data_34139 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34139 _Entry.Title ; LysF1 sh3b domain structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-19 _Entry.Accession_date 2017-05-19 _Entry.Last_release_date 2017-09-11 _Entry.Original_release_date 2017-09-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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. Benesik M. . . . 34139 2 J. Novacek J. . . . 34139 3 L. Janda L. . . . 34139 4 R. Dopitova R. . . . 34139 5 M. Pernisova M. . . . 34139 6 K. Melkova K. . . . 34139 7 L. Tisakova L. . . . 34139 8 J. Doskar J. . . . 34139 9 L. Zidek L. . . . 34139 10 J. Hejatko J. . . . 34139 11 R. Pantucek R. . . . 34139 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID endolysin . 34139 hydrolase . 34139 sh3b . 34139 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34139 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 439 34139 '15N chemical shifts' 111 34139 '1H chemical shifts' 695 34139 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 . . 2018-02-26 2017-05-19 update BMRB 'update entry citation' 34139 1 . . 2017-09-15 2017-05-19 original author 'original release' 34139 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5O1Q 'BMRB Entry Tracking System' 34139 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34139 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s11262-017-1507-2 _Citation.PubMed_ID 28852930 _Citation.Full_citation . _Citation.Title ; Role of SH3b binding domain in a natural deletion mutant of Kayvirus endolysin LysF1 with a broad range of lytic activity. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Virus Genes' _Citation.Journal_name_full . _Citation.Journal_volume 54 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1572-994X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 130 _Citation.Page_last 139 _Citation.Year 2018 _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. Benesik M. . . . 34139 1 2 J. Novacek J. . . . 34139 1 3 L. Janda L. . . . 34139 1 4 R. Dopitova R. . . . 34139 1 5 M. Pernisova M. . . . 34139 1 6 K. Melkova K. . . . 34139 1 7 L. Tisakova L. . . . 34139 1 8 J. Doskar J. . . . 34139 1 9 L. Zidek L. . . . 34139 1 10 J. Hejatko J. . . . 34139 1 11 R. Pantucek R. . . . 34139 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34139 _Assembly.ID 1 _Assembly.Name 'sh3b domain' _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 1 $entity_1 A A yes . . . . . . 34139 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34139 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ETPATRPVTGSWKKNQYGTW YKPENATFVNGNQPIVTRIG SPFLNAPVGGNLPAGATIVY DEVCIQAGHIWIGYNAYNGN RVYCPVRTCQGVPPNQIPGV AWGVFK ; _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11530.995 _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 . GLU . 34139 1 2 . THR . 34139 1 3 . PRO . 34139 1 4 . ALA . 34139 1 5 . THR . 34139 1 6 . ARG . 34139 1 7 . PRO . 34139 1 8 . VAL . 34139 1 9 . THR . 34139 1 10 . GLY . 34139 1 11 . SER . 34139 1 12 . TRP . 34139 1 13 . LYS . 34139 1 14 . LYS . 34139 1 15 . ASN . 34139 1 16 . GLN . 34139 1 17 . TYR . 34139 1 18 . GLY . 34139 1 19 . THR . 34139 1 20 . TRP . 34139 1 21 . TYR . 34139 1 22 . LYS . 34139 1 23 . PRO . 34139 1 24 . GLU . 34139 1 25 . ASN . 34139 1 26 . ALA . 34139 1 27 . THR . 34139 1 28 . PHE . 34139 1 29 . VAL . 34139 1 30 . ASN . 34139 1 31 . GLY . 34139 1 32 . ASN . 34139 1 33 . GLN . 34139 1 34 . PRO . 34139 1 35 . ILE . 34139 1 36 . VAL . 34139 1 37 . THR . 34139 1 38 . ARG . 34139 1 39 . ILE . 34139 1 40 . GLY . 34139 1 41 . SER . 34139 1 42 . PRO . 34139 1 43 . PHE . 34139 1 44 . LEU . 34139 1 45 . ASN . 34139 1 46 . ALA . 34139 1 47 . PRO . 34139 1 48 . VAL . 34139 1 49 . GLY . 34139 1 50 . GLY . 34139 1 51 . ASN . 34139 1 52 . LEU . 34139 1 53 . PRO . 34139 1 54 . ALA . 34139 1 55 . GLY . 34139 1 56 . ALA . 34139 1 57 . THR . 34139 1 58 . ILE . 34139 1 59 . VAL . 34139 1 60 . TYR . 34139 1 61 . ASP . 34139 1 62 . GLU . 34139 1 63 . VAL . 34139 1 64 . CYS . 34139 1 65 . ILE . 34139 1 66 . GLN . 34139 1 67 . ALA . 34139 1 68 . GLY . 34139 1 69 . HIS . 34139 1 70 . ILE . 34139 1 71 . TRP . 34139 1 72 . ILE . 34139 1 73 . GLY . 34139 1 74 . TYR . 34139 1 75 . ASN . 34139 1 76 . ALA . 34139 1 77 . TYR . 34139 1 78 . ASN . 34139 1 79 . GLY . 34139 1 80 . ASN . 34139 1 81 . ARG . 34139 1 82 . VAL . 34139 1 83 . TYR . 34139 1 84 . CYS . 34139 1 85 . PRO . 34139 1 86 . VAL . 34139 1 87 . ARG . 34139 1 88 . THR . 34139 1 89 . CYS . 34139 1 90 . GLN . 34139 1 91 . GLY . 34139 1 92 . VAL . 34139 1 93 . PRO . 34139 1 94 . PRO . 34139 1 95 . ASN . 34139 1 96 . GLN . 34139 1 97 . ILE . 34139 1 98 . PRO . 34139 1 99 . GLY . 34139 1 100 . VAL . 34139 1 101 . ALA . 34139 1 102 . TRP . 34139 1 103 . GLY . 34139 1 104 . VAL . 34139 1 105 . PHE . 34139 1 106 . LYS . 34139 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 . GLU 1 1 34139 1 . THR 2 2 34139 1 . PRO 3 3 34139 1 . ALA 4 4 34139 1 . THR 5 5 34139 1 . ARG 6 6 34139 1 . PRO 7 7 34139 1 . VAL 8 8 34139 1 . THR 9 9 34139 1 . GLY 10 10 34139 1 . SER 11 11 34139 1 . TRP 12 12 34139 1 . LYS 13 13 34139 1 . LYS 14 14 34139 1 . ASN 15 15 34139 1 . GLN 16 16 34139 1 . TYR 17 17 34139 1 . GLY 18 18 34139 1 . THR 19 19 34139 1 . TRP 20 20 34139 1 . TYR 21 21 34139 1 . LYS 22 22 34139 1 . PRO 23 23 34139 1 . GLU 24 24 34139 1 . ASN 25 25 34139 1 . ALA 26 26 34139 1 . THR 27 27 34139 1 . PHE 28 28 34139 1 . VAL 29 29 34139 1 . ASN 30 30 34139 1 . GLY 31 31 34139 1 . ASN 32 32 34139 1 . GLN 33 33 34139 1 . PRO 34 34 34139 1 . ILE 35 35 34139 1 . VAL 36 36 34139 1 . THR 37 37 34139 1 . ARG 38 38 34139 1 . ILE 39 39 34139 1 . GLY 40 40 34139 1 . SER 41 41 34139 1 . PRO 42 42 34139 1 . PHE 43 43 34139 1 . LEU 44 44 34139 1 . ASN 45 45 34139 1 . ALA 46 46 34139 1 . PRO 47 47 34139 1 . VAL 48 48 34139 1 . GLY 49 49 34139 1 . GLY 50 50 34139 1 . ASN 51 51 34139 1 . LEU 52 52 34139 1 . PRO 53 53 34139 1 . ALA 54 54 34139 1 . GLY 55 55 34139 1 . ALA 56 56 34139 1 . THR 57 57 34139 1 . ILE 58 58 34139 1 . VAL 59 59 34139 1 . TYR 60 60 34139 1 . ASP 61 61 34139 1 . GLU 62 62 34139 1 . VAL 63 63 34139 1 . CYS 64 64 34139 1 . ILE 65 65 34139 1 . GLN 66 66 34139 1 . ALA 67 67 34139 1 . GLY 68 68 34139 1 . HIS 69 69 34139 1 . ILE 70 70 34139 1 . TRP 71 71 34139 1 . ILE 72 72 34139 1 . GLY 73 73 34139 1 . TYR 74 74 34139 1 . ASN 75 75 34139 1 . ALA 76 76 34139 1 . TYR 77 77 34139 1 . ASN 78 78 34139 1 . GLY 79 79 34139 1 . ASN 80 80 34139 1 . ARG 81 81 34139 1 . VAL 82 82 34139 1 . TYR 83 83 34139 1 . CYS 84 84 34139 1 . PRO 85 85 34139 1 . VAL 86 86 34139 1 . ARG 87 87 34139 1 . THR 88 88 34139 1 . CYS 89 89 34139 1 . GLN 90 90 34139 1 . GLY 91 91 34139 1 . VAL 92 92 34139 1 . PRO 93 93 34139 1 . PRO 94 94 34139 1 . ASN 95 95 34139 1 . GLN 96 96 34139 1 . ILE 97 97 34139 1 . PRO 98 98 34139 1 . GLY 99 99 34139 1 . VAL 100 100 34139 1 . ALA 101 101 34139 1 . TRP 102 102 34139 1 . GLY 103 103 34139 1 . VAL 104 104 34139 1 . PHE 105 105 34139 1 . LYS 106 106 34139 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 34139 _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 . 1857843 organism . Kayvirus Kayvirus . . Viruses . Kayvirus . . . . . . . . . . . . . . 34139 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 34139 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34139 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34139 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM Na-phosphate, 0.25 mM [U-99% 13C; U-99% 15N] sh3b domain, 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 Na-phosphate 'natural abundance' . . . . . . 20 . . mM . . . . 34139 1 2 'sh3b domain' '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . . 0.25 . . mM . . . . 34139 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 34139 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 34139 1 pH 6.8 . pH 34139 1 pressure 1 . atm 34139 1 temperature 298 . K 34139 1 stop_ save_ ############################ # Computer software used # ############################ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34139 _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' . . 34139 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34139 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34139 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34139 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34139 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34139 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34139 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34139 4 stop_ save_ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34139 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34139 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34139 1 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 34139 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _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 34139 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 34139 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceII . 600 . . . 34139 1 2 NMR_spectrometer_2 Bruker AvanceII . 950 . . . 34139 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 34139 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34139 1 2 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34139 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34139 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34139 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34139 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34139 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34139 1 8 '3D HNH NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34139 1 9 '3D HCH NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34139 1 10 '3D HCH NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34139 1 11 '1D H' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34139 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 34139 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34139 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 1.0 . . . . . 34139 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34139 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 34139 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 34139 1 2 '3D HN(CA)CO' . . . 34139 1 3 '3D HNCACB' . . . 34139 1 4 '3D CBCA(CO)NH' . . . 34139 1 5 '3D HNCA' . . . 34139 1 6 '3D HN(CO)CA' . . . 34139 1 7 '3D HCCH-TOCSY' . . . 34139 1 8 '3D HNH NOESY' . . . 34139 1 9 '3D HCH NOESY' . . . 34139 1 10 '3D HCH NOESY' . . . 34139 1 11 '1D H' . . . 34139 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU HA H 1 4.416 0.006 . . . . . . A 1 GLU HA . 34139 1 2 . 1 1 1 1 GLU HB2 H 1 2.033 0.001 . . . . . . A 1 GLU HB2 . 34139 1 3 . 1 1 1 1 GLU HB3 H 1 1.933 0.002 . . . . . . A 1 GLU HB3 . 34139 1 4 . 1 1 1 1 GLU HG2 H 1 2.263 0.002 . . . . . . A 1 GLU HG2 . 34139 1 5 . 1 1 1 1 GLU HG3 H 1 2.263 0.002 . . . . . . A 1 GLU HG3 . 34139 1 6 . 1 1 1 1 GLU C C 13 176.077 0.000 . . . . . . A 1 GLU C . 34139 1 7 . 1 1 1 1 GLU CA C 13 56.306 0.044 . . . . . . A 1 GLU CA . 34139 1 8 . 1 1 1 1 GLU CB C 13 30.552 0.023 . . . . . . A 1 GLU CB . 34139 1 9 . 1 1 1 1 GLU CG C 13 36.190 0.013 . . . . . . A 1 GLU CG . 34139 1 10 . 1 1 2 2 THR H H 1 8.465 0.002 . . . . . . A 2 THR H . 34139 1 11 . 1 1 2 2 THR HA H 1 4.600 0.000 . . . . . . A 2 THR HA . 34139 1 12 . 1 1 2 2 THR HB H 1 4.160 0.002 . . . . . . A 2 THR HB . 34139 1 13 . 1 1 2 2 THR HG21 H 1 1.245 0.001 . . . . . . A 2 THR HG21 . 34139 1 14 . 1 1 2 2 THR HG22 H 1 1.245 0.001 . . . . . . A 2 THR HG22 . 34139 1 15 . 1 1 2 2 THR HG23 H 1 1.245 0.001 . . . . . . A 2 THR HG23 . 34139 1 16 . 1 1 2 2 THR C C 13 172.816 0.000 . . . . . . A 2 THR C . 34139 1 17 . 1 1 2 2 THR CA C 13 59.867 0.047 . . . . . . A 2 THR CA . 34139 1 18 . 1 1 2 2 THR CB C 13 69.742 0.047 . . . . . . A 2 THR CB . 34139 1 19 . 1 1 2 2 THR CG2 C 13 21.384 0.053 . . . . . . A 2 THR CG2 . 34139 1 20 . 1 1 2 2 THR N N 15 118.977 0.016 . . . . . . A 2 THR N . 34139 1 21 . 1 1 3 3 PRO HA H 1 4.398 0.004 . . . . . . A 3 PRO HA . 34139 1 22 . 1 1 3 3 PRO HB2 H 1 2.315 0.004 . . . . . . A 3 PRO HB2 . 34139 1 23 . 1 1 3 3 PRO HB3 H 1 1.914 0.002 . . . . . . A 3 PRO HB3 . 34139 1 24 . 1 1 3 3 PRO HG2 H 1 2.049 0.004 . . . . . . A 3 PRO HG2 . 34139 1 25 . 1 1 3 3 PRO HG3 H 1 1.991 0.005 . . . . . . A 3 PRO HG3 . 34139 1 26 . 1 1 3 3 PRO HD2 H 1 3.875 0.002 . . . . . . A 3 PRO HD2 . 34139 1 27 . 1 1 3 3 PRO HD3 H 1 3.716 0.001 . . . . . . A 3 PRO HD3 . 34139 1 28 . 1 1 3 3 PRO C C 13 176.692 0.006 . . . . . . A 3 PRO C . 34139 1 29 . 1 1 3 3 PRO CA C 13 63.340 0.038 . . . . . . A 3 PRO CA . 34139 1 30 . 1 1 3 3 PRO CB C 13 32.143 0.036 . . . . . . A 3 PRO CB . 34139 1 31 . 1 1 3 3 PRO CG C 13 27.461 0.052 . . . . . . A 3 PRO CG . 34139 1 32 . 1 1 3 3 PRO CD C 13 51.112 0.075 . . . . . . A 3 PRO CD . 34139 1 33 . 1 1 4 4 ALA H H 1 8.413 0.002 . . . . . . A 4 ALA H . 34139 1 34 . 1 1 4 4 ALA HA H 1 4.326 0.006 . . . . . . A 4 ALA HA . 34139 1 35 . 1 1 4 4 ALA HB1 H 1 1.410 0.002 . . . . . . A 4 ALA HB1 . 34139 1 36 . 1 1 4 4 ALA HB2 H 1 1.410 0.002 . . . . . . A 4 ALA HB2 . 34139 1 37 . 1 1 4 4 ALA HB3 H 1 1.410 0.002 . . . . . . A 4 ALA HB3 . 34139 1 38 . 1 1 4 4 ALA C C 13 178.038 0.004 . . . . . . A 4 ALA C . 34139 1 39 . 1 1 4 4 ALA CA C 13 52.689 0.042 . . . . . . A 4 ALA CA . 34139 1 40 . 1 1 4 4 ALA CB C 13 19.235 0.033 . . . . . . A 4 ALA CB . 34139 1 41 . 1 1 4 4 ALA N N 15 124.116 0.019 . . . . . . A 4 ALA N . 34139 1 42 . 1 1 5 5 THR H H 1 8.072 0.003 . . . . . . A 5 THR H . 34139 1 43 . 1 1 5 5 THR HA H 1 4.266 0.003 . . . . . . A 5 THR HA . 34139 1 44 . 1 1 5 5 THR HB H 1 4.162 0.002 . . . . . . A 5 THR HB . 34139 1 45 . 1 1 5 5 THR HG21 H 1 1.171 0.001 . . . . . . A 5 THR HG21 . 34139 1 46 . 1 1 5 5 THR HG22 H 1 1.171 0.001 . . . . . . A 5 THR HG22 . 34139 1 47 . 1 1 5 5 THR HG23 H 1 1.171 0.001 . . . . . . A 5 THR HG23 . 34139 1 48 . 1 1 5 5 THR C C 13 174.300 0.003 . . . . . . A 5 THR C . 34139 1 49 . 1 1 5 5 THR CA C 13 61.636 0.059 . . . . . . A 5 THR CA . 34139 1 50 . 1 1 5 5 THR CB C 13 69.811 0.025 . . . . . . A 5 THR CB . 34139 1 51 . 1 1 5 5 THR CG2 C 13 21.771 0.010 . . . . . . A 5 THR CG2 . 34139 1 52 . 1 1 5 5 THR N N 15 113.124 0.021 . . . . . . A 5 THR N . 34139 1 53 . 1 1 6 6 ARG H H 1 8.280 0.002 . . . . . . A 6 ARG H . 34139 1 54 . 1 1 6 6 ARG HA H 1 4.647 0.000 . . . . . . A 6 ARG HA . 34139 1 55 . 1 1 6 6 ARG HB2 H 1 1.847 0.002 . . . . . . A 6 ARG HB2 . 34139 1 56 . 1 1 6 6 ARG HB3 H 1 1.742 0.003 . . . . . . A 6 ARG HB3 . 34139 1 57 . 1 1 6 6 ARG HG2 H 1 1.679 0.003 . . . . . . A 6 ARG HG2 . 34139 1 58 . 1 1 6 6 ARG HG3 H 1 1.679 0.003 . . . . . . A 6 ARG HG3 . 34139 1 59 . 1 1 6 6 ARG HD2 H 1 3.210 0.001 . . . . . . A 6 ARG HD2 . 34139 1 60 . 1 1 6 6 ARG HD3 H 1 3.210 0.001 . . . . . . A 6 ARG HD3 . 34139 1 61 . 1 1 6 6 ARG C C 13 174.095 0.000 . . . . . . A 6 ARG C . 34139 1 62 . 1 1 6 6 ARG CA C 13 53.967 0.014 . . . . . . A 6 ARG CA . 34139 1 63 . 1 1 6 6 ARG CB C 13 30.327 0.040 . . . . . . A 6 ARG CB . 34139 1 64 . 1 1 6 6 ARG CG C 13 26.816 0.045 . . . . . . A 6 ARG CG . 34139 1 65 . 1 1 6 6 ARG CD C 13 43.399 0.012 . . . . . . A 6 ARG CD . 34139 1 66 . 1 1 6 6 ARG N N 15 124.599 0.012 . . . . . . A 6 ARG N . 34139 1 67 . 1 1 7 7 PRO HA H 1 4.496 0.005 . . . . . . A 7 PRO HA . 34139 1 68 . 1 1 7 7 PRO HB2 H 1 2.298 0.003 . . . . . . A 7 PRO HB2 . 34139 1 69 . 1 1 7 7 PRO HB3 H 1 1.915 0.002 . . . . . . A 7 PRO HB3 . 34139 1 70 . 1 1 7 7 PRO HG2 H 1 2.034 0.002 . . . . . . A 7 PRO HG2 . 34139 1 71 . 1 1 7 7 PRO HG3 H 1 2.034 0.002 . . . . . . A 7 PRO HG3 . 34139 1 72 . 1 1 7 7 PRO HD2 H 1 3.839 0.003 . . . . . . A 7 PRO HD2 . 34139 1 73 . 1 1 7 7 PRO HD3 H 1 3.636 0.002 . . . . . . A 7 PRO HD3 . 34139 1 74 . 1 1 7 7 PRO C C 13 177.056 0.000 . . . . . . A 7 PRO C . 34139 1 75 . 1 1 7 7 PRO CA C 13 63.022 0.035 . . . . . . A 7 PRO CA . 34139 1 76 . 1 1 7 7 PRO CB C 13 32.123 0.048 . . . . . . A 7 PRO CB . 34139 1 77 . 1 1 7 7 PRO CG C 13 27.511 0.025 . . . . . . A 7 PRO CG . 34139 1 78 . 1 1 7 7 PRO CD C 13 50.677 0.031 . . . . . . A 7 PRO CD . 34139 1 79 . 1 1 8 8 VAL H H 1 8.437 0.004 . . . . . . A 8 VAL H . 34139 1 80 . 1 1 8 8 VAL HA H 1 4.199 0.001 . . . . . . A 8 VAL HA . 34139 1 81 . 1 1 8 8 VAL HB H 1 2.138 0.001 . . . . . . A 8 VAL HB . 34139 1 82 . 1 1 8 8 VAL HG11 H 1 0.981 0.003 . . . . . . A 8 VAL HG11 . 34139 1 83 . 1 1 8 8 VAL HG12 H 1 0.981 0.003 . . . . . . A 8 VAL HG12 . 34139 1 84 . 1 1 8 8 VAL HG13 H 1 0.981 0.003 . . . . . . A 8 VAL HG13 . 34139 1 85 . 1 1 8 8 VAL HG21 H 1 0.981 0.003 . . . . . . A 8 VAL HG21 . 34139 1 86 . 1 1 8 8 VAL HG22 H 1 0.981 0.003 . . . . . . A 8 VAL HG22 . 34139 1 87 . 1 1 8 8 VAL HG23 H 1 0.981 0.003 . . . . . . A 8 VAL HG23 . 34139 1 88 . 1 1 8 8 VAL C C 13 176.636 0.001 . . . . . . A 8 VAL C . 34139 1 89 . 1 1 8 8 VAL CA C 13 62.551 0.067 . . . . . . A 8 VAL CA . 34139 1 90 . 1 1 8 8 VAL CB C 13 32.761 0.043 . . . . . . A 8 VAL CB . 34139 1 91 . 1 1 8 8 VAL CG1 C 13 21.026 0.157 . . . . . . A 8 VAL CG1 . 34139 1 92 . 1 1 8 8 VAL CG2 C 13 21.026 0.157 . . . . . . A 8 VAL CG2 . 34139 1 93 . 1 1 8 8 VAL N N 15 120.904 0.019 . . . . . . A 8 VAL N . 34139 1 94 . 1 1 9 9 THR H H 1 8.204 0.002 . . . . . . A 9 THR H . 34139 1 95 . 1 1 9 9 THR HA H 1 4.368 0.001 . . . . . . A 9 THR HA . 34139 1 96 . 1 1 9 9 THR HB H 1 4.284 0.001 . . . . . . A 9 THR HB . 34139 1 97 . 1 1 9 9 THR HG21 H 1 1.158 0.000 . . . . . . A 9 THR HG21 . 34139 1 98 . 1 1 9 9 THR HG22 H 1 1.158 0.000 . . . . . . A 9 THR HG22 . 34139 1 99 . 1 1 9 9 THR HG23 H 1 1.158 0.000 . . . . . . A 9 THR HG23 . 34139 1 100 . 1 1 9 9 THR C C 13 174.821 0.000 . . . . . . A 9 THR C . 34139 1 101 . 1 1 9 9 THR CA C 13 61.695 0.041 . . . . . . A 9 THR CA . 34139 1 102 . 1 1 9 9 THR CB C 13 69.620 0.000 . . . . . . A 9 THR CB . 34139 1 103 . 1 1 9 9 THR CG2 C 13 21.439 0.003 . . . . . . A 9 THR CG2 . 34139 1 104 . 1 1 9 9 THR N N 15 116.591 0.030 . . . . . . A 9 THR N . 34139 1 105 . 1 1 10 10 GLY H H 1 8.354 0.000 . . . . . . A 10 GLY H . 34139 1 106 . 1 1 10 10 GLY N N 15 111.147 0.000 . . . . . . A 10 GLY N . 34139 1 107 . 1 1 11 11 SER HA H 1 4.505 0.007 . . . . . . A 11 SER HA . 34139 1 108 . 1 1 11 11 SER HB2 H 1 3.884 0.018 . . . . . . A 11 SER HB2 . 34139 1 109 . 1 1 11 11 SER HB3 H 1 3.765 0.008 . . . . . . A 11 SER HB3 . 34139 1 110 . 1 1 11 11 SER C C 13 173.844 0.000 . . . . . . A 11 SER C . 34139 1 111 . 1 1 11 11 SER CA C 13 58.000 0.064 . . . . . . A 11 SER CA . 34139 1 112 . 1 1 11 11 SER CB C 13 64.211 0.031 . . . . . . A 11 SER CB . 34139 1 113 . 1 1 12 12 TRP H H 1 8.178 0.003 . . . . . . A 12 TRP H . 34139 1 114 . 1 1 12 12 TRP HA H 1 4.555 0.008 . . . . . . A 12 TRP HA . 34139 1 115 . 1 1 12 12 TRP HB2 H 1 3.395 0.003 . . . . . . A 12 TRP HB2 . 34139 1 116 . 1 1 12 12 TRP HB3 H 1 3.184 0.008 . . . . . . A 12 TRP HB3 . 34139 1 117 . 1 1 12 12 TRP HD1 H 1 7.375 0.002 . . . . . . A 12 TRP HD1 . 34139 1 118 . 1 1 12 12 TRP HE1 H 1 10.104 0.000 . . . . . . A 12 TRP HE1 . 34139 1 119 . 1 1 12 12 TRP HE3 H 1 7.474 0.003 . . . . . . A 12 TRP HE3 . 34139 1 120 . 1 1 12 12 TRP HZ2 H 1 7.280 0.002 . . . . . . A 12 TRP HZ2 . 34139 1 121 . 1 1 12 12 TRP HZ3 H 1 6.955 0.002 . . . . . . A 12 TRP HZ3 . 34139 1 122 . 1 1 12 12 TRP HH2 H 1 6.854 0.001 . . . . . . A 12 TRP HH2 . 34139 1 123 . 1 1 12 12 TRP C C 13 176.505 0.004 . . . . . . A 12 TRP C . 34139 1 124 . 1 1 12 12 TRP CA C 13 58.068 0.065 . . . . . . A 12 TRP CA . 34139 1 125 . 1 1 12 12 TRP CB C 13 30.942 0.050 . . . . . . A 12 TRP CB . 34139 1 126 . 1 1 12 12 TRP CD1 C 13 127.851 0.053 . . . . . . A 12 TRP CD1 . 34139 1 127 . 1 1 12 12 TRP CE3 C 13 119.763 0.101 . . . . . . A 12 TRP CE3 . 34139 1 128 . 1 1 12 12 TRP CZ2 C 13 114.090 0.049 . . . . . . A 12 TRP CZ2 . 34139 1 129 . 1 1 12 12 TRP CZ3 C 13 121.914 0.076 . . . . . . A 12 TRP CZ3 . 34139 1 130 . 1 1 12 12 TRP CH2 C 13 124.601 0.042 . . . . . . A 12 TRP CH2 . 34139 1 131 . 1 1 12 12 TRP N N 15 121.726 0.014 . . . . . . A 12 TRP N . 34139 1 132 . 1 1 12 12 TRP NE1 N 15 128.710 0.000 . . . . . . A 12 TRP NE1 . 34139 1 133 . 1 1 13 13 LYS H H 1 8.754 0.005 . . . . . . A 13 LYS H . 34139 1 134 . 1 1 13 13 LYS HA H 1 4.627 0.008 . . . . . . A 13 LYS HA . 34139 1 135 . 1 1 13 13 LYS HB2 H 1 1.593 0.017 . . . . . . A 13 LYS HB2 . 34139 1 136 . 1 1 13 13 LYS HB3 H 1 0.996 0.008 . . . . . . A 13 LYS HB3 . 34139 1 137 . 1 1 13 13 LYS HG2 H 1 1.335 0.005 . . . . . . A 13 LYS HG2 . 34139 1 138 . 1 1 13 13 LYS HG3 H 1 1.335 0.005 . . . . . . A 13 LYS HG3 . 34139 1 139 . 1 1 13 13 LYS HD2 H 1 1.672 0.012 . . . . . . A 13 LYS HD2 . 34139 1 140 . 1 1 13 13 LYS HD3 H 1 1.672 0.012 . . . . . . A 13 LYS HD3 . 34139 1 141 . 1 1 13 13 LYS HE2 H 1 2.986 0.001 . . . . . . A 13 LYS HE2 . 34139 1 142 . 1 1 13 13 LYS HE3 H 1 2.986 0.001 . . . . . . A 13 LYS HE3 . 34139 1 143 . 1 1 13 13 LYS C C 13 172.856 0.004 . . . . . . A 13 LYS C . 34139 1 144 . 1 1 13 13 LYS CA C 13 55.151 0.049 . . . . . . A 13 LYS CA . 34139 1 145 . 1 1 13 13 LYS CB C 13 36.764 0.036 . . . . . . A 13 LYS CB . 34139 1 146 . 1 1 13 13 LYS CG C 13 25.472 0.068 . . . . . . A 13 LYS CG . 34139 1 147 . 1 1 13 13 LYS CD C 13 29.303 0.023 . . . . . . A 13 LYS CD . 34139 1 148 . 1 1 13 13 LYS CE C 13 42.318 0.022 . . . . . . A 13 LYS CE . 34139 1 149 . 1 1 13 13 LYS N N 15 123.186 0.013 . . . . . . A 13 LYS N . 34139 1 150 . 1 1 14 14 LYS H H 1 8.112 0.003 . . . . . . A 14 LYS H . 34139 1 151 . 1 1 14 14 LYS HA H 1 4.755 0.010 . . . . . . A 14 LYS HA . 34139 1 152 . 1 1 14 14 LYS HB2 H 1 0.826 0.009 . . . . . . A 14 LYS HB2 . 34139 1 153 . 1 1 14 14 LYS HB3 H 1 -0.544 0.007 . . . . . . A 14 LYS HB3 . 34139 1 154 . 1 1 14 14 LYS HG2 H 1 0.887 0.006 . . . . . . A 14 LYS HG2 . 34139 1 155 . 1 1 14 14 LYS HG3 H 1 -0.054 0.003 . . . . . . A 14 LYS HG3 . 34139 1 156 . 1 1 14 14 LYS HD2 H 1 1.271 0.002 . . . . . . A 14 LYS HD2 . 34139 1 157 . 1 1 14 14 LYS HD3 H 1 1.100 0.003 . . . . . . A 14 LYS HD3 . 34139 1 158 . 1 1 14 14 LYS HE2 H 1 2.739 0.003 . . . . . . A 14 LYS HE2 . 34139 1 159 . 1 1 14 14 LYS HE3 H 1 2.639 0.002 . . . . . . A 14 LYS HE3 . 34139 1 160 . 1 1 14 14 LYS C C 13 177.536 0.000 . . . . . . A 14 LYS C . 34139 1 161 . 1 1 14 14 LYS CA C 13 54.318 0.051 . . . . . . A 14 LYS CA . 34139 1 162 . 1 1 14 14 LYS CB C 13 33.413 0.035 . . . . . . A 14 LYS CB . 34139 1 163 . 1 1 14 14 LYS CG C 13 23.326 0.055 . . . . . . A 14 LYS CG . 34139 1 164 . 1 1 14 14 LYS CD C 13 28.983 0.043 . . . . . . A 14 LYS CD . 34139 1 165 . 1 1 14 14 LYS CE C 13 41.473 0.026 . . . . . . A 14 LYS CE . 34139 1 166 . 1 1 14 14 LYS N N 15 121.341 0.019 . . . . . . A 14 LYS N . 34139 1 167 . 1 1 15 15 ASN H H 1 8.576 0.002 . . . . . . A 15 ASN H . 34139 1 168 . 1 1 15 15 ASN HA H 1 5.060 0.006 . . . . . . A 15 ASN HA . 34139 1 169 . 1 1 15 15 ASN HB2 H 1 3.565 0.010 . . . . . . A 15 ASN HB2 . 34139 1 170 . 1 1 15 15 ASN HB3 H 1 2.939 0.007 . . . . . . A 15 ASN HB3 . 34139 1 171 . 1 1 15 15 ASN HD21 H 1 7.538 0.000 . . . . . . A 15 ASN HD21 . 34139 1 172 . 1 1 15 15 ASN HD22 H 1 7.863 0.000 . . . . . . A 15 ASN HD22 . 34139 1 173 . 1 1 15 15 ASN C C 13 177.539 0.000 . . . . . . A 15 ASN C . 34139 1 174 . 1 1 15 15 ASN CA C 13 50.793 0.033 . . . . . . A 15 ASN CA . 34139 1 175 . 1 1 15 15 ASN CB C 13 39.141 0.054 . . . . . . A 15 ASN CB . 34139 1 176 . 1 1 15 15 ASN N N 15 123.951 0.023 . . . . . . A 15 ASN N . 34139 1 177 . 1 1 15 15 ASN ND2 N 15 112.268 0.001 . . . . . . A 15 ASN ND2 . 34139 1 178 . 1 1 16 16 GLN HA H 1 4.064 0.006 . . . . . . A 16 GLN HA . 34139 1 179 . 1 1 16 16 GLN HB2 H 1 1.880 0.004 . . . . . . A 16 GLN HB2 . 34139 1 180 . 1 1 16 16 GLN HB3 H 1 1.754 0.003 . . . . . . A 16 GLN HB3 . 34139 1 181 . 1 1 16 16 GLN HG2 H 1 1.506 0.004 . . . . . . A 16 GLN HG2 . 34139 1 182 . 1 1 16 16 GLN HG3 H 1 1.506 0.004 . . . . . . A 16 GLN HG3 . 34139 1 183 . 1 1 16 16 GLN HE21 H 1 7.275 0.003 . . . . . . A 16 GLN HE21 . 34139 1 184 . 1 1 16 16 GLN HE22 H 1 6.835 0.002 . . . . . . A 16 GLN HE22 . 34139 1 185 . 1 1 16 16 GLN C C 13 175.859 0.000 . . . . . . A 16 GLN C . 34139 1 186 . 1 1 16 16 GLN CA C 13 57.786 0.035 . . . . . . A 16 GLN CA . 34139 1 187 . 1 1 16 16 GLN CB C 13 27.883 0.077 . . . . . . A 16 GLN CB . 34139 1 188 . 1 1 16 16 GLN CG C 13 32.335 0.013 . . . . . . A 16 GLN CG . 34139 1 189 . 1 1 16 16 GLN NE2 N 15 112.654 0.028 . . . . . . A 16 GLN NE2 . 34139 1 190 . 1 1 17 17 TYR H H 1 7.598 0.003 . . . . . . A 17 TYR H . 34139 1 191 . 1 1 17 17 TYR HA H 1 4.655 0.005 . . . . . . A 17 TYR HA . 34139 1 192 . 1 1 17 17 TYR HB2 H 1 3.487 0.010 . . . . . . A 17 TYR HB2 . 34139 1 193 . 1 1 17 17 TYR HB3 H 1 2.830 0.008 . . . . . . A 17 TYR HB3 . 34139 1 194 . 1 1 17 17 TYR HD1 H 1 6.995 0.002 . . . . . . A 17 TYR HD1 . 34139 1 195 . 1 1 17 17 TYR HE1 H 1 6.744 0.002 . . . . . . A 17 TYR HE1 . 34139 1 196 . 1 1 17 17 TYR C C 13 175.822 0.005 . . . . . . A 17 TYR C . 34139 1 197 . 1 1 17 17 TYR CA C 13 57.113 0.030 . . . . . . A 17 TYR CA . 34139 1 198 . 1 1 17 17 TYR CB C 13 37.972 0.034 . . . . . . A 17 TYR CB . 34139 1 199 . 1 1 17 17 TYR CD1 C 13 132.833 0.119 . . . . . . A 17 TYR CD1 . 34139 1 200 . 1 1 17 17 TYR CE1 C 13 118.530 0.042 . . . . . . A 17 TYR CE1 . 34139 1 201 . 1 1 17 17 TYR N N 15 119.281 0.019 . . . . . . A 17 TYR N . 34139 1 202 . 1 1 18 18 GLY H H 1 7.993 0.003 . . . . . . A 18 GLY H . 34139 1 203 . 1 1 18 18 GLY HA2 H 1 4.375 0.006 . . . . . . A 18 GLY HA2 . 34139 1 204 . 1 1 18 18 GLY HA3 H 1 3.346 0.004 . . . . . . A 18 GLY HA3 . 34139 1 205 . 1 1 18 18 GLY C C 13 173.323 0.000 . . . . . . A 18 GLY C . 34139 1 206 . 1 1 18 18 GLY CA C 13 45.133 0.018 . . . . . . A 18 GLY CA . 34139 1 207 . 1 1 18 18 GLY N N 15 106.365 0.010 . . . . . . A 18 GLY N . 34139 1 208 . 1 1 19 19 THR H H 1 7.790 0.004 . . . . . . A 19 THR H . 34139 1 209 . 1 1 19 19 THR HA H 1 4.189 0.010 . . . . . . A 19 THR HA . 34139 1 210 . 1 1 19 19 THR HB H 1 4.097 0.006 . . . . . . A 19 THR HB . 34139 1 211 . 1 1 19 19 THR HG21 H 1 1.082 0.007 . . . . . . A 19 THR HG21 . 34139 1 212 . 1 1 19 19 THR HG22 H 1 1.082 0.007 . . . . . . A 19 THR HG22 . 34139 1 213 . 1 1 19 19 THR HG23 H 1 1.082 0.007 . . . . . . A 19 THR HG23 . 34139 1 214 . 1 1 19 19 THR C C 13 173.969 0.009 . . . . . . A 19 THR C . 34139 1 215 . 1 1 19 19 THR CA C 13 62.132 0.067 . . . . . . A 19 THR CA . 34139 1 216 . 1 1 19 19 THR CB C 13 69.062 0.025 . . . . . . A 19 THR CB . 34139 1 217 . 1 1 19 19 THR CG2 C 13 23.717 0.024 . . . . . . A 19 THR CG2 . 34139 1 218 . 1 1 19 19 THR N N 15 120.043 0.023 . . . . . . A 19 THR N . 34139 1 219 . 1 1 20 20 TRP H H 1 8.058 0.003 . . . . . . A 20 TRP H . 34139 1 220 . 1 1 20 20 TRP HA H 1 5.712 0.007 . . . . . . A 20 TRP HA . 34139 1 221 . 1 1 20 20 TRP HB2 H 1 3.172 0.014 . . . . . . A 20 TRP HB2 . 34139 1 222 . 1 1 20 20 TRP HB3 H 1 3.025 0.012 . . . . . . A 20 TRP HB3 . 34139 1 223 . 1 1 20 20 TRP HD1 H 1 7.482 0.004 . . . . . . A 20 TRP HD1 . 34139 1 224 . 1 1 20 20 TRP HE1 H 1 10.271 0.006 . . . . . . A 20 TRP HE1 . 34139 1 225 . 1 1 20 20 TRP HE3 H 1 7.340 0.004 . . . . . . A 20 TRP HE3 . 34139 1 226 . 1 1 20 20 TRP HZ2 H 1 7.429 0.002 . . . . . . A 20 TRP HZ2 . 34139 1 227 . 1 1 20 20 TRP HZ3 H 1 6.880 0.002 . . . . . . A 20 TRP HZ3 . 34139 1 228 . 1 1 20 20 TRP HH2 H 1 7.135 0.004 . . . . . . A 20 TRP HH2 . 34139 1 229 . 1 1 20 20 TRP C C 13 176.008 0.006 . . . . . . A 20 TRP C . 34139 1 230 . 1 1 20 20 TRP CA C 13 56.565 0.048 . . . . . . A 20 TRP CA . 34139 1 231 . 1 1 20 20 TRP CB C 13 30.619 0.052 . . . . . . A 20 TRP CB . 34139 1 232 . 1 1 20 20 TRP CD1 C 13 127.047 0.134 . . . . . . A 20 TRP CD1 . 34139 1 233 . 1 1 20 20 TRP CE3 C 13 119.672 0.055 . . . . . . A 20 TRP CE3 . 34139 1 234 . 1 1 20 20 TRP CZ2 C 13 114.964 0.051 . . . . . . A 20 TRP CZ2 . 34139 1 235 . 1 1 20 20 TRP CZ3 C 13 121.370 0.065 . . . . . . A 20 TRP CZ3 . 34139 1 236 . 1 1 20 20 TRP CH2 C 13 124.783 0.144 . . . . . . A 20 TRP CH2 . 34139 1 237 . 1 1 20 20 TRP N N 15 129.726 0.027 . . . . . . A 20 TRP N . 34139 1 238 . 1 1 20 20 TRP NE1 N 15 129.146 0.018 . . . . . . A 20 TRP NE1 . 34139 1 239 . 1 1 21 21 TYR H H 1 10.349 0.002 . . . . . . A 21 TYR H . 34139 1 240 . 1 1 21 21 TYR HA H 1 6.351 0.007 . . . . . . A 21 TYR HA . 34139 1 241 . 1 1 21 21 TYR HB2 H 1 3.256 0.009 . . . . . . A 21 TYR HB2 . 34139 1 242 . 1 1 21 21 TYR HB3 H 1 2.889 0.011 . . . . . . A 21 TYR HB3 . 34139 1 243 . 1 1 21 21 TYR HD1 H 1 7.047 0.004 . . . . . . A 21 TYR HD1 . 34139 1 244 . 1 1 21 21 TYR HE1 H 1 6.562 0.003 . . . . . . A 21 TYR HE1 . 34139 1 245 . 1 1 21 21 TYR C C 13 173.622 0.004 . . . . . . A 21 TYR C . 34139 1 246 . 1 1 21 21 TYR CA C 13 56.336 0.085 . . . . . . A 21 TYR CA . 34139 1 247 . 1 1 21 21 TYR CB C 13 44.046 0.041 . . . . . . A 21 TYR CB . 34139 1 248 . 1 1 21 21 TYR CD1 C 13 133.902 0.054 . . . . . . A 21 TYR CD1 . 34139 1 249 . 1 1 21 21 TYR CE1 C 13 117.649 0.043 . . . . . . A 21 TYR CE1 . 34139 1 250 . 1 1 21 21 TYR N N 15 123.162 0.017 . . . . . . A 21 TYR N . 34139 1 251 . 1 1 22 22 LYS H H 1 8.916 0.005 . . . . . . A 22 LYS H . 34139 1 252 . 1 1 22 22 LYS HA H 1 4.764 0.002 . . . . . . A 22 LYS HA . 34139 1 253 . 1 1 22 22 LYS HB2 H 1 0.839 0.004 . . . . . . A 22 LYS HB2 . 34139 1 254 . 1 1 22 22 LYS HB3 H 1 0.733 0.003 . . . . . . A 22 LYS HB3 . 34139 1 255 . 1 1 22 22 LYS HG2 H 1 0.560 0.005 . . . . . . A 22 LYS HG2 . 34139 1 256 . 1 1 22 22 LYS HG3 H 1 0.368 0.004 . . . . . . A 22 LYS HG3 . 34139 1 257 . 1 1 22 22 LYS HD2 H 1 0.676 0.002 . . . . . . A 22 LYS HD2 . 34139 1 258 . 1 1 22 22 LYS HD3 H 1 0.000 0.002 . . . . . . A 22 LYS HD3 . 34139 1 259 . 1 1 22 22 LYS HE2 H 1 2.168 0.005 . . . . . . A 22 LYS HE2 . 34139 1 260 . 1 1 22 22 LYS HE3 H 1 2.168 0.005 . . . . . . A 22 LYS HE3 . 34139 1 261 . 1 1 22 22 LYS C C 13 172.546 0.000 . . . . . . A 22 LYS C . 34139 1 262 . 1 1 22 22 LYS CA C 13 53.741 0.055 . . . . . . A 22 LYS CA . 34139 1 263 . 1 1 22 22 LYS CB C 13 34.008 0.020 . . . . . . A 22 LYS CB . 34139 1 264 . 1 1 22 22 LYS CG C 13 22.360 0.035 . . . . . . A 22 LYS CG . 34139 1 265 . 1 1 22 22 LYS CD C 13 28.698 0.021 . . . . . . A 22 LYS CD . 34139 1 266 . 1 1 22 22 LYS CE C 13 41.507 0.009 . . . . . . A 22 LYS CE . 34139 1 267 . 1 1 22 22 LYS N N 15 119.223 0.046 . . . . . . A 22 LYS N . 34139 1 268 . 1 1 23 23 PRO HA H 1 4.789 0.005 . . . . . . A 23 PRO HA . 34139 1 269 . 1 1 23 23 PRO HB2 H 1 2.401 0.003 . . . . . . A 23 PRO HB2 . 34139 1 270 . 1 1 23 23 PRO HB3 H 1 1.959 0.005 . . . . . . A 23 PRO HB3 . 34139 1 271 . 1 1 23 23 PRO HG2 H 1 2.135 0.003 . . . . . . A 23 PRO HG2 . 34139 1 272 . 1 1 23 23 PRO HG3 H 1 2.135 0.003 . . . . . . A 23 PRO HG3 . 34139 1 273 . 1 1 23 23 PRO HD2 H 1 3.832 0.005 . . . . . . A 23 PRO HD2 . 34139 1 274 . 1 1 23 23 PRO HD3 H 1 3.602 0.003 . . . . . . A 23 PRO HD3 . 34139 1 275 . 1 1 23 23 PRO C C 13 176.823 0.000 . . . . . . A 23 PRO C . 34139 1 276 . 1 1 23 23 PRO CA C 13 62.716 0.060 . . . . . . A 23 PRO CA . 34139 1 277 . 1 1 23 23 PRO CB C 13 32.038 0.048 . . . . . . A 23 PRO CB . 34139 1 278 . 1 1 23 23 PRO CG C 13 27.629 0.072 . . . . . . A 23 PRO CG . 34139 1 279 . 1 1 23 23 PRO CD C 13 51.003 0.056 . . . . . . A 23 PRO CD . 34139 1 280 . 1 1 24 24 GLU H H 1 7.783 0.002 . . . . . . A 24 GLU H . 34139 1 281 . 1 1 24 24 GLU HA H 1 3.980 0.006 . . . . . . A 24 GLU HA . 34139 1 282 . 1 1 24 24 GLU HB2 H 1 1.953 0.007 . . . . . . A 24 GLU HB2 . 34139 1 283 . 1 1 24 24 GLU HB3 H 1 1.953 0.007 . . . . . . A 24 GLU HB3 . 34139 1 284 . 1 1 24 24 GLU HG2 H 1 2.044 0.004 . . . . . . A 24 GLU HG2 . 34139 1 285 . 1 1 24 24 GLU HG3 H 1 1.815 0.007 . . . . . . A 24 GLU HG3 . 34139 1 286 . 1 1 24 24 GLU C C 13 170.882 0.001 . . . . . . A 24 GLU C . 34139 1 287 . 1 1 24 24 GLU CA C 13 58.037 0.051 . . . . . . A 24 GLU CA . 34139 1 288 . 1 1 24 24 GLU CB C 13 33.285 0.074 . . . . . . A 24 GLU CB . 34139 1 289 . 1 1 24 24 GLU CG C 13 37.485 0.018 . . . . . . A 24 GLU CG . 34139 1 290 . 1 1 24 24 GLU N N 15 125.443 0.014 . . . . . . A 24 GLU N . 34139 1 291 . 1 1 25 25 ASN H H 1 8.122 0.005 . . . . . . A 25 ASN H . 34139 1 292 . 1 1 25 25 ASN HA H 1 5.397 0.009 . . . . . . A 25 ASN HA . 34139 1 293 . 1 1 25 25 ASN HB2 H 1 2.627 0.005 . . . . . . A 25 ASN HB2 . 34139 1 294 . 1 1 25 25 ASN HB3 H 1 2.627 0.005 . . . . . . A 25 ASN HB3 . 34139 1 295 . 1 1 25 25 ASN HD21 H 1 6.863 0.000 . . . . . . A 25 ASN HD21 . 34139 1 296 . 1 1 25 25 ASN HD22 H 1 7.643 0.000 . . . . . . A 25 ASN HD22 . 34139 1 297 . 1 1 25 25 ASN C C 13 173.665 0.005 . . . . . . A 25 ASN C . 34139 1 298 . 1 1 25 25 ASN CA C 13 51.755 0.031 . . . . . . A 25 ASN CA . 34139 1 299 . 1 1 25 25 ASN CB C 13 39.528 0.028 . . . . . . A 25 ASN CB . 34139 1 300 . 1 1 25 25 ASN N N 15 122.345 0.033 . . . . . . A 25 ASN N . 34139 1 301 . 1 1 25 25 ASN ND2 N 15 112.513 0.002 . . . . . . A 25 ASN ND2 . 34139 1 302 . 1 1 26 26 ALA H H 1 7.078 0.005 . . . . . . A 26 ALA H . 34139 1 303 . 1 1 26 26 ALA HA H 1 4.440 0.008 . . . . . . A 26 ALA HA . 34139 1 304 . 1 1 26 26 ALA HB1 H 1 1.431 0.007 . . . . . . A 26 ALA HB1 . 34139 1 305 . 1 1 26 26 ALA HB2 H 1 1.431 0.007 . . . . . . A 26 ALA HB2 . 34139 1 306 . 1 1 26 26 ALA HB3 H 1 1.431 0.007 . . . . . . A 26 ALA HB3 . 34139 1 307 . 1 1 26 26 ALA C C 13 172.875 0.007 . . . . . . A 26 ALA C . 34139 1 308 . 1 1 26 26 ALA CA C 13 51.590 0.032 . . . . . . A 26 ALA CA . 34139 1 309 . 1 1 26 26 ALA CB C 13 19.669 0.034 . . . . . . A 26 ALA CB . 34139 1 310 . 1 1 26 26 ALA N N 15 126.524 0.013 . . . . . . A 26 ALA N . 34139 1 311 . 1 1 27 27 THR H H 1 8.025 0.002 . . . . . . A 27 THR H . 34139 1 312 . 1 1 27 27 THR HA H 1 5.168 0.012 . . . . . . A 27 THR HA . 34139 1 313 . 1 1 27 27 THR HB H 1 3.822 0.004 . . . . . . A 27 THR HB . 34139 1 314 . 1 1 27 27 THR HG21 H 1 1.008 0.006 . . . . . . A 27 THR HG21 . 34139 1 315 . 1 1 27 27 THR HG22 H 1 1.008 0.006 . . . . . . A 27 THR HG22 . 34139 1 316 . 1 1 27 27 THR HG23 H 1 1.008 0.006 . . . . . . A 27 THR HG23 . 34139 1 317 . 1 1 27 27 THR C C 13 172.863 0.007 . . . . . . A 27 THR C . 34139 1 318 . 1 1 27 27 THR CA C 13 62.265 0.076 . . . . . . A 27 THR CA . 34139 1 319 . 1 1 27 27 THR CB C 13 71.088 0.050 . . . . . . A 27 THR CB . 34139 1 320 . 1 1 27 27 THR CG2 C 13 21.987 0.053 . . . . . . A 27 THR CG2 . 34139 1 321 . 1 1 27 27 THR N N 15 112.816 0.014 . . . . . . A 27 THR N . 34139 1 322 . 1 1 28 28 PHE H H 1 9.700 0.003 . . . . . . A 28 PHE H . 34139 1 323 . 1 1 28 28 PHE HA H 1 5.327 0.006 . . . . . . A 28 PHE HA . 34139 1 324 . 1 1 28 28 PHE HB2 H 1 2.973 0.021 . . . . . . A 28 PHE HB2 . 34139 1 325 . 1 1 28 28 PHE HB3 H 1 2.783 0.006 . . . . . . A 28 PHE HB3 . 34139 1 326 . 1 1 28 28 PHE C C 13 172.943 0.013 . . . . . . A 28 PHE C . 34139 1 327 . 1 1 28 28 PHE CA C 13 55.358 0.061 . . . . . . A 28 PHE CA . 34139 1 328 . 1 1 28 28 PHE CB C 13 43.189 0.037 . . . . . . A 28 PHE CB . 34139 1 329 . 1 1 28 28 PHE N N 15 127.876 0.017 . . . . . . A 28 PHE N . 34139 1 330 . 1 1 29 29 VAL H H 1 8.562 0.003 . . . . . . A 29 VAL H . 34139 1 331 . 1 1 29 29 VAL HA H 1 4.314 0.005 . . . . . . A 29 VAL HA . 34139 1 332 . 1 1 29 29 VAL HB H 1 1.626 0.003 . . . . . . A 29 VAL HB . 34139 1 333 . 1 1 29 29 VAL HG11 H 1 0.693 0.001 . . . . . . A 29 VAL HG11 . 34139 1 334 . 1 1 29 29 VAL HG12 H 1 0.693 0.001 . . . . . . A 29 VAL HG12 . 34139 1 335 . 1 1 29 29 VAL HG13 H 1 0.693 0.001 . . . . . . A 29 VAL HG13 . 34139 1 336 . 1 1 29 29 VAL HG21 H 1 0.586 0.005 . . . . . . A 29 VAL HG21 . 34139 1 337 . 1 1 29 29 VAL HG22 H 1 0.586 0.005 . . . . . . A 29 VAL HG22 . 34139 1 338 . 1 1 29 29 VAL HG23 H 1 0.586 0.005 . . . . . . A 29 VAL HG23 . 34139 1 339 . 1 1 29 29 VAL C C 13 175.834 0.002 . . . . . . A 29 VAL C . 34139 1 340 . 1 1 29 29 VAL CA C 13 60.157 0.055 . . . . . . A 29 VAL CA . 34139 1 341 . 1 1 29 29 VAL CB C 13 31.868 0.077 . . . . . . A 29 VAL CB . 34139 1 342 . 1 1 29 29 VAL CG1 C 13 19.987 0.047 . . . . . . A 29 VAL CG1 . 34139 1 343 . 1 1 29 29 VAL CG2 C 13 20.192 0.008 . . . . . . A 29 VAL CG2 . 34139 1 344 . 1 1 29 29 VAL N N 15 127.283 0.021 . . . . . . A 29 VAL N . 34139 1 345 . 1 1 30 30 ASN H H 1 8.963 0.004 . . . . . . A 30 ASN H . 34139 1 346 . 1 1 30 30 ASN HA H 1 4.149 0.005 . . . . . . A 30 ASN HA . 34139 1 347 . 1 1 30 30 ASN HB2 H 1 2.873 0.004 . . . . . . A 30 ASN HB2 . 34139 1 348 . 1 1 30 30 ASN HB3 H 1 2.619 0.010 . . . . . . A 30 ASN HB3 . 34139 1 349 . 1 1 30 30 ASN HD21 H 1 6.647 0.000 . . . . . . A 30 ASN HD21 . 34139 1 350 . 1 1 30 30 ASN HD22 H 1 6.738 0.000 . . . . . . A 30 ASN HD22 . 34139 1 351 . 1 1 30 30 ASN C C 13 176.364 0.002 . . . . . . A 30 ASN C . 34139 1 352 . 1 1 30 30 ASN CA C 13 53.557 0.039 . . . . . . A 30 ASN CA . 34139 1 353 . 1 1 30 30 ASN CB C 13 38.572 0.027 . . . . . . A 30 ASN CB . 34139 1 354 . 1 1 30 30 ASN N N 15 125.721 0.022 . . . . . . A 30 ASN N . 34139 1 355 . 1 1 30 30 ASN ND2 N 15 108.398 0.002 . . . . . . A 30 ASN ND2 . 34139 1 356 . 1 1 31 31 GLY H H 1 8.350 0.002 . . . . . . A 31 GLY H . 34139 1 357 . 1 1 31 31 GLY HA2 H 1 4.187 0.011 . . . . . . A 31 GLY HA2 . 34139 1 358 . 1 1 31 31 GLY HA3 H 1 3.777 0.007 . . . . . . A 31 GLY HA3 . 34139 1 359 . 1 1 31 31 GLY C C 13 173.933 0.000 . . . . . . A 31 GLY C . 34139 1 360 . 1 1 31 31 GLY CA C 13 44.684 0.078 . . . . . . A 31 GLY CA . 34139 1 361 . 1 1 31 31 GLY N N 15 114.386 0.006 . . . . . . A 31 GLY N . 34139 1 362 . 1 1 32 32 ASN H H 1 8.138 0.002 . . . . . . A 32 ASN H . 34139 1 363 . 1 1 32 32 ASN HA H 1 4.511 0.009 . . . . . . A 32 ASN HA . 34139 1 364 . 1 1 32 32 ASN HB2 H 1 2.828 0.002 . . . . . . A 32 ASN HB2 . 34139 1 365 . 1 1 32 32 ASN HB3 H 1 2.828 0.002 . . . . . . A 32 ASN HB3 . 34139 1 366 . 1 1 32 32 ASN HD21 H 1 7.543 0.001 . . . . . . A 32 ASN HD21 . 34139 1 367 . 1 1 32 32 ASN HD22 H 1 6.852 0.001 . . . . . . A 32 ASN HD22 . 34139 1 368 . 1 1 32 32 ASN C C 13 174.782 0.001 . . . . . . A 32 ASN C . 34139 1 369 . 1 1 32 32 ASN CA C 13 54.227 0.055 . . . . . . A 32 ASN CA . 34139 1 370 . 1 1 32 32 ASN CB C 13 38.534 0.035 . . . . . . A 32 ASN CB . 34139 1 371 . 1 1 32 32 ASN N N 15 115.517 0.018 . . . . . . A 32 ASN N . 34139 1 372 . 1 1 32 32 ASN ND2 N 15 111.852 0.009 . . . . . . A 32 ASN ND2 . 34139 1 373 . 1 1 33 33 GLN H H 1 7.692 0.005 . . . . . . A 33 GLN H . 34139 1 374 . 1 1 33 33 GLN HA H 1 4.964 0.003 . . . . . . A 33 GLN HA . 34139 1 375 . 1 1 33 33 GLN HB2 H 1 1.994 0.000 . . . . . . A 33 GLN HB2 . 34139 1 376 . 1 1 33 33 GLN HB3 H 1 1.817 0.002 . . . . . . A 33 GLN HB3 . 34139 1 377 . 1 1 33 33 GLN HG2 H 1 2.227 0.006 . . . . . . A 33 GLN HG2 . 34139 1 378 . 1 1 33 33 GLN HG3 H 1 2.227 0.006 . . . . . . A 33 GLN HG3 . 34139 1 379 . 1 1 33 33 GLN HE21 H 1 7.351 0.000 . . . . . . A 33 GLN HE21 . 34139 1 380 . 1 1 33 33 GLN HE22 H 1 6.819 0.002 . . . . . . A 33 GLN HE22 . 34139 1 381 . 1 1 33 33 GLN C C 13 172.670 0.000 . . . . . . A 33 GLN C . 34139 1 382 . 1 1 33 33 GLN CA C 13 52.470 0.101 . . . . . . A 33 GLN CA . 34139 1 383 . 1 1 33 33 GLN CB C 13 30.377 0.018 . . . . . . A 33 GLN CB . 34139 1 384 . 1 1 33 33 GLN CG C 13 33.185 0.028 . . . . . . A 33 GLN CG . 34139 1 385 . 1 1 33 33 GLN N N 15 118.106 0.024 . . . . . . A 33 GLN N . 34139 1 386 . 1 1 33 33 GLN NE2 N 15 112.646 0.019 . . . . . . A 33 GLN NE2 . 34139 1 387 . 1 1 34 34 PRO HA H 1 4.950 0.034 . . . . . . A 34 PRO HA . 34139 1 388 . 1 1 34 34 PRO HB2 H 1 2.211 0.005 . . . . . . A 34 PRO HB2 . 34139 1 389 . 1 1 34 34 PRO HB3 H 1 1.713 0.006 . . . . . . A 34 PRO HB3 . 34139 1 390 . 1 1 34 34 PRO HG2 H 1 2.037 0.004 . . . . . . A 34 PRO HG2 . 34139 1 391 . 1 1 34 34 PRO HG3 H 1 1.998 0.005 . . . . . . A 34 PRO HG3 . 34139 1 392 . 1 1 34 34 PRO HD2 H 1 3.776 0.005 . . . . . . A 34 PRO HD2 . 34139 1 393 . 1 1 34 34 PRO HD3 H 1 3.723 0.011 . . . . . . A 34 PRO HD3 . 34139 1 394 . 1 1 34 34 PRO C C 13 176.515 0.000 . . . . . . A 34 PRO C . 34139 1 395 . 1 1 34 34 PRO CA C 13 62.343 0.052 . . . . . . A 34 PRO CA . 34139 1 396 . 1 1 34 34 PRO CB C 13 32.590 0.063 . . . . . . A 34 PRO CB . 34139 1 397 . 1 1 34 34 PRO CG C 13 27.238 0.000 . . . . . . A 34 PRO CG . 34139 1 398 . 1 1 34 34 PRO CD C 13 50.698 0.021 . . . . . . A 34 PRO CD . 34139 1 399 . 1 1 35 35 ILE H H 1 8.122 0.002 . . . . . . A 35 ILE H . 34139 1 400 . 1 1 35 35 ILE HA H 1 4.269 0.006 . . . . . . A 35 ILE HA . 34139 1 401 . 1 1 35 35 ILE HB H 1 1.586 0.006 . . . . . . A 35 ILE HB . 34139 1 402 . 1 1 35 35 ILE HG12 H 1 1.864 0.004 . . . . . . A 35 ILE HG12 . 34139 1 403 . 1 1 35 35 ILE HG13 H 1 0.965 0.005 . . . . . . A 35 ILE HG13 . 34139 1 404 . 1 1 35 35 ILE HG21 H 1 1.212 0.003 . . . . . . A 35 ILE HG21 . 34139 1 405 . 1 1 35 35 ILE HG22 H 1 1.212 0.003 . . . . . . A 35 ILE HG22 . 34139 1 406 . 1 1 35 35 ILE HG23 H 1 1.212 0.003 . . . . . . A 35 ILE HG23 . 34139 1 407 . 1 1 35 35 ILE HD11 H 1 1.226 0.001 . . . . . . A 35 ILE HD11 . 34139 1 408 . 1 1 35 35 ILE HD12 H 1 1.226 0.001 . . . . . . A 35 ILE HD12 . 34139 1 409 . 1 1 35 35 ILE HD13 H 1 1.226 0.001 . . . . . . A 35 ILE HD13 . 34139 1 410 . 1 1 35 35 ILE C C 13 175.160 0.003 . . . . . . A 35 ILE C . 34139 1 411 . 1 1 35 35 ILE CA C 13 60.759 0.008 . . . . . . A 35 ILE CA . 34139 1 412 . 1 1 35 35 ILE CB C 13 42.765 0.068 . . . . . . A 35 ILE CB . 34139 1 413 . 1 1 35 35 ILE CG1 C 13 27.894 0.051 . . . . . . A 35 ILE CG1 . 34139 1 414 . 1 1 35 35 ILE CG2 C 13 19.878 0.006 . . . . . . A 35 ILE CG2 . 34139 1 415 . 1 1 35 35 ILE CD1 C 13 14.696 0.017 . . . . . . A 35 ILE CD1 . 34139 1 416 . 1 1 35 35 ILE N N 15 121.076 0.012 . . . . . . A 35 ILE N . 34139 1 417 . 1 1 36 36 VAL H H 1 8.412 0.002 . . . . . . A 36 VAL H . 34139 1 418 . 1 1 36 36 VAL HA H 1 4.108 0.005 . . . . . . A 36 VAL HA . 34139 1 419 . 1 1 36 36 VAL HB H 1 2.021 0.004 . . . . . . A 36 VAL HB . 34139 1 420 . 1 1 36 36 VAL HG11 H 1 1.107 0.001 . . . . . . A 36 VAL HG11 . 34139 1 421 . 1 1 36 36 VAL HG12 H 1 1.107 0.001 . . . . . . A 36 VAL HG12 . 34139 1 422 . 1 1 36 36 VAL HG13 H 1 1.107 0.001 . . . . . . A 36 VAL HG13 . 34139 1 423 . 1 1 36 36 VAL HG21 H 1 1.026 0.001 . . . . . . A 36 VAL HG21 . 34139 1 424 . 1 1 36 36 VAL HG22 H 1 1.026 0.001 . . . . . . A 36 VAL HG22 . 34139 1 425 . 1 1 36 36 VAL HG23 H 1 1.026 0.001 . . . . . . A 36 VAL HG23 . 34139 1 426 . 1 1 36 36 VAL C C 13 176.059 0.003 . . . . . . A 36 VAL C . 34139 1 427 . 1 1 36 36 VAL CA C 13 64.353 0.045 . . . . . . A 36 VAL CA . 34139 1 428 . 1 1 36 36 VAL CB C 13 31.887 0.064 . . . . . . A 36 VAL CB . 34139 1 429 . 1 1 36 36 VAL CG1 C 13 22.051 0.009 . . . . . . A 36 VAL CG1 . 34139 1 430 . 1 1 36 36 VAL CG2 C 13 21.502 0.041 . . . . . . A 36 VAL CG2 . 34139 1 431 . 1 1 36 36 VAL N N 15 128.244 0.015 . . . . . . A 36 VAL N . 34139 1 432 . 1 1 37 37 THR H H 1 7.986 0.005 . . . . . . A 37 THR H . 34139 1 433 . 1 1 37 37 THR HA H 1 5.020 0.006 . . . . . . A 37 THR HA . 34139 1 434 . 1 1 37 37 THR HB H 1 4.284 0.006 . . . . . . A 37 THR HB . 34139 1 435 . 1 1 37 37 THR HG21 H 1 1.376 0.003 . . . . . . A 37 THR HG21 . 34139 1 436 . 1 1 37 37 THR HG22 H 1 1.376 0.003 . . . . . . A 37 THR HG22 . 34139 1 437 . 1 1 37 37 THR HG23 H 1 1.376 0.003 . . . . . . A 37 THR HG23 . 34139 1 438 . 1 1 37 37 THR C C 13 174.919 0.002 . . . . . . A 37 THR C . 34139 1 439 . 1 1 37 37 THR CA C 13 61.276 0.040 . . . . . . A 37 THR CA . 34139 1 440 . 1 1 37 37 THR CB C 13 70.997 0.019 . . . . . . A 37 THR CB . 34139 1 441 . 1 1 37 37 THR CG2 C 13 22.196 0.031 . . . . . . A 37 THR CG2 . 34139 1 442 . 1 1 37 37 THR N N 15 118.482 0.016 . . . . . . A 37 THR N . 34139 1 443 . 1 1 38 38 ARG H H 1 9.326 0.002 . . . . . . A 38 ARG H . 34139 1 444 . 1 1 38 38 ARG HA H 1 5.431 0.006 . . . . . . A 38 ARG HA . 34139 1 445 . 1 1 38 38 ARG HB2 H 1 2.072 0.011 . . . . . . A 38 ARG HB2 . 34139 1 446 . 1 1 38 38 ARG HB3 H 1 2.072 0.011 . . . . . . A 38 ARG HB3 . 34139 1 447 . 1 1 38 38 ARG HG2 H 1 2.386 0.006 . . . . . . A 38 ARG HG2 . 34139 1 448 . 1 1 38 38 ARG HG3 H 1 1.813 0.006 . . . . . . A 38 ARG HG3 . 34139 1 449 . 1 1 38 38 ARG HD2 H 1 3.279 0.008 . . . . . . A 38 ARG HD2 . 34139 1 450 . 1 1 38 38 ARG HD3 H 1 3.187 0.004 . . . . . . A 38 ARG HD3 . 34139 1 451 . 1 1 38 38 ARG C C 13 175.636 0.008 . . . . . . A 38 ARG C . 34139 1 452 . 1 1 38 38 ARG CA C 13 52.574 0.068 . . . . . . A 38 ARG CA . 34139 1 453 . 1 1 38 38 ARG CB C 13 33.442 0.068 . . . . . . A 38 ARG CB . 34139 1 454 . 1 1 38 38 ARG CG C 13 26.373 0.000 . . . . . . A 38 ARG CG . 34139 1 455 . 1 1 38 38 ARG CD C 13 43.314 0.052 . . . . . . A 38 ARG CD . 34139 1 456 . 1 1 38 38 ARG N N 15 118.253 0.045 . . . . . . A 38 ARG N . 34139 1 457 . 1 1 39 39 ILE H H 1 8.729 0.002 . . . . . . A 39 ILE H . 34139 1 458 . 1 1 39 39 ILE HA H 1 4.464 0.010 . . . . . . A 39 ILE HA . 34139 1 459 . 1 1 39 39 ILE HB H 1 1.702 0.003 . . . . . . A 39 ILE HB . 34139 1 460 . 1 1 39 39 ILE HG12 H 1 1.427 0.004 . . . . . . A 39 ILE HG12 . 34139 1 461 . 1 1 39 39 ILE HG13 H 1 1.024 0.005 . . . . . . A 39 ILE HG13 . 34139 1 462 . 1 1 39 39 ILE HG21 H 1 0.863 0.006 . . . . . . A 39 ILE HG21 . 34139 1 463 . 1 1 39 39 ILE HG22 H 1 0.863 0.006 . . . . . . A 39 ILE HG22 . 34139 1 464 . 1 1 39 39 ILE HG23 H 1 0.863 0.006 . . . . . . A 39 ILE HG23 . 34139 1 465 . 1 1 39 39 ILE HD11 H 1 0.787 0.003 . . . . . . A 39 ILE HD11 . 34139 1 466 . 1 1 39 39 ILE HD12 H 1 0.787 0.003 . . . . . . A 39 ILE HD12 . 34139 1 467 . 1 1 39 39 ILE HD13 H 1 0.787 0.003 . . . . . . A 39 ILE HD13 . 34139 1 468 . 1 1 39 39 ILE C C 13 179.251 0.000 . . . . . . A 39 ILE C . 34139 1 469 . 1 1 39 39 ILE CA C 13 60.196 0.042 . . . . . . A 39 ILE CA . 34139 1 470 . 1 1 39 39 ILE CB C 13 38.258 0.017 . . . . . . A 39 ILE CB . 34139 1 471 . 1 1 39 39 ILE CG1 C 13 27.170 0.036 . . . . . . A 39 ILE CG1 . 34139 1 472 . 1 1 39 39 ILE CG2 C 13 17.231 0.062 . . . . . . A 39 ILE CG2 . 34139 1 473 . 1 1 39 39 ILE CD1 C 13 12.209 0.013 . . . . . . A 39 ILE CD1 . 34139 1 474 . 1 1 39 39 ILE N N 15 119.759 0.015 . . . . . . A 39 ILE N . 34139 1 475 . 1 1 40 40 GLY H H 1 9.304 0.005 . . . . . . A 40 GLY H . 34139 1 476 . 1 1 40 40 GLY HA2 H 1 4.360 0.007 . . . . . . A 40 GLY HA2 . 34139 1 477 . 1 1 40 40 GLY HA3 H 1 3.590 0.006 . . . . . . A 40 GLY HA3 . 34139 1 478 . 1 1 40 40 GLY C C 13 174.226 0.000 . . . . . . A 40 GLY C . 34139 1 479 . 1 1 40 40 GLY CA C 13 47.717 0.024 . . . . . . A 40 GLY CA . 34139 1 480 . 1 1 40 40 GLY N N 15 116.055 0.037 . . . . . . A 40 GLY N . 34139 1 481 . 1 1 41 41 SER H H 1 7.405 0.004 . . . . . . A 41 SER H . 34139 1 482 . 1 1 41 41 SER HA H 1 4.167 0.001 . . . . . . A 41 SER HA . 34139 1 483 . 1 1 41 41 SER HB2 H 1 3.575 0.002 . . . . . . A 41 SER HB2 . 34139 1 484 . 1 1 41 41 SER HB3 H 1 3.403 0.000 . . . . . . A 41 SER HB3 . 34139 1 485 . 1 1 41 41 SER C C 13 170.326 0.000 . . . . . . A 41 SER C . 34139 1 486 . 1 1 41 41 SER CA C 13 56.302 0.043 . . . . . . A 41 SER CA . 34139 1 487 . 1 1 41 41 SER CB C 13 63.889 0.012 . . . . . . A 41 SER CB . 34139 1 488 . 1 1 41 41 SER N N 15 114.860 0.019 . . . . . . A 41 SER N . 34139 1 489 . 1 1 42 42 PRO HA H 1 2.620 0.007 . . . . . . A 42 PRO HA . 34139 1 490 . 1 1 42 42 PRO HB2 H 1 -0.344 0.003 . . . . . . A 42 PRO HB2 . 34139 1 491 . 1 1 42 42 PRO HB3 H 1 -0.344 0.003 . . . . . . A 42 PRO HB3 . 34139 1 492 . 1 1 42 42 PRO HG2 H 1 0.991 0.003 . . . . . . A 42 PRO HG2 . 34139 1 493 . 1 1 42 42 PRO HG3 H 1 0.656 0.010 . . . . . . A 42 PRO HG3 . 34139 1 494 . 1 1 42 42 PRO HD2 H 1 1.526 0.006 . . . . . . A 42 PRO HD2 . 34139 1 495 . 1 1 42 42 PRO HD3 H 1 1.478 0.000 . . . . . . A 42 PRO HD3 . 34139 1 496 . 1 1 42 42 PRO C C 13 170.012 0.000 . . . . . . A 42 PRO C . 34139 1 497 . 1 1 42 42 PRO CA C 13 59.666 0.079 . . . . . . A 42 PRO CA . 34139 1 498 . 1 1 42 42 PRO CB C 13 25.762 0.093 . . . . . . A 42 PRO CB . 34139 1 499 . 1 1 42 42 PRO CG C 13 26.907 0.076 . . . . . . A 42 PRO CG . 34139 1 500 . 1 1 42 42 PRO CD C 13 51.299 0.000 . . . . . . A 42 PRO CD . 34139 1 501 . 1 1 43 43 PHE H H 1 6.602 0.004 . . . . . . A 43 PHE H . 34139 1 502 . 1 1 43 43 PHE HA H 1 4.491 0.005 . . . . . . A 43 PHE HA . 34139 1 503 . 1 1 43 43 PHE HB2 H 1 3.128 0.009 . . . . . . A 43 PHE HB2 . 34139 1 504 . 1 1 43 43 PHE HB3 H 1 2.363 0.006 . . . . . . A 43 PHE HB3 . 34139 1 505 . 1 1 43 43 PHE HD1 H 1 6.998 0.001 . . . . . . A 43 PHE HD1 . 34139 1 506 . 1 1 43 43 PHE HE1 H 1 7.032 0.000 . . . . . . A 43 PHE HE1 . 34139 1 507 . 1 1 43 43 PHE C C 13 177.053 0.009 . . . . . . A 43 PHE C . 34139 1 508 . 1 1 43 43 PHE CA C 13 55.559 0.049 . . . . . . A 43 PHE CA . 34139 1 509 . 1 1 43 43 PHE CB C 13 43.433 0.039 . . . . . . A 43 PHE CB . 34139 1 510 . 1 1 43 43 PHE CD1 C 13 131.645 0.043 . . . . . . A 43 PHE CD1 . 34139 1 511 . 1 1 43 43 PHE CE1 C 13 130.518 0.000 . . . . . . A 43 PHE CE1 . 34139 1 512 . 1 1 43 43 PHE N N 15 111.756 0.012 . . . . . . A 43 PHE N . 34139 1 513 . 1 1 44 44 LEU H H 1 8.373 0.002 . . . . . . A 44 LEU H . 34139 1 514 . 1 1 44 44 LEU HA H 1 4.309 0.008 . . . . . . A 44 LEU HA . 34139 1 515 . 1 1 44 44 LEU HB2 H 1 1.873 0.008 . . . . . . A 44 LEU HB2 . 34139 1 516 . 1 1 44 44 LEU HB3 H 1 1.793 0.005 . . . . . . A 44 LEU HB3 . 34139 1 517 . 1 1 44 44 LEU HG H 1 1.893 0.007 . . . . . . A 44 LEU HG . 34139 1 518 . 1 1 44 44 LEU HD11 H 1 1.179 0.002 . . . . . . A 44 LEU HD11 . 34139 1 519 . 1 1 44 44 LEU HD12 H 1 1.179 0.002 . . . . . . A 44 LEU HD12 . 34139 1 520 . 1 1 44 44 LEU HD13 H 1 1.179 0.002 . . . . . . A 44 LEU HD13 . 34139 1 521 . 1 1 44 44 LEU HD21 H 1 0.874 0.003 . . . . . . A 44 LEU HD21 . 34139 1 522 . 1 1 44 44 LEU HD22 H 1 0.874 0.003 . . . . . . A 44 LEU HD22 . 34139 1 523 . 1 1 44 44 LEU HD23 H 1 0.874 0.003 . . . . . . A 44 LEU HD23 . 34139 1 524 . 1 1 44 44 LEU C C 13 176.274 0.003 . . . . . . A 44 LEU C . 34139 1 525 . 1 1 44 44 LEU CA C 13 56.229 0.050 . . . . . . A 44 LEU CA . 34139 1 526 . 1 1 44 44 LEU CB C 13 40.822 0.067 . . . . . . A 44 LEU CB . 34139 1 527 . 1 1 44 44 LEU CG C 13 27.708 0.033 . . . . . . A 44 LEU CG . 34139 1 528 . 1 1 44 44 LEU CD1 C 13 25.784 0.027 . . . . . . A 44 LEU CD1 . 34139 1 529 . 1 1 44 44 LEU CD2 C 13 22.371 0.022 . . . . . . A 44 LEU CD2 . 34139 1 530 . 1 1 44 44 LEU N N 15 119.353 0.019 . . . . . . A 44 LEU N . 34139 1 531 . 1 1 45 45 ASN H H 1 7.664 0.004 . . . . . . A 45 ASN H . 34139 1 532 . 1 1 45 45 ASN HA H 1 4.838 0.009 . . . . . . A 45 ASN HA . 34139 1 533 . 1 1 45 45 ASN HB2 H 1 3.099 0.013 . . . . . . A 45 ASN HB2 . 34139 1 534 . 1 1 45 45 ASN HB3 H 1 2.700 0.014 . . . . . . A 45 ASN HB3 . 34139 1 535 . 1 1 45 45 ASN HD21 H 1 7.502 0.002 . . . . . . A 45 ASN HD21 . 34139 1 536 . 1 1 45 45 ASN HD22 H 1 6.643 0.002 . . . . . . A 45 ASN HD22 . 34139 1 537 . 1 1 45 45 ASN C C 13 175.668 0.009 . . . . . . A 45 ASN C . 34139 1 538 . 1 1 45 45 ASN CA C 13 51.613 0.081 . . . . . . A 45 ASN CA . 34139 1 539 . 1 1 45 45 ASN CB C 13 37.499 0.049 . . . . . . A 45 ASN CB . 34139 1 540 . 1 1 45 45 ASN N N 15 112.193 0.031 . . . . . . A 45 ASN N . 34139 1 541 . 1 1 45 45 ASN ND2 N 15 111.081 0.034 . . . . . . A 45 ASN ND2 . 34139 1 542 . 1 1 46 46 ALA H H 1 7.137 0.004 . . . . . . A 46 ALA H . 34139 1 543 . 1 1 46 46 ALA HA H 1 4.555 0.004 . . . . . . A 46 ALA HA . 34139 1 544 . 1 1 46 46 ALA HB1 H 1 1.633 0.005 . . . . . . A 46 ALA HB1 . 34139 1 545 . 1 1 46 46 ALA HB2 H 1 1.633 0.005 . . . . . . A 46 ALA HB2 . 34139 1 546 . 1 1 46 46 ALA HB3 H 1 1.633 0.005 . . . . . . A 46 ALA HB3 . 34139 1 547 . 1 1 46 46 ALA C C 13 174.329 0.000 . . . . . . A 46 ALA C . 34139 1 548 . 1 1 46 46 ALA CA C 13 51.432 0.020 . . . . . . A 46 ALA CA . 34139 1 549 . 1 1 46 46 ALA CB C 13 17.777 0.019 . . . . . . A 46 ALA CB . 34139 1 550 . 1 1 46 46 ALA N N 15 123.942 0.017 . . . . . . A 46 ALA N . 34139 1 551 . 1 1 47 47 PRO HA H 1 4.391 0.007 . . . . . . A 47 PRO HA . 34139 1 552 . 1 1 47 47 PRO HB2 H 1 2.396 0.004 . . . . . . A 47 PRO HB2 . 34139 1 553 . 1 1 47 47 PRO HB3 H 1 1.749 0.011 . . . . . . A 47 PRO HB3 . 34139 1 554 . 1 1 47 47 PRO HG2 H 1 2.128 0.005 . . . . . . A 47 PRO HG2 . 34139 1 555 . 1 1 47 47 PRO HG3 H 1 2.128 0.005 . . . . . . A 47 PRO HG3 . 34139 1 556 . 1 1 47 47 PRO HD2 H 1 3.890 0.012 . . . . . . A 47 PRO HD2 . 34139 1 557 . 1 1 47 47 PRO HD3 H 1 3.890 0.012 . . . . . . A 47 PRO HD3 . 34139 1 558 . 1 1 47 47 PRO C C 13 176.347 0.000 . . . . . . A 47 PRO C . 34139 1 559 . 1 1 47 47 PRO CA C 13 63.120 0.049 . . . . . . A 47 PRO CA . 34139 1 560 . 1 1 47 47 PRO CB C 13 32.189 0.072 . . . . . . A 47 PRO CB . 34139 1 561 . 1 1 47 47 PRO CG C 13 28.131 0.001 . . . . . . A 47 PRO CG . 34139 1 562 . 1 1 47 47 PRO CD C 13 50.356 0.013 . . . . . . A 47 PRO CD . 34139 1 563 . 1 1 48 48 VAL H H 1 8.323 0.003 . . . . . . A 48 VAL H . 34139 1 564 . 1 1 48 48 VAL HA H 1 4.286 0.004 . . . . . . A 48 VAL HA . 34139 1 565 . 1 1 48 48 VAL HB H 1 2.136 0.003 . . . . . . A 48 VAL HB . 34139 1 566 . 1 1 48 48 VAL HG11 H 1 1.081 0.005 . . . . . . A 48 VAL HG11 . 34139 1 567 . 1 1 48 48 VAL HG12 H 1 1.081 0.005 . . . . . . A 48 VAL HG12 . 34139 1 568 . 1 1 48 48 VAL HG13 H 1 1.081 0.005 . . . . . . A 48 VAL HG13 . 34139 1 569 . 1 1 48 48 VAL HG21 H 1 1.081 0.005 . . . . . . A 48 VAL HG21 . 34139 1 570 . 1 1 48 48 VAL HG22 H 1 1.081 0.005 . . . . . . A 48 VAL HG22 . 34139 1 571 . 1 1 48 48 VAL HG23 H 1 1.081 0.005 . . . . . . A 48 VAL HG23 . 34139 1 572 . 1 1 48 48 VAL C C 13 177.885 0.003 . . . . . . A 48 VAL C . 34139 1 573 . 1 1 48 48 VAL CA C 13 63.346 0.058 . . . . . . A 48 VAL CA . 34139 1 574 . 1 1 48 48 VAL CB C 13 32.734 0.045 . . . . . . A 48 VAL CB . 34139 1 575 . 1 1 48 48 VAL CG1 C 13 21.687 0.022 . . . . . . A 48 VAL CG1 . 34139 1 576 . 1 1 48 48 VAL CG2 C 13 21.687 0.022 . . . . . . A 48 VAL CG2 . 34139 1 577 . 1 1 48 48 VAL N N 15 121.050 0.022 . . . . . . A 48 VAL N . 34139 1 578 . 1 1 49 49 GLY H H 1 8.787 0.002 . . . . . . A 49 GLY H . 34139 1 579 . 1 1 49 49 GLY HA2 H 1 4.326 0.005 . . . . . . A 49 GLY HA2 . 34139 1 580 . 1 1 49 49 GLY HA3 H 1 3.399 0.006 . . . . . . A 49 GLY HA3 . 34139 1 581 . 1 1 49 49 GLY C C 13 173.947 0.000 . . . . . . A 49 GLY C . 34139 1 582 . 1 1 49 49 GLY CA C 13 44.844 0.024 . . . . . . A 49 GLY CA . 34139 1 583 . 1 1 49 49 GLY N N 15 114.146 0.016 . . . . . . A 49 GLY N . 34139 1 584 . 1 1 50 50 GLY H H 1 7.247 0.005 . . . . . . A 50 GLY H . 34139 1 585 . 1 1 50 50 GLY HA2 H 1 4.303 0.001 . . . . . . A 50 GLY HA2 . 34139 1 586 . 1 1 50 50 GLY HA3 H 1 3.888 0.007 . . . . . . A 50 GLY HA3 . 34139 1 587 . 1 1 50 50 GLY CA C 13 43.798 0.013 . . . . . . A 50 GLY CA . 34139 1 588 . 1 1 50 50 GLY N N 15 107.327 0.019 . . . . . . A 50 GLY N . 34139 1 589 . 1 1 51 51 ASN H H 1 8.785 0.000 . . . . . . A 51 ASN H . 34139 1 590 . 1 1 51 51 ASN HA H 1 5.422 0.005 . . . . . . A 51 ASN HA . 34139 1 591 . 1 1 51 51 ASN HB2 H 1 2.587 0.011 . . . . . . A 51 ASN HB2 . 34139 1 592 . 1 1 51 51 ASN HB3 H 1 2.250 0.009 . . . . . . A 51 ASN HB3 . 34139 1 593 . 1 1 51 51 ASN HD21 H 1 7.335 0.003 . . . . . . A 51 ASN HD21 . 34139 1 594 . 1 1 51 51 ASN HD22 H 1 6.733 0.001 . . . . . . A 51 ASN HD22 . 34139 1 595 . 1 1 51 51 ASN C C 13 175.742 0.000 . . . . . . A 51 ASN C . 34139 1 596 . 1 1 51 51 ASN CA C 13 52.312 0.022 . . . . . . A 51 ASN CA . 34139 1 597 . 1 1 51 51 ASN CB C 13 39.264 0.034 . . . . . . A 51 ASN CB . 34139 1 598 . 1 1 51 51 ASN N N 15 119.667 0.000 . . . . . . A 51 ASN N . 34139 1 599 . 1 1 51 51 ASN ND2 N 15 111.131 0.029 . . . . . . A 51 ASN ND2 . 34139 1 600 . 1 1 52 52 LEU H H 1 10.070 0.005 . . . . . . A 52 LEU H . 34139 1 601 . 1 1 52 52 LEU HA H 1 4.880 0.001 . . . . . . A 52 LEU HA . 34139 1 602 . 1 1 52 52 LEU HB2 H 1 2.071 0.011 . . . . . . A 52 LEU HB2 . 34139 1 603 . 1 1 52 52 LEU HB3 H 1 1.388 0.005 . . . . . . A 52 LEU HB3 . 34139 1 604 . 1 1 52 52 LEU HG H 1 1.644 0.008 . . . . . . A 52 LEU HG . 34139 1 605 . 1 1 52 52 LEU HD11 H 1 1.136 0.001 . . . . . . A 52 LEU HD11 . 34139 1 606 . 1 1 52 52 LEU HD12 H 1 1.136 0.001 . . . . . . A 52 LEU HD12 . 34139 1 607 . 1 1 52 52 LEU HD13 H 1 1.136 0.001 . . . . . . A 52 LEU HD13 . 34139 1 608 . 1 1 52 52 LEU HD21 H 1 0.999 0.003 . . . . . . A 52 LEU HD21 . 34139 1 609 . 1 1 52 52 LEU HD22 H 1 0.999 0.003 . . . . . . A 52 LEU HD22 . 34139 1 610 . 1 1 52 52 LEU HD23 H 1 0.999 0.003 . . . . . . A 52 LEU HD23 . 34139 1 611 . 1 1 52 52 LEU C C 13 174.435 0.000 . . . . . . A 52 LEU C . 34139 1 612 . 1 1 52 52 LEU CA C 13 52.194 0.036 . . . . . . A 52 LEU CA . 34139 1 613 . 1 1 52 52 LEU CB C 13 42.983 0.065 . . . . . . A 52 LEU CB . 34139 1 614 . 1 1 52 52 LEU CG C 13 27.302 0.081 . . . . . . A 52 LEU CG . 34139 1 615 . 1 1 52 52 LEU CD1 C 13 26.864 0.051 . . . . . . A 52 LEU CD1 . 34139 1 616 . 1 1 52 52 LEU CD2 C 13 24.779 0.025 . . . . . . A 52 LEU CD2 . 34139 1 617 . 1 1 52 52 LEU N N 15 129.577 0.019 . . . . . . A 52 LEU N . 34139 1 618 . 1 1 53 53 PRO HA H 1 4.307 0.005 . . . . . . A 53 PRO HA . 34139 1 619 . 1 1 53 53 PRO HB2 H 1 2.374 0.003 . . . . . . A 53 PRO HB2 . 34139 1 620 . 1 1 53 53 PRO HB3 H 1 1.851 0.006 . . . . . . A 53 PRO HB3 . 34139 1 621 . 1 1 53 53 PRO HG2 H 1 2.055 0.002 . . . . . . A 53 PRO HG2 . 34139 1 622 . 1 1 53 53 PRO HG3 H 1 1.973 0.005 . . . . . . A 53 PRO HG3 . 34139 1 623 . 1 1 53 53 PRO HD2 H 1 4.317 0.004 . . . . . . A 53 PRO HD2 . 34139 1 624 . 1 1 53 53 PRO HD3 H 1 3.538 0.005 . . . . . . A 53 PRO HD3 . 34139 1 625 . 1 1 53 53 PRO C C 13 177.584 0.000 . . . . . . A 53 PRO C . 34139 1 626 . 1 1 53 53 PRO CA C 13 62.527 0.021 . . . . . . A 53 PRO CA . 34139 1 627 . 1 1 53 53 PRO CB C 13 32.761 0.053 . . . . . . A 53 PRO CB . 34139 1 628 . 1 1 53 53 PRO CG C 13 27.437 0.000 . . . . . . A 53 PRO CG . 34139 1 629 . 1 1 53 53 PRO CD C 13 51.338 0.026 . . . . . . A 53 PRO CD . 34139 1 630 . 1 1 54 54 ALA H H 1 8.567 0.002 . . . . . . A 54 ALA H . 34139 1 631 . 1 1 54 54 ALA HA H 1 4.239 0.006 . . . . . . A 54 ALA HA . 34139 1 632 . 1 1 54 54 ALA HB1 H 1 1.149 0.006 . . . . . . A 54 ALA HB1 . 34139 1 633 . 1 1 54 54 ALA HB2 H 1 1.149 0.006 . . . . . . A 54 ALA HB2 . 34139 1 634 . 1 1 54 54 ALA HB3 H 1 1.149 0.006 . . . . . . A 54 ALA HB3 . 34139 1 635 . 1 1 54 54 ALA C C 13 179.990 0.013 . . . . . . A 54 ALA C . 34139 1 636 . 1 1 54 54 ALA CA C 13 53.233 0.036 . . . . . . A 54 ALA CA . 34139 1 637 . 1 1 54 54 ALA CB C 13 18.281 0.025 . . . . . . A 54 ALA CB . 34139 1 638 . 1 1 54 54 ALA N N 15 125.224 0.013 . . . . . . A 54 ALA N . 34139 1 639 . 1 1 55 55 GLY H H 1 7.995 0.002 . . . . . . A 55 GLY H . 34139 1 640 . 1 1 55 55 GLY HA2 H 1 3.869 0.008 . . . . . . A 55 GLY HA2 . 34139 1 641 . 1 1 55 55 GLY HA3 H 1 3.869 0.008 . . . . . . A 55 GLY HA3 . 34139 1 642 . 1 1 55 55 GLY C C 13 173.502 0.000 . . . . . . A 55 GLY C . 34139 1 643 . 1 1 55 55 GLY CA C 13 45.915 0.038 . . . . . . A 55 GLY CA . 34139 1 644 . 1 1 55 55 GLY N N 15 110.960 0.006 . . . . . . A 55 GLY N . 34139 1 645 . 1 1 56 56 ALA H H 1 7.347 0.003 . . . . . . A 56 ALA H . 34139 1 646 . 1 1 56 56 ALA HA H 1 4.232 0.007 . . . . . . A 56 ALA HA . 34139 1 647 . 1 1 56 56 ALA HB1 H 1 1.438 0.007 . . . . . . A 56 ALA HB1 . 34139 1 648 . 1 1 56 56 ALA HB2 H 1 1.438 0.007 . . . . . . A 56 ALA HB2 . 34139 1 649 . 1 1 56 56 ALA HB3 H 1 1.438 0.007 . . . . . . A 56 ALA HB3 . 34139 1 650 . 1 1 56 56 ALA C C 13 175.704 0.002 . . . . . . A 56 ALA C . 34139 1 651 . 1 1 56 56 ALA CA C 13 52.826 0.030 . . . . . . A 56 ALA CA . 34139 1 652 . 1 1 56 56 ALA CB C 13 20.796 0.040 . . . . . . A 56 ALA CB . 34139 1 653 . 1 1 56 56 ALA N N 15 122.229 0.007 . . . . . . A 56 ALA N . 34139 1 654 . 1 1 57 57 THR H H 1 8.170 0.003 . . . . . . A 57 THR H . 34139 1 655 . 1 1 57 57 THR HA H 1 5.164 0.008 . . . . . . A 57 THR HA . 34139 1 656 . 1 1 57 57 THR HB H 1 3.907 0.002 . . . . . . A 57 THR HB . 34139 1 657 . 1 1 57 57 THR HG21 H 1 1.043 0.008 . . . . . . A 57 THR HG21 . 34139 1 658 . 1 1 57 57 THR HG22 H 1 1.043 0.008 . . . . . . A 57 THR HG22 . 34139 1 659 . 1 1 57 57 THR HG23 H 1 1.043 0.008 . . . . . . A 57 THR HG23 . 34139 1 660 . 1 1 57 57 THR C C 13 174.638 0.007 . . . . . . A 57 THR C . 34139 1 661 . 1 1 57 57 THR CA C 13 62.116 0.068 . . . . . . A 57 THR CA . 34139 1 662 . 1 1 57 57 THR CB C 13 70.570 0.037 . . . . . . A 57 THR CB . 34139 1 663 . 1 1 57 57 THR CG2 C 13 21.542 0.055 . . . . . . A 57 THR CG2 . 34139 1 664 . 1 1 57 57 THR N N 15 114.968 0.015 . . . . . . A 57 THR N . 34139 1 665 . 1 1 58 58 ILE H H 1 9.617 0.002 . . . . . . A 58 ILE H . 34139 1 666 . 1 1 58 58 ILE HA H 1 4.397 0.005 . . . . . . A 58 ILE HA . 34139 1 667 . 1 1 58 58 ILE HB H 1 1.682 0.006 . . . . . . A 58 ILE HB . 34139 1 668 . 1 1 58 58 ILE HG12 H 1 1.096 0.003 . . . . . . A 58 ILE HG12 . 34139 1 669 . 1 1 58 58 ILE HG13 H 1 0.818 0.002 . . . . . . A 58 ILE HG13 . 34139 1 670 . 1 1 58 58 ILE HG21 H 1 0.416 0.001 . . . . . . A 58 ILE HG21 . 34139 1 671 . 1 1 58 58 ILE HG22 H 1 0.416 0.001 . . . . . . A 58 ILE HG22 . 34139 1 672 . 1 1 58 58 ILE HG23 H 1 0.416 0.001 . . . . . . A 58 ILE HG23 . 34139 1 673 . 1 1 58 58 ILE HD11 H 1 0.611 0.002 . . . . . . A 58 ILE HD11 . 34139 1 674 . 1 1 58 58 ILE HD12 H 1 0.611 0.002 . . . . . . A 58 ILE HD12 . 34139 1 675 . 1 1 58 58 ILE HD13 H 1 0.611 0.002 . . . . . . A 58 ILE HD13 . 34139 1 676 . 1 1 58 58 ILE C C 13 173.897 0.001 . . . . . . A 58 ILE C . 34139 1 677 . 1 1 58 58 ILE CA C 13 58.350 0.048 . . . . . . A 58 ILE CA . 34139 1 678 . 1 1 58 58 ILE CB C 13 42.232 0.039 . . . . . . A 58 ILE CB . 34139 1 679 . 1 1 58 58 ILE CG1 C 13 27.076 0.034 . . . . . . A 58 ILE CG1 . 34139 1 680 . 1 1 58 58 ILE CG2 C 13 18.165 0.028 . . . . . . A 58 ILE CG2 . 34139 1 681 . 1 1 58 58 ILE CD1 C 13 12.365 0.009 . . . . . . A 58 ILE CD1 . 34139 1 682 . 1 1 58 58 ILE N N 15 127.509 0.022 . . . . . . A 58 ILE N . 34139 1 683 . 1 1 59 59 VAL H H 1 8.039 0.002 . . . . . . A 59 VAL H . 34139 1 684 . 1 1 59 59 VAL HA H 1 4.662 0.009 . . . . . . A 59 VAL HA . 34139 1 685 . 1 1 59 59 VAL HB H 1 1.944 0.005 . . . . . . A 59 VAL HB . 34139 1 686 . 1 1 59 59 VAL HG11 H 1 0.945 0.002 . . . . . . A 59 VAL HG11 . 34139 1 687 . 1 1 59 59 VAL HG12 H 1 0.945 0.002 . . . . . . A 59 VAL HG12 . 34139 1 688 . 1 1 59 59 VAL HG13 H 1 0.945 0.002 . . . . . . A 59 VAL HG13 . 34139 1 689 . 1 1 59 59 VAL HG21 H 1 0.846 0.007 . . . . . . A 59 VAL HG21 . 34139 1 690 . 1 1 59 59 VAL HG22 H 1 0.846 0.007 . . . . . . A 59 VAL HG22 . 34139 1 691 . 1 1 59 59 VAL HG23 H 1 0.846 0.007 . . . . . . A 59 VAL HG23 . 34139 1 692 . 1 1 59 59 VAL C C 13 175.522 0.002 . . . . . . A 59 VAL C . 34139 1 693 . 1 1 59 59 VAL CA C 13 62.182 0.054 . . . . . . A 59 VAL CA . 34139 1 694 . 1 1 59 59 VAL CB C 13 31.604 0.041 . . . . . . A 59 VAL CB . 34139 1 695 . 1 1 59 59 VAL CG1 C 13 20.886 0.010 . . . . . . A 59 VAL CG1 . 34139 1 696 . 1 1 59 59 VAL CG2 C 13 21.095 0.012 . . . . . . A 59 VAL CG2 . 34139 1 697 . 1 1 59 59 VAL N N 15 128.263 0.018 . . . . . . A 59 VAL N . 34139 1 698 . 1 1 60 60 TYR H H 1 8.838 0.003 . . . . . . A 60 TYR H . 34139 1 699 . 1 1 60 60 TYR HA H 1 5.420 0.005 . . . . . . A 60 TYR HA . 34139 1 700 . 1 1 60 60 TYR HB2 H 1 3.961 0.008 . . . . . . A 60 TYR HB2 . 34139 1 701 . 1 1 60 60 TYR HB3 H 1 2.618 0.017 . . . . . . A 60 TYR HB3 . 34139 1 702 . 1 1 60 60 TYR HD1 H 1 7.374 0.003 . . . . . . A 60 TYR HD1 . 34139 1 703 . 1 1 60 60 TYR HE1 H 1 7.025 0.001 . . . . . . A 60 TYR HE1 . 34139 1 704 . 1 1 60 60 TYR C C 13 174.284 0.009 . . . . . . A 60 TYR C . 34139 1 705 . 1 1 60 60 TYR CA C 13 55.846 0.025 . . . . . . A 60 TYR CA . 34139 1 706 . 1 1 60 60 TYR CB C 13 42.380 0.107 . . . . . . A 60 TYR CB . 34139 1 707 . 1 1 60 60 TYR CD1 C 13 135.734 0.077 . . . . . . A 60 TYR CD1 . 34139 1 708 . 1 1 60 60 TYR CE1 C 13 135.197 0.007 . . . . . . A 60 TYR CE1 . 34139 1 709 . 1 1 60 60 TYR N N 15 126.920 0.019 . . . . . . A 60 TYR N . 34139 1 710 . 1 1 61 61 ASP H H 1 8.832 0.003 . . . . . . A 61 ASP H . 34139 1 711 . 1 1 61 61 ASP HA H 1 5.455 0.003 . . . . . . A 61 ASP HA . 34139 1 712 . 1 1 61 61 ASP HB2 H 1 3.072 0.010 . . . . . . A 61 ASP HB2 . 34139 1 713 . 1 1 61 61 ASP HB3 H 1 2.439 0.003 . . . . . . A 61 ASP HB3 . 34139 1 714 . 1 1 61 61 ASP C C 13 177.988 0.006 . . . . . . A 61 ASP C . 34139 1 715 . 1 1 61 61 ASP CA C 13 54.242 0.082 . . . . . . A 61 ASP CA . 34139 1 716 . 1 1 61 61 ASP CB C 13 43.479 0.021 . . . . . . A 61 ASP CB . 34139 1 717 . 1 1 61 61 ASP N N 15 115.085 0.011 . . . . . . A 61 ASP N . 34139 1 718 . 1 1 62 62 GLU H H 1 8.115 0.003 . . . . . . A 62 GLU H . 34139 1 719 . 1 1 62 62 GLU HA H 1 5.109 0.009 . . . . . . A 62 GLU HA . 34139 1 720 . 1 1 62 62 GLU HB2 H 1 2.106 0.005 . . . . . . A 62 GLU HB2 . 34139 1 721 . 1 1 62 62 GLU HB3 H 1 1.835 0.006 . . . . . . A 62 GLU HB3 . 34139 1 722 . 1 1 62 62 GLU HG2 H 1 2.291 0.004 . . . . . . A 62 GLU HG2 . 34139 1 723 . 1 1 62 62 GLU HG3 H 1 2.367 0.004 . . . . . . A 62 GLU HG3 . 34139 1 724 . 1 1 62 62 GLU C C 13 173.620 0.000 . . . . . . A 62 GLU C . 34139 1 725 . 1 1 62 62 GLU CA C 13 55.794 0.037 . . . . . . A 62 GLU CA . 34139 1 726 . 1 1 62 62 GLU CB C 13 35.471 0.092 . . . . . . A 62 GLU CB . 34139 1 727 . 1 1 62 62 GLU CG C 13 37.257 0.077 . . . . . . A 62 GLU CG . 34139 1 728 . 1 1 62 62 GLU N N 15 124.281 0.013 . . . . . . A 62 GLU N . 34139 1 729 . 1 1 63 63 VAL H H 1 8.824 0.002 . . . . . . A 63 VAL H . 34139 1 730 . 1 1 63 63 VAL HA H 1 5.739 0.003 . . . . . . A 63 VAL HA . 34139 1 731 . 1 1 63 63 VAL HB H 1 1.920 0.005 . . . . . . A 63 VAL HB . 34139 1 732 . 1 1 63 63 VAL HG11 H 1 1.008 0.001 . . . . . . A 63 VAL HG11 . 34139 1 733 . 1 1 63 63 VAL HG12 H 1 1.008 0.001 . . . . . . A 63 VAL HG12 . 34139 1 734 . 1 1 63 63 VAL HG13 H 1 1.008 0.001 . . . . . . A 63 VAL HG13 . 34139 1 735 . 1 1 63 63 VAL HG21 H 1 0.929 0.000 . . . . . . A 63 VAL HG21 . 34139 1 736 . 1 1 63 63 VAL HG22 H 1 0.929 0.000 . . . . . . A 63 VAL HG22 . 34139 1 737 . 1 1 63 63 VAL HG23 H 1 0.929 0.000 . . . . . . A 63 VAL HG23 . 34139 1 738 . 1 1 63 63 VAL C C 13 175.470 0.005 . . . . . . A 63 VAL C . 34139 1 739 . 1 1 63 63 VAL CA C 13 59.792 0.052 . . . . . . A 63 VAL CA . 34139 1 740 . 1 1 63 63 VAL CB C 13 35.621 0.060 . . . . . . A 63 VAL CB . 34139 1 741 . 1 1 63 63 VAL CG1 C 13 22.523 0.024 . . . . . . A 63 VAL CG1 . 34139 1 742 . 1 1 63 63 VAL CG2 C 13 22.079 0.050 . . . . . . A 63 VAL CG2 . 34139 1 743 . 1 1 63 63 VAL N N 15 121.730 0.042 . . . . . . A 63 VAL N . 34139 1 744 . 1 1 64 64 CYS H H 1 9.396 0.005 . . . . . . A 64 CYS H . 34139 1 745 . 1 1 64 64 CYS HA H 1 6.337 0.008 . . . . . . A 64 CYS HA . 34139 1 746 . 1 1 64 64 CYS HB2 H 1 2.943 0.008 . . . . . . A 64 CYS HB2 . 34139 1 747 . 1 1 64 64 CYS HB3 H 1 2.455 0.002 . . . . . . A 64 CYS HB3 . 34139 1 748 . 1 1 64 64 CYS C C 13 174.248 0.005 . . . . . . A 64 CYS C . 34139 1 749 . 1 1 64 64 CYS CA C 13 56.100 0.128 . . . . . . A 64 CYS CA . 34139 1 750 . 1 1 64 64 CYS CB C 13 33.067 0.024 . . . . . . A 64 CYS CB . 34139 1 751 . 1 1 64 64 CYS N N 15 118.152 0.027 . . . . . . A 64 CYS N . 34139 1 752 . 1 1 65 65 ILE H H 1 9.804 0.002 . . . . . . A 65 ILE H . 34139 1 753 . 1 1 65 65 ILE HA H 1 5.269 0.005 . . . . . . A 65 ILE HA . 34139 1 754 . 1 1 65 65 ILE HB H 1 1.534 0.002 . . . . . . A 65 ILE HB . 34139 1 755 . 1 1 65 65 ILE HG12 H 1 1.505 0.004 . . . . . . A 65 ILE HG12 . 34139 1 756 . 1 1 65 65 ILE HG13 H 1 0.966 0.012 . . . . . . A 65 ILE HG13 . 34139 1 757 . 1 1 65 65 ILE HG21 H 1 0.862 0.001 . . . . . . A 65 ILE HG21 . 34139 1 758 . 1 1 65 65 ILE HG22 H 1 0.862 0.001 . . . . . . A 65 ILE HG22 . 34139 1 759 . 1 1 65 65 ILE HG23 H 1 0.862 0.001 . . . . . . A 65 ILE HG23 . 34139 1 760 . 1 1 65 65 ILE HD11 H 1 -0.150 0.001 . . . . . . A 65 ILE HD11 . 34139 1 761 . 1 1 65 65 ILE HD12 H 1 -0.150 0.001 . . . . . . A 65 ILE HD12 . 34139 1 762 . 1 1 65 65 ILE HD13 H 1 -0.150 0.001 . . . . . . A 65 ILE HD13 . 34139 1 763 . 1 1 65 65 ILE C C 13 176.206 0.001 . . . . . . A 65 ILE C . 34139 1 764 . 1 1 65 65 ILE CA C 13 61.631 0.059 . . . . . . A 65 ILE CA . 34139 1 765 . 1 1 65 65 ILE CB C 13 41.417 0.071 . . . . . . A 65 ILE CB . 34139 1 766 . 1 1 65 65 ILE CG1 C 13 28.076 0.047 . . . . . . A 65 ILE CG1 . 34139 1 767 . 1 1 65 65 ILE CG2 C 13 17.269 0.036 . . . . . . A 65 ILE CG2 . 34139 1 768 . 1 1 65 65 ILE CD1 C 13 14.014 0.038 . . . . . . A 65 ILE CD1 . 34139 1 769 . 1 1 65 65 ILE N N 15 121.988 0.022 . . . . . . A 65 ILE N . 34139 1 770 . 1 1 66 66 GLN H H 1 8.930 0.003 . . . . . . A 66 GLN H . 34139 1 771 . 1 1 66 66 GLN HA H 1 4.622 0.000 . . . . . . A 66 GLN HA . 34139 1 772 . 1 1 66 66 GLN HB2 H 1 2.338 0.000 . . . . . . A 66 GLN HB2 . 34139 1 773 . 1 1 66 66 GLN HB3 H 1 1.725 0.001 . . . . . . A 66 GLN HB3 . 34139 1 774 . 1 1 66 66 GLN HG2 H 1 1.596 0.000 . . . . . . A 66 GLN HG2 . 34139 1 775 . 1 1 66 66 GLN HG3 H 1 1.076 0.000 . . . . . . A 66 GLN HG3 . 34139 1 776 . 1 1 66 66 GLN HE21 H 1 6.529 0.000 . . . . . . A 66 GLN HE21 . 34139 1 777 . 1 1 66 66 GLN HE22 H 1 7.770 0.000 . . . . . . A 66 GLN HE22 . 34139 1 778 . 1 1 66 66 GLN C C 13 176.041 0.013 . . . . . . A 66 GLN C . 34139 1 779 . 1 1 66 66 GLN CA C 13 55.349 0.091 . . . . . . A 66 GLN CA . 34139 1 780 . 1 1 66 66 GLN CB C 13 31.215 0.012 . . . . . . A 66 GLN CB . 34139 1 781 . 1 1 66 66 GLN CG C 13 34.728 0.001 . . . . . . A 66 GLN CG . 34139 1 782 . 1 1 66 66 GLN N N 15 125.982 0.020 . . . . . . A 66 GLN N . 34139 1 783 . 1 1 66 66 GLN NE2 N 15 116.113 0.001 . . . . . . A 66 GLN NE2 . 34139 1 784 . 1 1 67 67 ALA H H 1 9.922 0.002 . . . . . . A 67 ALA H . 34139 1 785 . 1 1 67 67 ALA HA H 1 4.517 0.007 . . . . . . A 67 ALA HA . 34139 1 786 . 1 1 67 67 ALA HB1 H 1 1.893 0.002 . . . . . . A 67 ALA HB1 . 34139 1 787 . 1 1 67 67 ALA HB2 H 1 1.893 0.002 . . . . . . A 67 ALA HB2 . 34139 1 788 . 1 1 67 67 ALA HB3 H 1 1.893 0.002 . . . . . . A 67 ALA HB3 . 34139 1 789 . 1 1 67 67 ALA C C 13 178.506 0.007 . . . . . . A 67 ALA C . 34139 1 790 . 1 1 67 67 ALA CA C 13 53.498 0.104 . . . . . . A 67 ALA CA . 34139 1 791 . 1 1 67 67 ALA CB C 13 18.316 0.017 . . . . . . A 67 ALA CB . 34139 1 792 . 1 1 67 67 ALA N N 15 131.319 0.038 . . . . . . A 67 ALA N . 34139 1 793 . 1 1 68 68 GLY H H 1 9.699 0.005 . . . . . . A 68 GLY H . 34139 1 794 . 1 1 68 68 GLY HA2 H 1 4.072 0.012 . . . . . . A 68 GLY HA2 . 34139 1 795 . 1 1 68 68 GLY HA3 H 1 3.795 0.007 . . . . . . A 68 GLY HA3 . 34139 1 796 . 1 1 68 68 GLY C C 13 174.824 0.000 . . . . . . A 68 GLY C . 34139 1 797 . 1 1 68 68 GLY CA C 13 46.399 0.043 . . . . . . A 68 GLY CA . 34139 1 798 . 1 1 68 68 GLY N N 15 107.673 0.036 . . . . . . A 68 GLY N . 34139 1 799 . 1 1 69 69 HIS H H 1 8.340 0.004 . . . . . . A 69 HIS H . 34139 1 800 . 1 1 69 69 HIS HA H 1 4.807 0.007 . . . . . . A 69 HIS HA . 34139 1 801 . 1 1 69 69 HIS HB2 H 1 2.526 0.007 . . . . . . A 69 HIS HB2 . 34139 1 802 . 1 1 69 69 HIS HB3 H 1 2.232 0.000 . . . . . . A 69 HIS HB3 . 34139 1 803 . 1 1 69 69 HIS HD2 H 1 6.326 0.002 . . . . . . A 69 HIS HD2 . 34139 1 804 . 1 1 69 69 HIS HE1 H 1 7.791 0.001 . . . . . . A 69 HIS HE1 . 34139 1 805 . 1 1 69 69 HIS C C 13 173.657 0.003 . . . . . . A 69 HIS C . 34139 1 806 . 1 1 69 69 HIS CA C 13 56.185 0.116 . . . . . . A 69 HIS CA . 34139 1 807 . 1 1 69 69 HIS CB C 13 31.843 0.021 . . . . . . A 69 HIS CB . 34139 1 808 . 1 1 69 69 HIS CD2 C 13 127.754 0.000 . . . . . . A 69 HIS CD2 . 34139 1 809 . 1 1 69 69 HIS CE1 C 13 139.255 0.113 . . . . . . A 69 HIS CE1 . 34139 1 810 . 1 1 69 69 HIS N N 15 118.303 0.012 . . . . . . A 69 HIS N . 34139 1 811 . 1 1 70 70 ILE H H 1 8.086 0.006 . . . . . . A 70 ILE H . 34139 1 812 . 1 1 70 70 ILE HA H 1 5.234 0.006 . . . . . . A 70 ILE HA . 34139 1 813 . 1 1 70 70 ILE HB H 1 1.246 0.002 . . . . . . A 70 ILE HB . 34139 1 814 . 1 1 70 70 ILE HG12 H 1 1.379 0.005 . . . . . . A 70 ILE HG12 . 34139 1 815 . 1 1 70 70 ILE HG13 H 1 1.024 0.008 . . . . . . A 70 ILE HG13 . 34139 1 816 . 1 1 70 70 ILE HG21 H 1 0.891 0.006 . . . . . . A 70 ILE HG21 . 34139 1 817 . 1 1 70 70 ILE HG22 H 1 0.891 0.006 . . . . . . A 70 ILE HG22 . 34139 1 818 . 1 1 70 70 ILE HG23 H 1 0.891 0.006 . . . . . . A 70 ILE HG23 . 34139 1 819 . 1 1 70 70 ILE HD11 H 1 0.781 0.002 . . . . . . A 70 ILE HD11 . 34139 1 820 . 1 1 70 70 ILE HD12 H 1 0.781 0.002 . . . . . . A 70 ILE HD12 . 34139 1 821 . 1 1 70 70 ILE HD13 H 1 0.781 0.002 . . . . . . A 70 ILE HD13 . 34139 1 822 . 1 1 70 70 ILE C C 13 174.597 0.000 . . . . . . A 70 ILE C . 34139 1 823 . 1 1 70 70 ILE CA C 13 60.879 0.030 . . . . . . A 70 ILE CA . 34139 1 824 . 1 1 70 70 ILE CB C 13 39.035 0.064 . . . . . . A 70 ILE CB . 34139 1 825 . 1 1 70 70 ILE CG1 C 13 30.639 0.071 . . . . . . A 70 ILE CG1 . 34139 1 826 . 1 1 70 70 ILE CG2 C 13 17.473 0.026 . . . . . . A 70 ILE CG2 . 34139 1 827 . 1 1 70 70 ILE CD1 C 13 13.678 0.023 . . . . . . A 70 ILE CD1 . 34139 1 828 . 1 1 70 70 ILE N N 15 119.029 0.020 . . . . . . A 70 ILE N . 34139 1 829 . 1 1 71 71 TRP H H 1 9.823 0.006 . . . . . . A 71 TRP H . 34139 1 830 . 1 1 71 71 TRP HA H 1 5.490 0.006 . . . . . . A 71 TRP HA . 34139 1 831 . 1 1 71 71 TRP HB2 H 1 3.191 0.011 . . . . . . A 71 TRP HB2 . 34139 1 832 . 1 1 71 71 TRP HB3 H 1 2.773 0.008 . . . . . . A 71 TRP HB3 . 34139 1 833 . 1 1 71 71 TRP HD1 H 1 7.147 0.004 . . . . . . A 71 TRP HD1 . 34139 1 834 . 1 1 71 71 TRP HE1 H 1 10.326 0.003 . . . . . . A 71 TRP HE1 . 34139 1 835 . 1 1 71 71 TRP HE3 H 1 7.047 0.003 . . . . . . A 71 TRP HE3 . 34139 1 836 . 1 1 71 71 TRP HZ2 H 1 6.730 0.005 . . . . . . A 71 TRP HZ2 . 34139 1 837 . 1 1 71 71 TRP HZ3 H 1 6.813 0.002 . . . . . . A 71 TRP HZ3 . 34139 1 838 . 1 1 71 71 TRP HH2 H 1 6.586 0.004 . . . . . . A 71 TRP HH2 . 34139 1 839 . 1 1 71 71 TRP C C 13 176.213 0.000 . . . . . . A 71 TRP C . 34139 1 840 . 1 1 71 71 TRP CA C 13 54.309 0.047 . . . . . . A 71 TRP CA . 34139 1 841 . 1 1 71 71 TRP CB C 13 31.870 0.039 . . . . . . A 71 TRP CB . 34139 1 842 . 1 1 71 71 TRP CD1 C 13 127.395 0.055 . . . . . . A 71 TRP CD1 . 34139 1 843 . 1 1 71 71 TRP CE3 C 13 120.075 0.069 . . . . . . A 71 TRP CE3 . 34139 1 844 . 1 1 71 71 TRP CZ2 C 13 113.722 0.044 . . . . . . A 71 TRP CZ2 . 34139 1 845 . 1 1 71 71 TRP CZ3 C 13 121.290 0.087 . . . . . . A 71 TRP CZ3 . 34139 1 846 . 1 1 71 71 TRP CH2 C 13 123.386 0.063 . . . . . . A 71 TRP CH2 . 34139 1 847 . 1 1 71 71 TRP N N 15 127.016 0.024 . . . . . . A 71 TRP N . 34139 1 848 . 1 1 71 71 TRP NE1 N 15 133.310 0.027 . . . . . . A 71 TRP NE1 . 34139 1 849 . 1 1 72 72 ILE H H 1 8.885 0.003 . . . . . . A 72 ILE H . 34139 1 850 . 1 1 72 72 ILE HA H 1 5.478 0.006 . . . . . . A 72 ILE HA . 34139 1 851 . 1 1 72 72 ILE HB H 1 1.504 0.003 . . . . . . A 72 ILE HB . 34139 1 852 . 1 1 72 72 ILE HG12 H 1 1.615 0.002 . . . . . . A 72 ILE HG12 . 34139 1 853 . 1 1 72 72 ILE HG13 H 1 1.117 0.004 . . . . . . A 72 ILE HG13 . 34139 1 854 . 1 1 72 72 ILE HG21 H 1 0.113 0.004 . . . . . . A 72 ILE HG21 . 34139 1 855 . 1 1 72 72 ILE HG22 H 1 0.113 0.004 . . . . . . A 72 ILE HG22 . 34139 1 856 . 1 1 72 72 ILE HG23 H 1 0.113 0.004 . . . . . . A 72 ILE HG23 . 34139 1 857 . 1 1 72 72 ILE HD11 H 1 0.461 0.001 . . . . . . A 72 ILE HD11 . 34139 1 858 . 1 1 72 72 ILE HD12 H 1 0.461 0.001 . . . . . . A 72 ILE HD12 . 34139 1 859 . 1 1 72 72 ILE HD13 H 1 0.461 0.001 . . . . . . A 72 ILE HD13 . 34139 1 860 . 1 1 72 72 ILE C C 13 175.282 0.010 . . . . . . A 72 ILE C . 34139 1 861 . 1 1 72 72 ILE CA C 13 59.182 0.052 . . . . . . A 72 ILE CA . 34139 1 862 . 1 1 72 72 ILE CB C 13 39.649 0.118 . . . . . . A 72 ILE CB . 34139 1 863 . 1 1 72 72 ILE CG1 C 13 25.373 0.011 . . . . . . A 72 ILE CG1 . 34139 1 864 . 1 1 72 72 ILE CG2 C 13 15.876 0.015 . . . . . . A 72 ILE CG2 . 34139 1 865 . 1 1 72 72 ILE CD1 C 13 14.346 0.018 . . . . . . A 72 ILE CD1 . 34139 1 866 . 1 1 72 72 ILE N N 15 113.302 0.017 . . . . . . A 72 ILE N . 34139 1 867 . 1 1 73 73 GLY H H 1 9.041 0.003 . . . . . . A 73 GLY H . 34139 1 868 . 1 1 73 73 GLY HA2 H 1 5.080 0.016 . . . . . . A 73 GLY HA2 . 34139 1 869 . 1 1 73 73 GLY HA3 H 1 3.060 0.004 . . . . . . A 73 GLY HA3 . 34139 1 870 . 1 1 73 73 GLY C C 13 172.030 0.000 . . . . . . A 73 GLY C . 34139 1 871 . 1 1 73 73 GLY CA C 13 45.024 0.019 . . . . . . A 73 GLY CA . 34139 1 872 . 1 1 73 73 GLY N N 15 109.696 0.018 . . . . . . A 73 GLY N . 34139 1 873 . 1 1 74 74 TYR H H 1 8.413 0.003 . . . . . . A 74 TYR H . 34139 1 874 . 1 1 74 74 TYR HA H 1 4.900 0.007 . . . . . . A 74 TYR HA . 34139 1 875 . 1 1 74 74 TYR HB2 H 1 3.296 0.002 . . . . . . A 74 TYR HB2 . 34139 1 876 . 1 1 74 74 TYR HB3 H 1 3.078 0.009 . . . . . . A 74 TYR HB3 . 34139 1 877 . 1 1 74 74 TYR HD1 H 1 6.616 0.003 . . . . . . A 74 TYR HD1 . 34139 1 878 . 1 1 74 74 TYR HE1 H 1 6.483 0.002 . . . . . . A 74 TYR HE1 . 34139 1 879 . 1 1 74 74 TYR C C 13 172.628 0.003 . . . . . . A 74 TYR C . 34139 1 880 . 1 1 74 74 TYR CA C 13 56.320 0.076 . . . . . . A 74 TYR CA . 34139 1 881 . 1 1 74 74 TYR CB C 13 40.033 0.028 . . . . . . A 74 TYR CB . 34139 1 882 . 1 1 74 74 TYR CD1 C 13 133.971 0.086 . . . . . . A 74 TYR CD1 . 34139 1 883 . 1 1 74 74 TYR CE1 C 13 117.326 0.046 . . . . . . A 74 TYR CE1 . 34139 1 884 . 1 1 74 74 TYR N N 15 117.780 0.021 . . . . . . A 74 TYR N . 34139 1 885 . 1 1 75 75 ASN H H 1 8.841 0.003 . . . . . . A 75 ASN H . 34139 1 886 . 1 1 75 75 ASN HA H 1 5.279 0.006 . . . . . . A 75 ASN HA . 34139 1 887 . 1 1 75 75 ASN HB2 H 1 2.753 0.010 . . . . . . A 75 ASN HB2 . 34139 1 888 . 1 1 75 75 ASN HB3 H 1 2.576 0.007 . . . . . . A 75 ASN HB3 . 34139 1 889 . 1 1 75 75 ASN HD21 H 1 7.501 0.001 . . . . . . A 75 ASN HD21 . 34139 1 890 . 1 1 75 75 ASN HD22 H 1 7.086 0.002 . . . . . . A 75 ASN HD22 . 34139 1 891 . 1 1 75 75 ASN C C 13 175.346 0.003 . . . . . . A 75 ASN C . 34139 1 892 . 1 1 75 75 ASN CA C 13 51.938 0.023 . . . . . . A 75 ASN CA . 34139 1 893 . 1 1 75 75 ASN CB C 13 39.338 0.018 . . . . . . A 75 ASN CB . 34139 1 894 . 1 1 75 75 ASN N N 15 117.171 0.021 . . . . . . A 75 ASN N . 34139 1 895 . 1 1 75 75 ASN ND2 N 15 114.997 0.026 . . . . . . A 75 ASN ND2 . 34139 1 896 . 1 1 76 76 ALA H H 1 8.856 0.002 . . . . . . A 76 ALA H . 34139 1 897 . 1 1 76 76 ALA HA H 1 4.622 0.001 . . . . . . A 76 ALA HA . 34139 1 898 . 1 1 76 76 ALA HB1 H 1 1.492 0.007 . . . . . . A 76 ALA HB1 . 34139 1 899 . 1 1 76 76 ALA HB2 H 1 1.492 0.007 . . . . . . A 76 ALA HB2 . 34139 1 900 . 1 1 76 76 ALA HB3 H 1 1.492 0.007 . . . . . . A 76 ALA HB3 . 34139 1 901 . 1 1 76 76 ALA C C 13 179.057 0.000 . . . . . . A 76 ALA C . 34139 1 902 . 1 1 76 76 ALA CA C 13 51.279 0.028 . . . . . . A 76 ALA CA . 34139 1 903 . 1 1 76 76 ALA CB C 13 20.467 0.016 . . . . . . A 76 ALA CB . 34139 1 904 . 1 1 76 76 ALA N N 15 126.160 0.013 . . . . . . A 76 ALA N . 34139 1 905 . 1 1 77 77 TYR H H 1 8.665 0.000 . . . . . . A 77 TYR H . 34139 1 906 . 1 1 77 77 TYR HA H 1 4.347 0.005 . . . . . . A 77 TYR HA . 34139 1 907 . 1 1 77 77 TYR HB2 H 1 3.191 0.001 . . . . . . A 77 TYR HB2 . 34139 1 908 . 1 1 77 77 TYR HB3 H 1 3.123 0.002 . . . . . . A 77 TYR HB3 . 34139 1 909 . 1 1 77 77 TYR HD1 H 1 7.179 0.001 . . . . . . A 77 TYR HD1 . 34139 1 910 . 1 1 77 77 TYR HE1 H 1 6.884 0.002 . . . . . . A 77 TYR HE1 . 34139 1 911 . 1 1 77 77 TYR C C 13 175.981 0.000 . . . . . . A 77 TYR C . 34139 1 912 . 1 1 77 77 TYR CA C 13 60.079 0.047 . . . . . . A 77 TYR CA . 34139 1 913 . 1 1 77 77 TYR CB C 13 37.579 0.021 . . . . . . A 77 TYR CB . 34139 1 914 . 1 1 77 77 TYR CD1 C 13 133.338 0.090 . . . . . . A 77 TYR CD1 . 34139 1 915 . 1 1 77 77 TYR CE1 C 13 118.376 0.016 . . . . . . A 77 TYR CE1 . 34139 1 916 . 1 1 77 77 TYR N N 15 121.126 0.000 . . . . . . A 77 TYR N . 34139 1 917 . 1 1 78 78 ASN H H 1 7.497 0.002 . . . . . . A 78 ASN H . 34139 1 918 . 1 1 78 78 ASN HA H 1 4.414 0.009 . . . . . . A 78 ASN HA . 34139 1 919 . 1 1 78 78 ASN HB2 H 1 3.048 0.003 . . . . . . A 78 ASN HB2 . 34139 1 920 . 1 1 78 78 ASN HB3 H 1 2.517 0.003 . . . . . . A 78 ASN HB3 . 34139 1 921 . 1 1 78 78 ASN HD21 H 1 7.421 0.001 . . . . . . A 78 ASN HD21 . 34139 1 922 . 1 1 78 78 ASN HD22 H 1 6.576 0.004 . . . . . . A 78 ASN HD22 . 34139 1 923 . 1 1 78 78 ASN C C 13 175.985 0.006 . . . . . . A 78 ASN C . 34139 1 924 . 1 1 78 78 ASN CA C 13 52.288 0.059 . . . . . . A 78 ASN CA . 34139 1 925 . 1 1 78 78 ASN CB C 13 37.270 0.027 . . . . . . A 78 ASN CB . 34139 1 926 . 1 1 78 78 ASN N N 15 115.361 0.016 . . . . . . A 78 ASN N . 34139 1 927 . 1 1 78 78 ASN ND2 N 15 109.272 0.003 . . . . . . A 78 ASN ND2 . 34139 1 928 . 1 1 79 79 GLY H H 1 8.010 0.002 . . . . . . A 79 GLY H . 34139 1 929 . 1 1 79 79 GLY HA2 H 1 4.264 0.003 . . . . . . A 79 GLY HA2 . 34139 1 930 . 1 1 79 79 GLY HA3 H 1 3.602 0.006 . . . . . . A 79 GLY HA3 . 34139 1 931 . 1 1 79 79 GLY C C 13 174.620 0.000 . . . . . . A 79 GLY C . 34139 1 932 . 1 1 79 79 GLY CA C 13 45.071 0.030 . . . . . . A 79 GLY CA . 34139 1 933 . 1 1 79 79 GLY N N 15 107.173 0.013 . . . . . . A 79 GLY N . 34139 1 934 . 1 1 80 80 ASN H H 1 7.667 0.002 . . . . . . A 80 ASN H . 34139 1 935 . 1 1 80 80 ASN HA H 1 4.579 0.009 . . . . . . A 80 ASN HA . 34139 1 936 . 1 1 80 80 ASN HB2 H 1 2.648 0.007 . . . . . . A 80 ASN HB2 . 34139 1 937 . 1 1 80 80 ASN HB3 H 1 2.437 0.006 . . . . . . A 80 ASN HB3 . 34139 1 938 . 1 1 80 80 ASN HD21 H 1 7.287 0.001 . . . . . . A 80 ASN HD21 . 34139 1 939 . 1 1 80 80 ASN HD22 H 1 7.104 0.003 . . . . . . A 80 ASN HD22 . 34139 1 940 . 1 1 80 80 ASN C C 13 173.770 0.004 . . . . . . A 80 ASN C . 34139 1 941 . 1 1 80 80 ASN CA C 13 52.957 0.038 . . . . . . A 80 ASN CA . 34139 1 942 . 1 1 80 80 ASN CB C 13 38.993 0.033 . . . . . . A 80 ASN CB . 34139 1 943 . 1 1 80 80 ASN N N 15 118.491 0.008 . . . . . . A 80 ASN N . 34139 1 944 . 1 1 80 80 ASN ND2 N 15 111.548 0.020 . . . . . . A 80 ASN ND2 . 34139 1 945 . 1 1 81 81 ARG H H 1 8.623 0.003 . . . . . . A 81 ARG H . 34139 1 946 . 1 1 81 81 ARG HA H 1 4.557 0.007 . . . . . . A 81 ARG HA . 34139 1 947 . 1 1 81 81 ARG HB2 H 1 1.862 0.003 . . . . . . A 81 ARG HB2 . 34139 1 948 . 1 1 81 81 ARG HB3 H 1 1.637 0.020 . . . . . . A 81 ARG HB3 . 34139 1 949 . 1 1 81 81 ARG HG2 H 1 1.740 0.005 . . . . . . A 81 ARG HG2 . 34139 1 950 . 1 1 81 81 ARG HG3 H 1 1.249 0.008 . . . . . . A 81 ARG HG3 . 34139 1 951 . 1 1 81 81 ARG HD2 H 1 3.089 0.006 . . . . . . A 81 ARG HD2 . 34139 1 952 . 1 1 81 81 ARG HD3 H 1 2.963 0.000 . . . . . . A 81 ARG HD3 . 34139 1 953 . 1 1 81 81 ARG C C 13 174.432 0.005 . . . . . . A 81 ARG C . 34139 1 954 . 1 1 81 81 ARG CA C 13 54.706 0.038 . . . . . . A 81 ARG CA . 34139 1 955 . 1 1 81 81 ARG CB C 13 30.521 0.054 . . . . . . A 81 ARG CB . 34139 1 956 . 1 1 81 81 ARG CG C 13 25.917 0.004 . . . . . . A 81 ARG CG . 34139 1 957 . 1 1 81 81 ARG CD C 13 42.218 0.010 . . . . . . A 81 ARG CD . 34139 1 958 . 1 1 81 81 ARG N N 15 123.156 0.013 . . . . . . A 81 ARG N . 34139 1 959 . 1 1 82 82 VAL H H 1 8.658 0.003 . . . . . . A 82 VAL H . 34139 1 960 . 1 1 82 82 VAL HA H 1 4.546 0.008 . . . . . . A 82 VAL HA . 34139 1 961 . 1 1 82 82 VAL HB H 1 0.775 0.003 . . . . . . A 82 VAL HB . 34139 1 962 . 1 1 82 82 VAL HG11 H 1 0.777 0.006 . . . . . . A 82 VAL HG11 . 34139 1 963 . 1 1 82 82 VAL HG12 H 1 0.777 0.006 . . . . . . A 82 VAL HG12 . 34139 1 964 . 1 1 82 82 VAL HG13 H 1 0.777 0.006 . . . . . . A 82 VAL HG13 . 34139 1 965 . 1 1 82 82 VAL HG21 H 1 0.543 0.006 . . . . . . A 82 VAL HG21 . 34139 1 966 . 1 1 82 82 VAL HG22 H 1 0.543 0.006 . . . . . . A 82 VAL HG22 . 34139 1 967 . 1 1 82 82 VAL HG23 H 1 0.543 0.006 . . . . . . A 82 VAL HG23 . 34139 1 968 . 1 1 82 82 VAL C C 13 172.305 0.000 . . . . . . A 82 VAL C . 34139 1 969 . 1 1 82 82 VAL CA C 13 60.717 0.057 . . . . . . A 82 VAL CA . 34139 1 970 . 1 1 82 82 VAL CB C 13 34.383 0.043 . . . . . . A 82 VAL CB . 34139 1 971 . 1 1 82 82 VAL CG1 C 13 22.657 0.012 . . . . . . A 82 VAL CG1 . 34139 1 972 . 1 1 82 82 VAL CG2 C 13 21.888 0.012 . . . . . . A 82 VAL CG2 . 34139 1 973 . 1 1 82 82 VAL N N 15 128.403 0.016 . . . . . . A 82 VAL N . 34139 1 974 . 1 1 83 83 TYR H H 1 8.933 0.004 . . . . . . A 83 TYR H . 34139 1 975 . 1 1 83 83 TYR HA H 1 5.493 0.007 . . . . . . A 83 TYR HA . 34139 1 976 . 1 1 83 83 TYR HB2 H 1 2.712 0.002 . . . . . . A 83 TYR HB2 . 34139 1 977 . 1 1 83 83 TYR HB3 H 1 2.128 0.019 . . . . . . A 83 TYR HB3 . 34139 1 978 . 1 1 83 83 TYR C C 13 175.234 0.010 . . . . . . A 83 TYR C . 34139 1 979 . 1 1 83 83 TYR CA C 13 56.495 0.057 . . . . . . A 83 TYR CA . 34139 1 980 . 1 1 83 83 TYR CB C 13 42.435 0.054 . . . . . . A 83 TYR CB . 34139 1 981 . 1 1 83 83 TYR N N 15 119.071 0.021 . . . . . . A 83 TYR N . 34139 1 982 . 1 1 84 84 CYS H H 1 9.672 0.004 . . . . . . A 84 CYS H . 34139 1 983 . 1 1 84 84 CYS HA H 1 5.444 0.003 . . . . . . A 84 CYS HA . 34139 1 984 . 1 1 84 84 CYS HB2 H 1 3.119 0.002 . . . . . . A 84 CYS HB2 . 34139 1 985 . 1 1 84 84 CYS HB3 H 1 2.597 0.002 . . . . . . A 84 CYS HB3 . 34139 1 986 . 1 1 84 84 CYS C C 13 171.933 0.000 . . . . . . A 84 CYS C . 34139 1 987 . 1 1 84 84 CYS CA C 13 54.175 0.012 . . . . . . A 84 CYS CA . 34139 1 988 . 1 1 84 84 CYS CB C 13 29.784 0.028 . . . . . . A 84 CYS CB . 34139 1 989 . 1 1 84 84 CYS N N 15 124.390 0.039 . . . . . . A 84 CYS N . 34139 1 990 . 1 1 85 85 PRO HA H 1 4.191 0.033 . . . . . . A 85 PRO HA . 34139 1 991 . 1 1 85 85 PRO C C 13 175.489 0.000 . . . . . . A 85 PRO C . 34139 1 992 . 1 1 85 85 PRO CA C 13 62.601 0.035 . . . . . . A 85 PRO CA . 34139 1 993 . 1 1 85 85 PRO CB C 13 29.365 0.000 . . . . . . A 85 PRO CB . 34139 1 994 . 1 1 86 86 VAL H H 1 8.360 0.003 . . . . . . A 86 VAL H . 34139 1 995 . 1 1 86 86 VAL HA H 1 4.407 0.005 . . . . . . A 86 VAL HA . 34139 1 996 . 1 1 86 86 VAL HB H 1 1.924 0.004 . . . . . . A 86 VAL HB . 34139 1 997 . 1 1 86 86 VAL HG11 H 1 0.483 0.005 . . . . . . A 86 VAL HG11 . 34139 1 998 . 1 1 86 86 VAL HG12 H 1 0.483 0.005 . . . . . . A 86 VAL HG12 . 34139 1 999 . 1 1 86 86 VAL HG13 H 1 0.483 0.005 . . . . . . A 86 VAL HG13 . 34139 1 1000 . 1 1 86 86 VAL HG21 H 1 -0.081 0.000 . . . . . . A 86 VAL HG21 . 34139 1 1001 . 1 1 86 86 VAL HG22 H 1 -0.081 0.000 . . . . . . A 86 VAL HG22 . 34139 1 1002 . 1 1 86 86 VAL HG23 H 1 -0.081 0.000 . . . . . . A 86 VAL HG23 . 34139 1 1003 . 1 1 86 86 VAL C C 13 173.601 0.008 . . . . . . A 86 VAL C . 34139 1 1004 . 1 1 86 86 VAL CA C 13 61.031 0.023 . . . . . . A 86 VAL CA . 34139 1 1005 . 1 1 86 86 VAL CB C 13 33.475 0.049 . . . . . . A 86 VAL CB . 34139 1 1006 . 1 1 86 86 VAL CG1 C 13 18.451 0.015 . . . . . . A 86 VAL CG1 . 34139 1 1007 . 1 1 86 86 VAL CG2 C 13 21.668 0.021 . . . . . . A 86 VAL CG2 . 34139 1 1008 . 1 1 86 86 VAL N N 15 109.309 0.028 . . . . . . A 86 VAL N . 34139 1 1009 . 1 1 87 87 ARG H H 1 6.712 0.008 . . . . . . A 87 ARG H . 34139 1 1010 . 1 1 87 87 ARG HA H 1 3.124 0.008 . . . . . . A 87 ARG HA . 34139 1 1011 . 1 1 87 87 ARG HB2 H 1 2.163 0.010 . . . . . . A 87 ARG HB2 . 34139 1 1012 . 1 1 87 87 ARG HB3 H 1 1.401 0.011 . . . . . . A 87 ARG HB3 . 34139 1 1013 . 1 1 87 87 ARG HG2 H 1 1.507 0.000 . . . . . . A 87 ARG HG2 . 34139 1 1014 . 1 1 87 87 ARG HG3 H 1 1.379 0.000 . . . . . . A 87 ARG HG3 . 34139 1 1015 . 1 1 87 87 ARG HD2 H 1 2.692 0.004 . . . . . . A 87 ARG HD2 . 34139 1 1016 . 1 1 87 87 ARG HD3 H 1 2.692 0.004 . . . . . . A 87 ARG HD3 . 34139 1 1017 . 1 1 87 87 ARG C C 13 175.430 0.001 . . . . . . A 87 ARG C . 34139 1 1018 . 1 1 87 87 ARG CA C 13 54.373 0.066 . . . . . . A 87 ARG CA . 34139 1 1019 . 1 1 87 87 ARG CB C 13 32.034 0.057 . . . . . . A 87 ARG CB . 34139 1 1020 . 1 1 87 87 ARG CG C 13 22.606 0.000 . . . . . . A 87 ARG CG . 34139 1 1021 . 1 1 87 87 ARG CD C 13 44.735 0.025 . . . . . . A 87 ARG CD . 34139 1 1022 . 1 1 87 87 ARG N N 15 110.884 0.037 . . . . . . A 87 ARG N . 34139 1 1023 . 1 1 88 88 THR H H 1 8.870 0.003 . . . . . . A 88 THR H . 34139 1 1024 . 1 1 88 88 THR HA H 1 4.209 0.008 . . . . . . A 88 THR HA . 34139 1 1025 . 1 1 88 88 THR HB H 1 4.110 0.005 . . . . . . A 88 THR HB . 34139 1 1026 . 1 1 88 88 THR HG21 H 1 1.271 0.003 . . . . . . A 88 THR HG21 . 34139 1 1027 . 1 1 88 88 THR HG22 H 1 1.271 0.003 . . . . . . A 88 THR HG22 . 34139 1 1028 . 1 1 88 88 THR HG23 H 1 1.271 0.003 . . . . . . A 88 THR HG23 . 34139 1 1029 . 1 1 88 88 THR C C 13 174.233 0.008 . . . . . . A 88 THR C . 34139 1 1030 . 1 1 88 88 THR CA C 13 62.364 0.065 . . . . . . A 88 THR CA . 34139 1 1031 . 1 1 88 88 THR CB C 13 70.520 0.011 . . . . . . A 88 THR CB . 34139 1 1032 . 1 1 88 88 THR CG2 C 13 22.109 0.011 . . . . . . A 88 THR CG2 . 34139 1 1033 . 1 1 88 88 THR N N 15 111.102 0.017 . . . . . . A 88 THR N . 34139 1 1034 . 1 1 89 89 CYS H H 1 7.953 0.004 . . . . . . A 89 CYS H . 34139 1 1035 . 1 1 89 89 CYS HA H 1 4.450 0.006 . . . . . . A 89 CYS HA . 34139 1 1036 . 1 1 89 89 CYS HB2 H 1 2.334 0.010 . . . . . . A 89 CYS HB2 . 34139 1 1037 . 1 1 89 89 CYS HB3 H 1 2.260 0.002 . . . . . . A 89 CYS HB3 . 34139 1 1038 . 1 1 89 89 CYS C C 13 172.749 0.002 . . . . . . A 89 CYS C . 34139 1 1039 . 1 1 89 89 CYS CA C 13 59.678 0.039 . . . . . . A 89 CYS CA . 34139 1 1040 . 1 1 89 89 CYS CB C 13 29.431 0.046 . . . . . . A 89 CYS CB . 34139 1 1041 . 1 1 89 89 CYS N N 15 119.587 0.010 . . . . . . A 89 CYS N . 34139 1 1042 . 1 1 90 90 GLN H H 1 7.986 0.003 . . . . . . A 90 GLN H . 34139 1 1043 . 1 1 90 90 GLN HA H 1 4.589 0.006 . . . . . . A 90 GLN HA . 34139 1 1044 . 1 1 90 90 GLN HB2 H 1 2.059 0.003 . . . . . . A 90 GLN HB2 . 34139 1 1045 . 1 1 90 90 GLN HB3 H 1 1.912 0.003 . . . . . . A 90 GLN HB3 . 34139 1 1046 . 1 1 90 90 GLN HG2 H 1 2.335 0.003 . . . . . . A 90 GLN HG2 . 34139 1 1047 . 1 1 90 90 GLN HG3 H 1 2.296 0.005 . . . . . . A 90 GLN HG3 . 34139 1 1048 . 1 1 90 90 GLN HE21 H 1 6.838 0.000 . . . . . . A 90 GLN HE21 . 34139 1 1049 . 1 1 90 90 GLN HE22 H 1 7.536 0.000 . . . . . . A 90 GLN HE22 . 34139 1 1050 . 1 1 90 90 GLN C C 13 175.402 0.002 . . . . . . A 90 GLN C . 34139 1 1051 . 1 1 90 90 GLN CA C 13 54.291 0.046 . . . . . . A 90 GLN CA . 34139 1 1052 . 1 1 90 90 GLN CB C 13 31.022 0.055 . . . . . . A 90 GLN CB . 34139 1 1053 . 1 1 90 90 GLN CG C 13 33.773 0.012 . . . . . . A 90 GLN CG . 34139 1 1054 . 1 1 90 90 GLN N N 15 129.741 0.028 . . . . . . A 90 GLN N . 34139 1 1055 . 1 1 90 90 GLN NE2 N 15 112.172 0.004 . . . . . . A 90 GLN NE2 . 34139 1 1056 . 1 1 91 91 GLY H H 1 8.524 0.004 . . . . . . A 91 GLY H . 34139 1 1057 . 1 1 91 91 GLY HA2 H 1 4.051 0.012 . . . . . . A 91 GLY HA2 . 34139 1 1058 . 1 1 91 91 GLY HA3 H 1 3.670 0.006 . . . . . . A 91 GLY HA3 . 34139 1 1059 . 1 1 91 91 GLY C C 13 171.689 0.000 . . . . . . A 91 GLY C . 34139 1 1060 . 1 1 91 91 GLY CA C 13 44.174 0.031 . . . . . . A 91 GLY CA . 34139 1 1061 . 1 1 91 91 GLY N N 15 112.117 0.013 . . . . . . A 91 GLY N . 34139 1 1062 . 1 1 92 92 VAL H H 1 7.649 0.002 . . . . . . A 92 VAL H . 34139 1 1063 . 1 1 92 92 VAL HA H 1 4.134 0.001 . . . . . . A 92 VAL HA . 34139 1 1064 . 1 1 92 92 VAL HB H 1 1.298 0.006 . . . . . . A 92 VAL HB . 34139 1 1065 . 1 1 92 92 VAL HG11 H 1 0.801 0.004 . . . . . . A 92 VAL HG11 . 34139 1 1066 . 1 1 92 92 VAL HG12 H 1 0.801 0.004 . . . . . . A 92 VAL HG12 . 34139 1 1067 . 1 1 92 92 VAL HG13 H 1 0.801 0.004 . . . . . . A 92 VAL HG13 . 34139 1 1068 . 1 1 92 92 VAL HG21 H 1 0.594 0.007 . . . . . . A 92 VAL HG21 . 34139 1 1069 . 1 1 92 92 VAL HG22 H 1 0.594 0.007 . . . . . . A 92 VAL HG22 . 34139 1 1070 . 1 1 92 92 VAL HG23 H 1 0.594 0.007 . . . . . . A 92 VAL HG23 . 34139 1 1071 . 1 1 92 92 VAL C C 13 171.736 0.000 . . . . . . A 92 VAL C . 34139 1 1072 . 1 1 92 92 VAL CA C 13 57.775 0.022 . . . . . . A 92 VAL CA . 34139 1 1073 . 1 1 92 92 VAL CB C 13 32.166 0.021 . . . . . . A 92 VAL CB . 34139 1 1074 . 1 1 92 92 VAL CG1 C 13 21.626 0.039 . . . . . . A 92 VAL CG1 . 34139 1 1075 . 1 1 92 92 VAL CG2 C 13 17.270 0.021 . . . . . . A 92 VAL CG2 . 34139 1 1076 . 1 1 92 92 VAL N N 15 108.947 0.027 . . . . . . A 92 VAL N . 34139 1 1077 . 1 1 94 94 PRO HA H 1 4.368 0.009 . . . . . . A 94 PRO HA . 34139 1 1078 . 1 1 94 94 PRO HB2 H 1 2.329 0.010 . . . . . . A 94 PRO HB2 . 34139 1 1079 . 1 1 94 94 PRO HB3 H 1 2.000 0.006 . . . . . . A 94 PRO HB3 . 34139 1 1080 . 1 1 94 94 PRO HG2 H 1 1.887 0.003 . . . . . . A 94 PRO HG2 . 34139 1 1081 . 1 1 94 94 PRO HG3 H 1 1.516 0.008 . . . . . . A 94 PRO HG3 . 34139 1 1082 . 1 1 94 94 PRO HD2 H 1 3.248 0.006 . . . . . . A 94 PRO HD2 . 34139 1 1083 . 1 1 94 94 PRO HD3 H 1 3.248 0.006 . . . . . . A 94 PRO HD3 . 34139 1 1084 . 1 1 94 94 PRO C C 13 175.831 0.000 . . . . . . A 94 PRO C . 34139 1 1085 . 1 1 94 94 PRO CA C 13 64.387 0.038 . . . . . . A 94 PRO CA . 34139 1 1086 . 1 1 94 94 PRO CB C 13 33.467 0.035 . . . . . . A 94 PRO CB . 34139 1 1087 . 1 1 94 94 PRO CG C 13 24.206 0.075 . . . . . . A 94 PRO CG . 34139 1 1088 . 1 1 94 94 PRO CD C 13 48.966 0.033 . . . . . . A 94 PRO CD . 34139 1 1089 . 1 1 95 95 ASN H H 1 8.452 0.002 . . . . . . A 95 ASN H . 34139 1 1090 . 1 1 95 95 ASN HA H 1 4.896 0.005 . . . . . . A 95 ASN HA . 34139 1 1091 . 1 1 95 95 ASN HB2 H 1 2.935 0.008 . . . . . . A 95 ASN HB2 . 34139 1 1092 . 1 1 95 95 ASN HB3 H 1 2.446 0.009 . . . . . . A 95 ASN HB3 . 34139 1 1093 . 1 1 95 95 ASN HD21 H 1 7.702 0.002 . . . . . . A 95 ASN HD21 . 34139 1 1094 . 1 1 95 95 ASN HD22 H 1 6.981 0.002 . . . . . . A 95 ASN HD22 . 34139 1 1095 . 1 1 95 95 ASN C C 13 173.180 0.002 . . . . . . A 95 ASN C . 34139 1 1096 . 1 1 95 95 ASN CA C 13 52.991 0.021 . . . . . . A 95 ASN CA . 34139 1 1097 . 1 1 95 95 ASN CB C 13 39.726 0.036 . . . . . . A 95 ASN CB . 34139 1 1098 . 1 1 95 95 ASN N N 15 124.398 0.014 . . . . . . A 95 ASN N . 34139 1 1099 . 1 1 95 95 ASN ND2 N 15 114.655 0.034 . . . . . . A 95 ASN ND2 . 34139 1 1100 . 1 1 96 96 GLN H H 1 8.831 0.002 . . . . . . A 96 GLN H . 34139 1 1101 . 1 1 96 96 GLN HA H 1 4.119 0.005 . . . . . . A 96 GLN HA . 34139 1 1102 . 1 1 96 96 GLN HB2 H 1 1.173 0.000 . . . . . . A 96 GLN HB2 . 34139 1 1103 . 1 1 96 96 GLN HB3 H 1 0.763 0.018 . . . . . . A 96 GLN HB3 . 34139 1 1104 . 1 1 96 96 GLN HG2 H 1 1.934 0.002 . . . . . . A 96 GLN HG2 . 34139 1 1105 . 1 1 96 96 GLN HG3 H 1 1.839 0.000 . . . . . . A 96 GLN HG3 . 34139 1 1106 . 1 1 96 96 GLN HE21 H 1 6.176 0.000 . . . . . . A 96 GLN HE21 . 34139 1 1107 . 1 1 96 96 GLN HE22 H 1 7.138 0.000 . . . . . . A 96 GLN HE22 . 34139 1 1108 . 1 1 96 96 GLN C C 13 174.773 0.003 . . . . . . A 96 GLN C . 34139 1 1109 . 1 1 96 96 GLN CA C 13 55.291 0.036 . . . . . . A 96 GLN CA . 34139 1 1110 . 1 1 96 96 GLN CB C 13 27.175 0.042 . . . . . . A 96 GLN CB . 34139 1 1111 . 1 1 96 96 GLN CG C 13 31.522 0.025 . . . . . . A 96 GLN CG . 34139 1 1112 . 1 1 96 96 GLN N N 15 123.482 0.009 . . . . . . A 96 GLN N . 34139 1 1113 . 1 1 96 96 GLN NE2 N 15 107.517 0.001 . . . . . . A 96 GLN NE2 . 34139 1 1114 . 1 1 97 97 ILE H H 1 8.926 0.003 . . . . . . A 97 ILE H . 34139 1 1115 . 1 1 97 97 ILE HA H 1 4.450 0.003 . . . . . . A 97 ILE HA . 34139 1 1116 . 1 1 97 97 ILE HB H 1 1.776 0.007 . . . . . . A 97 ILE HB . 34139 1 1117 . 1 1 97 97 ILE HG12 H 1 1.448 0.007 . . . . . . A 97 ILE HG12 . 34139 1 1118 . 1 1 97 97 ILE HG13 H 1 0.909 0.003 . . . . . . A 97 ILE HG13 . 34139 1 1119 . 1 1 97 97 ILE HG21 H 1 0.741 0.001 . . . . . . A 97 ILE HG21 . 34139 1 1120 . 1 1 97 97 ILE HG22 H 1 0.741 0.001 . . . . . . A 97 ILE HG22 . 34139 1 1121 . 1 1 97 97 ILE HG23 H 1 0.741 0.001 . . . . . . A 97 ILE HG23 . 34139 1 1122 . 1 1 97 97 ILE HD11 H 1 0.740 0.003 . . . . . . A 97 ILE HD11 . 34139 1 1123 . 1 1 97 97 ILE HD12 H 1 0.740 0.003 . . . . . . A 97 ILE HD12 . 34139 1 1124 . 1 1 97 97 ILE HD13 H 1 0.740 0.003 . . . . . . A 97 ILE HD13 . 34139 1 1125 . 1 1 97 97 ILE C C 13 174.402 0.000 . . . . . . A 97 ILE C . 34139 1 1126 . 1 1 97 97 ILE CA C 13 58.267 0.044 . . . . . . A 97 ILE CA . 34139 1 1127 . 1 1 97 97 ILE CB C 13 39.501 0.013 . . . . . . A 97 ILE CB . 34139 1 1128 . 1 1 97 97 ILE CG1 C 13 26.245 0.033 . . . . . . A 97 ILE CG1 . 34139 1 1129 . 1 1 97 97 ILE CG2 C 13 17.464 0.033 . . . . . . A 97 ILE CG2 . 34139 1 1130 . 1 1 97 97 ILE CD1 C 13 13.044 0.021 . . . . . . A 97 ILE CD1 . 34139 1 1131 . 1 1 97 97 ILE N N 15 122.554 0.023 . . . . . . A 97 ILE N . 34139 1 1132 . 1 1 98 98 PRO HA H 1 4.458 0.006 . . . . . . A 98 PRO HA . 34139 1 1133 . 1 1 98 98 PRO HB2 H 1 2.027 0.007 . . . . . . A 98 PRO HB2 . 34139 1 1134 . 1 1 98 98 PRO HB3 H 1 1.924 0.018 . . . . . . A 98 PRO HB3 . 34139 1 1135 . 1 1 98 98 PRO HG2 H 1 1.883 0.000 . . . . . . A 98 PRO HG2 . 34139 1 1136 . 1 1 98 98 PRO HG3 H 1 1.669 0.001 . . . . . . A 98 PRO HG3 . 34139 1 1137 . 1 1 98 98 PRO HD2 H 1 3.690 0.005 . . . . . . A 98 PRO HD2 . 34139 1 1138 . 1 1 98 98 PRO HD3 H 1 3.581 0.000 . . . . . . A 98 PRO HD3 . 34139 1 1139 . 1 1 98 98 PRO C C 13 177.190 0.000 . . . . . . A 98 PRO C . 34139 1 1140 . 1 1 98 98 PRO CA C 13 62.519 0.011 . . . . . . A 98 PRO CA . 34139 1 1141 . 1 1 98 98 PRO CB C 13 32.419 0.058 . . . . . . A 98 PRO CB . 34139 1 1142 . 1 1 98 98 PRO CG C 13 27.446 0.000 . . . . . . A 98 PRO CG . 34139 1 1143 . 1 1 98 98 PRO CD C 13 51.660 0.175 . . . . . . A 98 PRO CD . 34139 1 1144 . 1 1 99 99 GLY H H 1 8.506 0.002 . . . . . . A 99 GLY H . 34139 1 1145 . 1 1 99 99 GLY HA2 H 1 4.247 0.010 . . . . . . A 99 GLY HA2 . 34139 1 1146 . 1 1 99 99 GLY HA3 H 1 3.736 0.004 . . . . . . A 99 GLY HA3 . 34139 1 1147 . 1 1 99 99 GLY C C 13 173.929 0.000 . . . . . . A 99 GLY C . 34139 1 1148 . 1 1 99 99 GLY CA C 13 43.022 0.043 . . . . . . A 99 GLY CA . 34139 1 1149 . 1 1 99 99 GLY N N 15 110.804 0.012 . . . . . . A 99 GLY N . 34139 1 1150 . 1 1 100 100 VAL H H 1 8.481 0.004 . . . . . . A 100 VAL H . 34139 1 1151 . 1 1 100 100 VAL HA H 1 3.907 0.005 . . . . . . A 100 VAL HA . 34139 1 1152 . 1 1 100 100 VAL HB H 1 2.087 0.003 . . . . . . A 100 VAL HB . 34139 1 1153 . 1 1 100 100 VAL HG11 H 1 1.117 0.003 . . . . . . A 100 VAL HG11 . 34139 1 1154 . 1 1 100 100 VAL HG12 H 1 1.117 0.003 . . . . . . A 100 VAL HG12 . 34139 1 1155 . 1 1 100 100 VAL HG13 H 1 1.117 0.003 . . . . . . A 100 VAL HG13 . 34139 1 1156 . 1 1 100 100 VAL HG21 H 1 1.117 0.003 . . . . . . A 100 VAL HG21 . 34139 1 1157 . 1 1 100 100 VAL HG22 H 1 1.117 0.003 . . . . . . A 100 VAL HG22 . 34139 1 1158 . 1 1 100 100 VAL HG23 H 1 1.117 0.003 . . . . . . A 100 VAL HG23 . 34139 1 1159 . 1 1 100 100 VAL C C 13 176.120 0.000 . . . . . . A 100 VAL C . 34139 1 1160 . 1 1 100 100 VAL CA C 13 63.684 0.061 . . . . . . A 100 VAL CA . 34139 1 1161 . 1 1 100 100 VAL CB C 13 31.965 0.046 . . . . . . A 100 VAL CB . 34139 1 1162 . 1 1 100 100 VAL CG1 C 13 21.116 0.002 . . . . . . A 100 VAL CG1 . 34139 1 1163 . 1 1 100 100 VAL CG2 C 13 21.116 0.002 . . . . . . A 100 VAL CG2 . 34139 1 1164 . 1 1 100 100 VAL N N 15 121.851 0.012 . . . . . . A 100 VAL N . 34139 1 1165 . 1 1 101 101 ALA H H 1 8.811 0.003 . . . . . . A 101 ALA H . 34139 1 1166 . 1 1 101 101 ALA HA H 1 4.469 0.009 . . . . . . A 101 ALA HA . 34139 1 1167 . 1 1 101 101 ALA HB1 H 1 1.724 0.004 . . . . . . A 101 ALA HB1 . 34139 1 1168 . 1 1 101 101 ALA HB2 H 1 1.724 0.004 . . . . . . A 101 ALA HB2 . 34139 1 1169 . 1 1 101 101 ALA HB3 H 1 1.724 0.004 . . . . . . A 101 ALA HB3 . 34139 1 1170 . 1 1 101 101 ALA C C 13 179.438 0.001 . . . . . . A 101 ALA C . 34139 1 1171 . 1 1 101 101 ALA CA C 13 52.658 0.046 . . . . . . A 101 ALA CA . 34139 1 1172 . 1 1 101 101 ALA CB C 13 20.490 0.031 . . . . . . A 101 ALA CB . 34139 1 1173 . 1 1 101 101 ALA N N 15 127.733 0.009 . . . . . . A 101 ALA N . 34139 1 1174 . 1 1 102 102 TRP H H 1 8.533 0.002 . . . . . . A 102 TRP H . 34139 1 1175 . 1 1 102 102 TRP HA H 1 5.113 0.007 . . . . . . A 102 TRP HA . 34139 1 1176 . 1 1 102 102 TRP HB2 H 1 3.727 0.005 . . . . . . A 102 TRP HB2 . 34139 1 1177 . 1 1 102 102 TRP HB3 H 1 3.248 0.009 . . . . . . A 102 TRP HB3 . 34139 1 1178 . 1 1 102 102 TRP HD1 H 1 7.112 0.003 . . . . . . A 102 TRP HD1 . 34139 1 1179 . 1 1 102 102 TRP HE1 H 1 9.963 0.003 . . . . . . A 102 TRP HE1 . 34139 1 1180 . 1 1 102 102 TRP HE3 H 1 7.573 0.002 . . . . . . A 102 TRP HE3 . 34139 1 1181 . 1 1 102 102 TRP HZ2 H 1 7.439 0.003 . . . . . . A 102 TRP HZ2 . 34139 1 1182 . 1 1 102 102 TRP HZ3 H 1 6.775 0.003 . . . . . . A 102 TRP HZ3 . 34139 1 1183 . 1 1 102 102 TRP HH2 H 1 7.225 0.003 . . . . . . A 102 TRP HH2 . 34139 1 1184 . 1 1 102 102 TRP C C 13 174.745 0.003 . . . . . . A 102 TRP C . 34139 1 1185 . 1 1 102 102 TRP CA C 13 55.591 0.037 . . . . . . A 102 TRP CA . 34139 1 1186 . 1 1 102 102 TRP CB C 13 28.084 0.052 . . . . . . A 102 TRP CB . 34139 1 1187 . 1 1 102 102 TRP CD1 C 13 125.600 0.147 . . . . . . A 102 TRP CD1 . 34139 1 1188 . 1 1 102 102 TRP CE3 C 13 121.173 0.080 . . . . . . A 102 TRP CE3 . 34139 1 1189 . 1 1 102 102 TRP CZ2 C 13 113.847 0.120 . . . . . . A 102 TRP CZ2 . 34139 1 1190 . 1 1 102 102 TRP CZ3 C 13 121.257 0.084 . . . . . . A 102 TRP CZ3 . 34139 1 1191 . 1 1 102 102 TRP CH2 C 13 124.128 0.047 . . . . . . A 102 TRP CH2 . 34139 1 1192 . 1 1 102 102 TRP N N 15 121.890 0.013 . . . . . . A 102 TRP N . 34139 1 1193 . 1 1 102 102 TRP NE1 N 15 128.181 0.010 . . . . . . A 102 TRP NE1 . 34139 1 1194 . 1 1 103 103 GLY H H 1 7.263 0.005 . . . . . . A 103 GLY H . 34139 1 1195 . 1 1 103 103 GLY HA2 H 1 3.966 0.027 . . . . . . A 103 GLY HA2 . 34139 1 1196 . 1 1 103 103 GLY HA3 H 1 3.966 0.027 . . . . . . A 103 GLY HA3 . 34139 1 1197 . 1 1 103 103 GLY C C 13 171.688 0.000 . . . . . . A 103 GLY C . 34139 1 1198 . 1 1 103 103 GLY CA C 13 45.709 0.011 . . . . . . A 103 GLY CA . 34139 1 1199 . 1 1 103 103 GLY N N 15 103.951 0.024 . . . . . . A 103 GLY N . 34139 1 1200 . 1 1 104 104 VAL H H 1 8.259 0.005 . . . . . . A 104 VAL H . 34139 1 1201 . 1 1 104 104 VAL HA H 1 4.334 0.005 . . . . . . A 104 VAL HA . 34139 1 1202 . 1 1 104 104 VAL HB H 1 1.838 0.001 . . . . . . A 104 VAL HB . 34139 1 1203 . 1 1 104 104 VAL HG11 H 1 0.860 0.003 . . . . . . A 104 VAL HG11 . 34139 1 1204 . 1 1 104 104 VAL HG12 H 1 0.860 0.003 . . . . . . A 104 VAL HG12 . 34139 1 1205 . 1 1 104 104 VAL HG13 H 1 0.860 0.003 . . . . . . A 104 VAL HG13 . 34139 1 1206 . 1 1 104 104 VAL HG21 H 1 0.809 0.004 . . . . . . A 104 VAL HG21 . 34139 1 1207 . 1 1 104 104 VAL HG22 H 1 0.809 0.004 . . . . . . A 104 VAL HG22 . 34139 1 1208 . 1 1 104 104 VAL HG23 H 1 0.809 0.004 . . . . . . A 104 VAL HG23 . 34139 1 1209 . 1 1 104 104 VAL C C 13 173.267 0.002 . . . . . . A 104 VAL C . 34139 1 1210 . 1 1 104 104 VAL CA C 13 60.709 0.035 . . . . . . A 104 VAL CA . 34139 1 1211 . 1 1 104 104 VAL CB C 13 35.432 0.041 . . . . . . A 104 VAL CB . 34139 1 1212 . 1 1 104 104 VAL CG1 C 13 21.127 0.027 . . . . . . A 104 VAL CG1 . 34139 1 1213 . 1 1 104 104 VAL CG2 C 13 20.821 0.042 . . . . . . A 104 VAL CG2 . 34139 1 1214 . 1 1 104 104 VAL N N 15 119.068 0.012 . . . . . . A 104 VAL N . 34139 1 1215 . 1 1 105 105 PHE H H 1 8.438 0.003 . . . . . . A 105 PHE H . 34139 1 1216 . 1 1 105 105 PHE HA H 1 5.538 0.004 . . . . . . A 105 PHE HA . 34139 1 1217 . 1 1 105 105 PHE HB2 H 1 3.409 0.005 . . . . . . A 105 PHE HB2 . 34139 1 1218 . 1 1 105 105 PHE HB3 H 1 2.936 0.012 . . . . . . A 105 PHE HB3 . 34139 1 1219 . 1 1 105 105 PHE HD1 H 1 7.672 0.003 . . . . . . A 105 PHE HD1 . 34139 1 1220 . 1 1 105 105 PHE HE1 H 1 7.071 0.002 . . . . . . A 105 PHE HE1 . 34139 1 1221 . 1 1 105 105 PHE HZ H 1 6.838 0.005 . . . . . . A 105 PHE HZ . 34139 1 1222 . 1 1 105 105 PHE C C 13 175.760 0.002 . . . . . . A 105 PHE C . 34139 1 1223 . 1 1 105 105 PHE CA C 13 57.159 0.032 . . . . . . A 105 PHE CA . 34139 1 1224 . 1 1 105 105 PHE CB C 13 40.629 0.017 . . . . . . A 105 PHE CB . 34139 1 1225 . 1 1 105 105 PHE CD1 C 13 133.332 0.094 . . . . . . A 105 PHE CD1 . 34139 1 1226 . 1 1 105 105 PHE CE1 C 13 130.498 0.044 . . . . . . A 105 PHE CE1 . 34139 1 1227 . 1 1 105 105 PHE CZ C 13 128.289 0.097 . . . . . . A 105 PHE CZ . 34139 1 1228 . 1 1 105 105 PHE N N 15 122.568 0.016 . . . . . . A 105 PHE N . 34139 1 1229 . 1 1 106 106 LYS H H 1 9.357 0.004 . . . . . . A 106 LYS H . 34139 1 1230 . 1 1 106 106 LYS HA H 1 4.443 0.004 . . . . . . A 106 LYS HA . 34139 1 1231 . 1 1 106 106 LYS HB2 H 1 1.793 0.003 . . . . . . A 106 LYS HB2 . 34139 1 1232 . 1 1 106 106 LYS HB3 H 1 1.664 0.003 . . . . . . A 106 LYS HB3 . 34139 1 1233 . 1 1 106 106 LYS HG2 H 1 1.236 0.001 . . . . . . A 106 LYS HG2 . 34139 1 1234 . 1 1 106 106 LYS HG3 H 1 1.236 0.001 . . . . . . A 106 LYS HG3 . 34139 1 1235 . 1 1 106 106 LYS HD2 H 1 1.575 0.001 . . . . . . A 106 LYS HD2 . 34139 1 1236 . 1 1 106 106 LYS HD3 H 1 1.575 0.001 . . . . . . A 106 LYS HD3 . 34139 1 1237 . 1 1 106 106 LYS HE2 H 1 2.841 0.002 . . . . . . A 106 LYS HE2 . 34139 1 1238 . 1 1 106 106 LYS HE3 H 1 2.841 0.002 . . . . . . A 106 LYS HE3 . 34139 1 1239 . 1 1 106 106 LYS C C 13 180.521 0.000 . . . . . . A 106 LYS C . 34139 1 1240 . 1 1 106 106 LYS CA C 13 57.151 0.010 . . . . . . A 106 LYS CA . 34139 1 1241 . 1 1 106 106 LYS CB C 13 34.883 0.052 . . . . . . A 106 LYS CB . 34139 1 1242 . 1 1 106 106 LYS CG C 13 24.495 0.027 . . . . . . A 106 LYS CG . 34139 1 1243 . 1 1 106 106 LYS CD C 13 29.376 0.080 . . . . . . A 106 LYS CD . 34139 1 1244 . 1 1 106 106 LYS CE C 13 41.960 0.021 . . . . . . A 106 LYS CE . 34139 1 1245 . 1 1 106 106 LYS N N 15 128.841 0.023 . . . . . . A 106 LYS N . 34139 1 stop_ save_