . 1 . . . . A 89 ALA HB1 . 30397 1 1105 . 1 . 1 89 89 ALA HB2 H 1 1.713 0.017 . 1 . . . . A 89 ALA HB2 . 30397 1 1106 . 1 . 1 89 89 ALA HB3 H 1 1.713 0.017 . 1 . . . . A 89 ALA HB3 . 30397 1 1107 . 1 . 1 89 89 ALA C C 13 180.794 0.000 . 1 . . . . A 89 ALA C . 30397 1 1108 . 1 . 1 89 89 ALA CA C 13 55.412 0.090 . 1 . . . . A 89 ALA CA . 30397 1 1109 . 1 . 1 89 89 ALA CB C 13 18.125 0.007 . 1 . . . . A 89 ALA CB . 30397 1 1110 . 1 . 1 89 89 ALA N N 15 121.693 0.013 . 1 . . . . A 89 ALA N . 30397 1 1111 . 1 . 1 90 90 ALA H H 1 8.158 0.008 . 1 . . . . A 90 ALA H . 30397 1 1112 . 1 . 1 90 90 ALA HA H 1 4.261 0.014 . 1 . . . . A 90 ALA HA . 30397 1 1113 . 1 . 1 90 90 ALA HB1 H 1 1.743 0.005 . 1 . . . . A 90 ALA HB1 . 30397 1 1114 . 1 . 1 90 90 ALA HB2 H 1 1.743 0.005 . 1 . . . . A 90 ALA HB2 . 30397 1 1115 . 1 . 1 90 90 ALA HB3 H 1 1.743 0.005 . 1 . . . . A 90 ALA HB3 . 30397 1 1116 . 1 . 1 90 90 ALA C C 13 180.464 0.000 . 1 . . . . A 90 ALA C . 30397 1 1117 . 1 . 1 90 90 ALA CA C 13 55.416 0.023 . 1 . . . . A 90 ALA CA . 30397 1 1118 . 1 . 1 90 90 ALA CB C 13 18.148 0.008 . 1 . . . . A 90 ALA CB . 30397 1 1119 . 1 . 1 90 90 ALA N N 15 121.736 0.041 . 1 . . . . A 90 ALA N . 30397 1 1120 . 1 . 1 91 91 MET H H 1 7.907 0.009 . 1 . . . . A 91 MET H . 30397 1 1121 . 1 . 1 91 91 MET HG2 H 1 2.743 0.000 . 1 . . . . A 91 MET HG2 . 30397 1 1122 . 1 . 1 91 91 MET HG3 H 1 2.743 0.000 . 1 . . . . A 91 MET HG3 . 30397 1 1123 . 1 . 1 91 91 MET C C 13 178.033 0.000 . 1 . . . . A 91 MET C . 30397 1 1124 . 1 . 1 91 91 MET CA C 13 60.681 0.000 . 1 . . . . A 91 MET CA . 30397 1 1125 . 1 . 1 91 91 MET CB C 13 34.105 0.000 . 1 . . . . A 91 MET CB . 30397 1 1126 . 1 . 1 91 91 MET CG C 13 34.585 0.000 . 1 . . . . A 91 MET CG . 30397 1 1127 . 1 . 1 91 91 MET N N 15 117.571 0.027 . 1 . . . . A 91 MET N . 30397 1 1128 . 1 . 1 92 92 LEU H H 1 8.285 0.003 . 1 . . . . A 92 LEU H . 30397 1 1129 . 1 . 1 92 92 LEU HA H 1 4.359 0.005 . 1 . . . . A 92 LEU HA . 30397 1 1130 . 1 . 1 92 92 LEU HB2 H 1 1.816 0.004 . 1 . . . . A 92 LEU HB2 . 30397 1 1131 . 1 . 1 92 92 LEU HB3 H 1 1.816 0.004 . 1 . . . . A 92 LEU HB3 . 30397 1 1132 . 1 . 1 92 92 LEU HG H 1 1.552 0.002 . 1 . . . . A 92 LEU HG . 30397 1 1133 . 1 . 1 92 92 LEU HD11 H 1 0.991 0.000 . 1 . . . . A 92 LEU HD11 . 30397 1 1134 . 1 . 1 92 92 LEU HD12 H 1 0.991 0.000 . 1 . . . . A 92 LEU HD12 . 30397 1 1135 . 1 . 1 92 92 LEU HD13 H 1 0.991 0.000 . 1 . . . . A 92 LEU HD13 . 30397 1 1136 . 1 . 1 92 92 LEU HD21 H 1 0.991 0.000 . 1 . . . . A 92 LEU HD21 . 30397 1 1137 . 1 . 1 92 92 LEU HD22 H 1 0.991 0.000 . 1 . . . . A 92 LEU HD22 . 30397 1 1138 . 1 . 1 92 92 LEU HD23 H 1 0.991 0.000 . 1 . . . . A 92 LEU HD23 . 30397 1 1139 . 1 . 1 92 92 LEU C C 13 178.304 0.000 . 1 . . . . A 92 LEU C . 30397 1 1140 . 1 . 1 92 92 LEU CA C 13 58.057 0.009 . 1 . . . . A 92 LEU CA . 30397 1 1141 . 1 . 1 92 92 LEU CB C 13 41.351 0.005 . 1 . . . . A 92 LEU CB . 30397 1 1142 . 1 . 1 92 92 LEU CG C 13 27.363 0.065 . 1 . . . . A 92 LEU CG . 30397 1 1143 . 1 . 1 92 92 LEU CD1 C 13 25.030 0.000 . 1 . . . . A 92 LEU CD1 . 30397 1 1144 . 1 . 1 92 92 LEU CD2 C 13 25.030 0.000 . 1 . . . . A 92 LEU CD2 . 30397 1 1145 . 1 . 1 92 92 LEU N N 15 118.577 0.074 . 1 . . . . A 92 LEU N . 30397 1 1146 . 1 . 1 93 93 ARG H H 1 8.128 0.007 . 1 . . . . A 93 ARG H . 30397 1 1147 . 1 . 1 93 93 ARG HA H 1 4.162 0.022 . 1 . . . . A 93 ARG HA . 30397 1 1148 . 1 . 1 93 93 ARG HB2 H 1 2.071 0.010 . 1 . . . . A 93 ARG HB2 . 30397 1 1149 . 1 . 1 93 93 ARG HB3 H 1 2.071 0.010 . 1 . . . . A 93 ARG HB3 . 30397 1 1150 . 1 . 1 93 93 ARG HG2 H 1 1.699 0.002 . 1 . . . . A 93 ARG HG2 . 30397 1 1151 . 1 . 1 93 93 ARG HG3 H 1 1.699 0.002 . 1 . . . . A 93 ARG HG3 . 30397 1 1152 . 1 . 1 93 93 ARG HD2 H 1 3.363 0.005 . 1 . . . . A 93 ARG HD2 . 30397 1 1153 . 1 . 1 93 93 ARG HD3 H 1 3.363 0.005 . 1 . . . . A 93 ARG HD3 . 30397 1 1154 . 1 . 1 93 93 ARG C C 13 179.578 0.000 . 1 . . . . A 93 ARG C . 30397 1 1155 . 1 . 1 93 93 ARG CA C 13 59.894 0.121 . 1 . . . . A 93 ARG CA . 30397 1 1156 . 1 . 1 93 93 ARG CB C 13 30.308 0.141 . 1 . . . . A 93 ARG CB . 30397 1 1157 . 1 . 1 93 93 ARG CG C 13 27.387 0.000 . 1 . . . . A 93 ARG CG . 30397 1 1158 . 1 . 1 93 93 ARG CD C 13 43.715 0.033 . 1 . . . . A 93 ARG CD . 30397 1 1159 . 1 . 1 93 93 ARG N N 15 119.262 0.006 . 1 . . . . A 93 ARG N . 30397 1 1160 . 1 . 1 94 94 ILE H H 1 7.889 0.003 . 1 . . . . A 94 ILE H . 30397 1 1161 . 1 . 1 94 94 ILE HA H 1 3.827 0.024 . 1 . . . . A 94 ILE HA . 30397 1 1162 . 1 . 1 94 94 ILE HB H 1 2.330 0.012 . 1 . . . . A 94 ILE HB . 30397 1 1163 . 1 . 1 94 94 ILE HG12 H 1 1.999 0.006 . 1 . . . . A 94 ILE HG12 . 30397 1 1164 . 1 . 1 94 94 ILE HG13 H 1 1.999 0.006 . 1 . . . . A 94 ILE HG13 . 30397 1 1165 . 1 . 1 94 94 ILE HG21 H 1 1.138 0.014 . 1 . . . . A 94 ILE HG21 . 30397 1 1166 . 1 . 1 94 94 ILE HG22 H 1 1.138 0.014 . 1 . . . . A 94 ILE HG22 . 30397 1 1167 . 1 . 1 94 94 ILE HG23 H 1 1.138 0.014 . 1 . . . . A 94 ILE HG23 . 30397 1 1168 . 1 . 1 94 94 ILE HD11 H 1 1.102 0.014 . 1 . . . . A 94 ILE HD11 . 30397 1 1169 . 1 . 1 94 94 ILE HD12 H 1 1.102 0.014 . 1 . . . . A 94 ILE HD12 . 30397 1 1170 . 1 . 1 94 94 ILE HD13 H 1 1.102 0.014 . 1 . . . . A 94 ILE HD13 . 30397 1 1171 . 1 . 1 94 94 ILE C C 13 178.893 0.000 . 1 . . . . A 94 ILE C . 30397 1 1172 . 1 . 1 94 94 ILE CA C 13 65.043 0.107 . 1 . . . . A 94 ILE CA . 30397 1 1173 . 1 . 1 94 94 ILE CB C 13 38.361 0.069 . 1 . . . . A 94 ILE CB . 30397 1 1174 . 1 . 1 94 94 ILE CG1 C 13 29.339 0.047 . 1 . . . . A 94 ILE CG1 . 30397 1 1175 . 1 . 1 94 94 ILE CG2 C 13 17.945 0.097 . 1 . . . . A 94 ILE CG2 . 30397 1 1176 . 1 . 1 94 94 ILE CD1 C 13 13.806 0.029 . 1 . . . . A 94 ILE CD1 . 30397 1 1177 . 1 . 1 94 94 ILE N N 15 119.867 0.005 . 1 . . . . A 94 ILE N . 30397 1 1178 . 1 . 1 95 95 ILE H H 1 7.825 0.003 . 1 . . . . A 95 ILE H . 30397 1 1179 . 1 . 1 95 95 ILE HA H 1 3.563 0.006 . 1 . . . . A 95 ILE HA . 30397 1 1180 . 1 . 1 95 95 ILE HB H 1 2.028 0.015 . 1 . . . . A 95 ILE HB . 30397 1 1181 . 1 . 1 95 95 ILE HG12 H 1 1.290 0.015 . 1 . . . . A 95 ILE HG12 . 30397 1 1182 . 1 . 1 95 95 ILE HG13 H 1 1.291 0.014 . 1 . . . . A 95 ILE HG13 . 30397 1 1183 . 1 . 1 95 95 ILE HG21 H 1 0.940 0.008 . 1 . . . . A 95 ILE HG21 . 30397 1 1184 . 1 . 1 95 95 ILE HG22 H 1 0.940 0.008 . 1 . . . . A 95 ILE HG22 . 30397 1 1185 . 1 . 1 95 95 ILE HG23 H 1 0.940 0.008 . 1 . . . . A 95 ILE HG23 . 30397 1 1186 . 1 . 1 95 95 ILE HD11 H 1 0.222 0.009 . 1 . . . . A 95 ILE HD11 . 30397 1 1187 . 1 . 1 95 95 ILE HD12 H 1 0.222 0.009 . 1 . . . . A 95 ILE HD12 . 30397 1 1188 . 1 . 1 95 95 ILE HD13 H 1 0.222 0.009 . 1 . . . . A 95 ILE HD13 . 30397 1 1189 . 1 . 1 95 95 ILE C C 13 178.108 0.000 . 1 . . . . A 95 ILE C . 30397 1 1190 . 1 . 1 95 95 ILE CA C 13 63.052 0.052 . 1 . . . . A 95 ILE CA . 30397 1 1191 . 1 . 1 95 95 ILE CB C 13 36.995 0.296 . 1 . . . . A 95 ILE CB . 30397 1 1192 . 1 . 1 95 95 ILE CG1 C 13 28.165 0.206 . 1 . . . . A 95 ILE CG1 . 30397 1 1193 . 1 . 1 95 95 ILE CG2 C 13 19.349 0.122 . 1 . . . . A 95 ILE CG2 . 30397 1 1194 . 1 . 1 95 95 ILE CD1 C 13 10.940 0.087 . 1 . . . . A 95 ILE CD1 . 30397 1 1195 . 1 . 1 95 95 ILE N N 15 119.546 0.002 . 1 . . . . A 95 ILE N . 30397 1 1196 . 1 . 1 96 96 ASN H H 1 8.567 0.004 . 1 . . . . A 96 ASN H . 30397 1 1197 . 1 . 1 96 96 ASN HA H 1 4.414 0.005 . 1 . . . . A 96 ASN HA . 30397 1 1198 . 1 . 1 96 96 ASN HB2 H 1 2.848 0.009 . 1 . . . . A 96 ASN HB2 . 30397 1 1199 . 1 . 1 96 96 ASN HB3 H 1 2.848 0.009 . 1 . . . . A 96 ASN HB3 . 30397 1 1200 . 1 . 1 96 96 ASN C C 13 176.207 0.000 . 1 . . . . A 96 ASN C . 30397 1 1201 . 1 . 1 96 96 ASN CA C 13 56.102 0.002 . 1 . . . . A 96 ASN CA . 30397 1 1202 . 1 . 1 96 96 ASN CB C 13 39.087 0.102 . 1 . . . . A 96 ASN CB . 30397 1 1203 . 1 . 1 96 96 ASN N N 15 117.077 0.017 . 1 . . . . A 96 ASN N . 30397 1 1204 . 1 . 1 97 97 ALA H H 1 7.423 0.009 . 1 . . . . A 97 ALA H . 30397 1 1205 . 1 . 1 97 97 ALA HA H 1 4.346 0.008 . 1 . . . . A 97 ALA HA . 30397 1 1206 . 1 . 1 97 97 ALA HB1 H 1 1.560 0.008 . 1 . . . . A 97 ALA HB1 . 30397 1 1207 . 1 . 1 97 97 ALA HB2 H 1 1.560 0.008 . 1 . . . . A 97 ALA HB2 . 30397 1 1208 . 1 . 1 97 97 ALA HB3 H 1 1.560 0.008 . 1 . . . . A 97 ALA HB3 . 30397 1 1209 . 1 . 1 97 97 ALA C C 13 178.100 0.000 . 1 . . . . A 97 ALA C . 30397 1 1210 . 1 . 1 97 97 ALA CA C 13 52.531 0.040 . 1 . . . . A 97 ALA CA . 30397 1 1211 . 1 . 1 97 97 ALA CB C 13 19.289 0.013 . 1 . . . . A 97 ALA CB . 30397 1 1212 . 1 . 1 97 97 ALA N N 15 118.369 0.005 . 1 . . . . A 97 ALA N . 30397 1 1213 . 1 . 1 98 98 ARG H H 1 7.492 0.003 . 1 . . . . A 98 ARG H . 30397 1 1214 . 1 . 1 98 98 ARG HA H 1 4.394 0.009 . 1 . . . . A 98 ARG HA . 30397 1 1215 . 1 . 1 98 98 ARG HB2 H 1 1.883 0.003 . 1 . . . . A 98 ARG HB2 . 30397 1 1216 . 1 . 1 98 98 ARG HB3 H 1 1.883 0.003 . 1 . . . . A 98 ARG HB3 . 30397 1 1217 . 1 . 1 98 98 ARG HG2 H 1 1.730 0.001 . 1 . . . . A 98 ARG HG2 . 30397 1 1218 . 1 . 1 98 98 ARG HG3 H 1 1.730 0.001 . 1 . . . . A 98 ARG HG3 . 30397 1 1219 . 1 . 1 98 98 ARG HD2 H 1 3.264 0.001 . 1 . . . . A 98 ARG HD2 . 30397 1 1220 . 1 . 1 98 98 ARG HD3 H 1 3.264 0.001 . 1 . . . . A 98 ARG HD3 . 30397 1 1221 . 1 . 1 98 98 ARG C C 13 176.267 0.000 . 1 . . . . A 98 ARG C . 30397 1 1222 . 1 . 1 98 98 ARG CA C 13 57.162 0.121 . 1 . . . . A 98 ARG CA . 30397 1 1223 . 1 . 1 98 98 ARG CB C 13 30.587 0.004 . 1 . . . . A 98 ARG CB . 30397 1 1224 . 1 . 1 98 98 ARG CG C 13 27.377 0.020 . 1 . . . . A 98 ARG CG . 30397 1 1225 . 1 . 1 98 98 ARG CD C 13 43.851 0.000 . 1 . . . . A 98 ARG CD . 30397 1 1226 . 1 . 1 98 98 ARG N N 15 119.551 0.024 . 1 . . . . A 98 ARG N . 30397 1 1227 . 1 . 1 99 99 LYS H H 1 8.506 0.002 . 1 . . . . A 99 LYS H . 30397 1 1228 . 1 . 1 99 99 LYS HA H 1 4.478 0.016 . 1 . . . . A 99 LYS HA . 30397 1 1229 . 1 . 1 99 99 LYS HB2 H 1 1.869 0.039 . 1 . . . . A 99 LYS HB2 . 30397 1 1230 . 1 . 1 99 99 LYS HB3 H 1 1.869 0.039 . 1 . . . . A 99 LYS HB3 . 30397 1 1231 . 1 . 1 99 99 LYS C C 13 176.720 0.000 . 1 . . . . A 99 LYS C . 30397 1 1232 . 1 . 1 99 99 LYS CA C 13 55.755 0.092 . 1 . . . . A 99 LYS CA . 30397 1 1233 . 1 . 1 99 99 LYS CB C 13 33.146 0.133 . 1 . . . . A 99 LYS CB . 30397 1 1234 . 1 . 1 99 99 LYS N N 15 123.455 0.003 . 1 . . . . A 99 LYS N . 30397 1 1235 . 1 . 1 100 100 GLU H H 1 8.586 0.003 . 1 . . . . A 100 GLU H . 30397 1 1236 . 1 . 1 100 100 GLU HA H 1 4.395 0.001 . 1 . . . . A 100 GLU HA . 30397 1 1237 . 1 . 1 100 100 GLU HB2 H 1 2.075 0.010 . 1 . . . . A 100 GLU HB2 . 30397 1 1238 . 1 . 1 100 100 GLU HB3 H 1 2.073 0.008 . 1 . . . . A 100 GLU HB3 . 30397 1 1239 . 1 . 1 100 100 GLU HG2 H 1 2.327 0.008 . 1 . . . . A 100 GLU HG2 . 30397 1 1240 . 1 . 1 100 100 GLU HG3 H 1 2.327 0.008 . 1 . . . . A 100 GLU HG3 . 30397 1 1241 . 1 . 1 100 100 GLU C C 13 176.180 0.000 . 1 . . . . A 100 GLU C . 30397 1 1242 . 1 . 1 100 100 GLU CA C 13 56.375 0.000 . 1 . . . . A 100 GLU CA . 30397 1 1243 . 1 . 1 100 100 GLU CB C 13 30.492 0.003 . 1 . . . . A 100 GLU CB . 30397 1 1244 . 1 . 1 100 100 GLU CG C 13 36.727 0.079 . 1 . . . . A 100 GLU CG . 30397 1 1245 . 1 . 1 100 100 GLU N N 15 123.366 0.004 . 1 . . . . A 100 GLU N . 30397 1 1246 . 1 . 1 101 101 LYS H H 1 8.482 0.001 . 1 . . . . A 101 LYS H . 30397 1 1247 . 1 . 1 101 101 LYS HA H 1 4.360 0.013 . 1 . . . . A 101 LYS HA . 30397 1 1248 . 1 . 1 101 101 LYS HB2 H 1 1.833 0.000 . 1 . . . . A 101 LYS HB2 . 30397 1 1249 . 1 . 1 101 101 LYS HB3 H 1 1.833 0.000 . 1 . . . . A 101 LYS HB3 . 30397 1 1250 . 1 . 1 101 101 LYS HG2 H 1 1.482 0.001 . 1 . . . . A 101 LYS HG2 . 30397 1 1251 . 1 . 1 101 101 LYS HG3 H 1 1.482 0.001 . 1 . . . . A 101 LYS HG3 . 30397 1 1252 . 1 . 1 101 101 LYS HD2 H 1 1.733 0.000 . 1 . . . . A 101 LYS HD2 . 30397 1 1253 . 1 . 1 101 101 LYS HD3 H 1 1.733 0.000 . 1 . . . . A 101 LYS HD3 . 30397 1 1254 . 1 . 1 101 101 LYS HE2 H 1 3.053 0.000 . 1 . . . . A 101 LYS HE2 . 30397 1 1255 . 1 . 1 101 101 LYS HE3 H 1 3.053 0.000 . 1 . . . . A 101 LYS HE3 . 30397 1 1256 . 1 . 1 101 101 LYS C C 13 176.355 0.000 . 1 . . . . A 101 LYS C . 30397 1 1257 . 1 . 1 101 101 LYS CA C 13 56.388 0.071 . 1 . . . . A 101 LYS CA . 30397 1 1258 . 1 . 1 101 101 LYS CB C 13 33.039 0.001 . 1 . . . . A 101 LYS CB . 30397 1 1259 . 1 . 1 101 101 LYS CG C 13 25.151 0.002 . 1 . . . . A 101 LYS CG . 30397 1 1260 . 1 . 1 101 101 LYS CD C 13 28.942 0.003 . 1 . . . . A 101 LYS CD . 30397 1 1261 . 1 . 1 101 101 LYS CE C 13 42.351 0.001 . 1 . . . . A 101 LYS CE . 30397 1 1262 . 1 . 1 101 101 LYS N N 15 123.995 0.006 . 1 . . . . A 101 LYS N . 30397 1 1263 . 1 . 1 102 102 LYS H H 1 8.366 0.002 . 1 . . . . A 102 LYS H . 30397 1 1264 . 1 . 1 102 102 LYS HA H 1 4.365 0.001 . 1 . . . . A 102 LYS HA . 30397 1 1265 . 1 . 1 102 102 LYS HB2 H 1 1.844 0.000 . 1 . . . . A 102 LYS HB2 . 30397 1 1266 . 1 . 1 102 102 LYS HB3 H 1 1.844 0.000 . 1 . . . . A 102 LYS HB3 . 30397 1 1267 . 1 . 1 102 102 LYS HG2 H 1 1.482 0.001 . 1 . . . . A 102 LYS HG2 . 30397 1 1268 . 1 . 1 102 102 LYS HG3 H 1 1.482 0.001 . 1 . . . . A 102 LYS HG3 . 30397 1 1269 . 1 . 1 102 102 LYS HD2 H 1 1.733 0.000 . 1 . . . . A 102 LYS HD2 . 30397 1 1270 . 1 . 1 102 102 LYS HD3 H 1 1.733 0.000 . 1 . . . . A 102 LYS HD3 . 30397 1 1271 . 1 . 1 102 102 LYS HE2 H 1 3.053 0.000 . 1 . . . . A 102 LYS HE2 . 30397 1 1272 . 1 . 1 102 102 LYS HE3 H 1 3.053 0.000 . 1 . . . . A 102 LYS HE3 . 30397 1 1273 . 1 . 1 102 102 LYS C C 13 176.327 0.000 . 1 . . . . A 102 LYS C . 30397 1 1274 . 1 . 1 102 102 LYS CA C 13 56.426 0.001 . 1 . . . . A 102 LYS CA . 30397 1 1275 . 1 . 1 102 102 LYS CB C 13 32.951 0.002 . 1 . . . . A 102 LYS CB . 30397 1 1276 . 1 . 1 102 102 LYS CG C 13 25.350 0.000 . 1 . . . . A 102 LYS CG . 30397 1 1277 . 1 . 1 102 102 LYS CD C 13 29.440 0.000 . 1 . . . . A 102 LYS CD . 30397 1 1278 . 1 . 1 102 102 LYS CE C 13 42.263 0.004 . 1 . . . . A 102 LYS CE . 30397 1 1279 . 1 . 1 102 102 LYS N N 15 123.293 0.021 . 1 . . . . A 102 LYS N . 30397 1 1280 . 1 . 1 103 103 ARG H H 1 8.408 0.001 . 1 . . . . A 103 ARG H . 30397 1 1281 . 1 . 1 103 103 ARG HA H 1 4.390 0.000 . 1 . . . . A 103 ARG HA . 30397 1 1282 . 1 . 1 103 103 ARG HB2 H 1 1.883 0.000 . 1 . . . . A 103 ARG HB2 . 30397 1 1283 . 1 . 1 103 103 ARG HB3 H 1 1.883 0.000 . 1 . . . . A 103 ARG HB3 . 30397 1 1284 . 1 . 1 103 103 ARG HG2 H 1 1.699 0.001 . 1 . . . . A 103 ARG HG2 . 30397 1 1285 . 1 . 1 103 103 ARG HG3 H 1 1.699 0.001 . 1 . . . . A 103 ARG HG3 . 30397 1 1286 . 1 . 1 103 103 ARG HD2 H 1 3.264 0.000 . 1 . . . . A 103 ARG HD2 . 30397 1 1287 . 1 . 1 103 103 ARG HD3 H 1 3.264 0.000 . 1 . . . . A 103 ARG HD3 . 30397 1 1288 . 1 . 1 103 103 ARG C C 13 175.362 0.000 . 1 . . . . A 103 ARG C . 30397 1 1289 . 1 . 1 103 103 ARG CA C 13 56.278 0.004 . 1 . . . . A 103 ARG CA . 30397 1 1290 . 1 . 1 103 103 ARG CB C 13 30.812 0.002 . 1 . . . . A 103 ARG CB . 30397 1 1291 . 1 . 1 103 103 ARG CG C 13 27.018 0.045 . 1 . . . . A 103 ARG CG . 30397 1 1292 . 1 . 1 103 103 ARG CD C 13 43.314 0.000 . 1 . . . . A 103 ARG CD . 30397 1 1293 . 1 . 1 103 103 ARG N N 15 123.520 0.007 . 1 . . . . A 103 ARG N . 30397 1 1294 . 1 . 1 104 104 ARG H H 1 7.964 0.005 . 1 . . . . A 104 ARG H . 30397 1 1295 . 1 . 1 104 104 ARG HA H 1 4.210 0.004 . 1 . . . . A 104 ARG HA . 30397 1 1296 . 1 . 1 104 104 ARG HB2 H 1 1.880 0.001 . 2 . . . . A 104 ARG HB2 . 30397 1 1297 . 1 . 1 104 104 ARG HB3 H 1 1.760 0.009 . 2 . . . . A 104 ARG HB3 . 30397 1 1298 . 1 . 1 104 104 ARG HG2 H 1 1.645 0.001 . 1 . . . . A 104 ARG HG2 . 30397 1 1299 . 1 . 1 104 104 ARG HG3 H 1 1.645 0.001 . 1 . . . . A 104 ARG HG3 . 30397 1 1300 . 1 . 1 104 104 ARG HD2 H 1 3.249 0.001 . 1 . . . . A 104 ARG HD2 . 30397 1 1301 . 1 . 1 104 104 ARG HD3 H 1 3.249 0.001 . 1 . . . . A 104 ARG HD3 . 30397 1 1302 . 1 . 1 104 104 ARG C C 13 180.869 0.000 . 1 . . . . A 104 ARG C . 30397 1 1303 . 1 . 1 104 104 ARG CA C 13 57.615 0.026 . 1 . . . . A 104 ARG CA . 30397 1 1304 . 1 . 1 104 104 ARG CB C 13 31.357 0.011 . 1 . . . . A 104 ARG CB . 30397 1 1305 . 1 . 1 104 104 ARG CG C 13 27.193 0.001 . 1 . . . . A 104 ARG CG . 30397 1 1306 . 1 . 1 104 104 ARG CD C 13 43.389 0.000 . 1 . . . . A 104 ARG CD . 30397 1 1307 . 1 . 1 104 104 ARG N N 15 127.391 0.003 . 1 . . . . A 104 ARG N . 30397 1 stop_ save_