data_50015 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50015 _Entry.Title ; Assignment of Titin domain I83 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-09-12 _Entry.Accession_date 2019-09-12 _Entry.Last_release_date 2019-09-12 _Entry.Original_release_date 2019-09-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.31 _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 assignment _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Mark Pfuhl . . . 0000-0001-9592-6639 50015 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . "King's College London" . 50015 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50015 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 452 50015 '15N chemical shifts' 107 50015 '1H chemical shifts' 711 50015 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 . . 2021-07-14 2019-09-12 update BMRB 'update entry citation' 50015 1 . . 2021-04-11 2019-09-12 original author 'original release' 50015 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID GB NM_001267550_2 'full length titin' 50015 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50015 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33811919 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution NMR structure of titin N2A region Ig domain I83 and its interaction with metal ions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 433 _Citation.Journal_issue 13 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 166977 _Citation.Page_last 166977 _Citation.Year 2021 _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 Colleen Kelly . . . . 50015 1 2 Nicola Pace . . . . 50015 1 3 Matthew Gage . . . . 50015 1 4 Mark Pfuhl . . . . 50015 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50015 _Assembly.ID 1 _Assembly.Name I83 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11900 _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 I83 1 $entity_1 . . yes native no no . . . 50015 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50015 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Titin _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 ; GIDPFTAEPIQFTKRIQNIV VSEHQSATFECEVSFDDAIV TWYKGPTELTESQKYNFRND GRCHYMTIHNVTPDDEGVYS VIARLEPRGEARSTAELKGE LRSGC* ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'residue #1 is a cloning artifact, stemming from the TEV site' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment I83 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11900 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB NM_001267550_2 . titin . . . . . . . . . . . . . . 50015 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'sarcomeric scaffolding, regulation of muscle size homeostasis' 50015 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 50015 1 2 . ILE . 50015 1 3 . ASP . 50015 1 4 . PRO . 50015 1 5 . PHE . 50015 1 6 . THR . 50015 1 7 . ALA . 50015 1 8 . GLU . 50015 1 9 . PRO . 50015 1 10 . ILE . 50015 1 11 . GLN . 50015 1 12 . PHE . 50015 1 13 . THR . 50015 1 14 . LYS . 50015 1 15 . ARG . 50015 1 16 . ILE . 50015 1 17 . GLN . 50015 1 18 . ASN . 50015 1 19 . ILE . 50015 1 20 . VAL . 50015 1 21 . VAL . 50015 1 22 . SER . 50015 1 23 . GLU . 50015 1 24 . HIS . 50015 1 25 . GLN . 50015 1 26 . SER . 50015 1 27 . ALA . 50015 1 28 . THR . 50015 1 29 . PHE . 50015 1 30 . GLU . 50015 1 31 . CYS . 50015 1 32 . GLU . 50015 1 33 . VAL . 50015 1 34 . SER . 50015 1 35 . PHE . 50015 1 36 . ASP . 50015 1 37 . ASP . 50015 1 38 . ALA . 50015 1 39 . ILE . 50015 1 40 . VAL . 50015 1 41 . THR . 50015 1 42 . TRP . 50015 1 43 . TYR . 50015 1 44 . LYS . 50015 1 45 . GLY . 50015 1 46 . PRO . 50015 1 47 . THR . 50015 1 48 . GLU . 50015 1 49 . LEU . 50015 1 50 . THR . 50015 1 51 . GLU . 50015 1 52 . SER . 50015 1 53 . GLN . 50015 1 54 . LYS . 50015 1 55 . TYR . 50015 1 56 . ASN . 50015 1 57 . PHE . 50015 1 58 . ARG . 50015 1 59 . ASN . 50015 1 60 . ASP . 50015 1 61 . GLY . 50015 1 62 . ARG . 50015 1 63 . CYS . 50015 1 64 . HIS . 50015 1 65 . TYR . 50015 1 66 . MET . 50015 1 67 . THR . 50015 1 68 . ILE . 50015 1 69 . HIS . 50015 1 70 . ASN . 50015 1 71 . VAL . 50015 1 72 . THR . 50015 1 73 . PRO . 50015 1 74 . ASP . 50015 1 75 . ASP . 50015 1 76 . GLU . 50015 1 77 . GLY . 50015 1 78 . VAL . 50015 1 79 . TYR . 50015 1 80 . SER . 50015 1 81 . VAL . 50015 1 82 . ILE . 50015 1 83 . ALA . 50015 1 84 . ARG . 50015 1 85 . LEU . 50015 1 86 . GLU . 50015 1 87 . PRO . 50015 1 88 . ARG . 50015 1 89 . GLY . 50015 1 90 . GLU . 50015 1 91 . ALA . 50015 1 92 . ARG . 50015 1 93 . SER . 50015 1 94 . THR . 50015 1 95 . ALA . 50015 1 96 . GLU . 50015 1 97 . LEU . 50015 1 98 . LYS . 50015 1 99 . GLY . 50015 1 100 . GLU . 50015 1 101 . LEU . 50015 1 102 . ARG . 50015 1 103 . SER . 50015 1 104 . GLY . 50015 1 105 . CYS . 50015 1 106 . X . 50015 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50015 1 . ILE 2 2 50015 1 . ASP 3 3 50015 1 . PRO 4 4 50015 1 . PHE 5 5 50015 1 . THR 6 6 50015 1 . ALA 7 7 50015 1 . GLU 8 8 50015 1 . PRO 9 9 50015 1 . ILE 10 10 50015 1 . GLN 11 11 50015 1 . PHE 12 12 50015 1 . THR 13 13 50015 1 . LYS 14 14 50015 1 . ARG 15 15 50015 1 . ILE 16 16 50015 1 . GLN 17 17 50015 1 . ASN 18 18 50015 1 . ILE 19 19 50015 1 . VAL 20 20 50015 1 . VAL 21 21 50015 1 . SER 22 22 50015 1 . GLU 23 23 50015 1 . HIS 24 24 50015 1 . GLN 25 25 50015 1 . SER 26 26 50015 1 . ALA 27 27 50015 1 . THR 28 28 50015 1 . PHE 29 29 50015 1 . GLU 30 30 50015 1 . CYS 31 31 50015 1 . GLU 32 32 50015 1 . VAL 33 33 50015 1 . SER 34 34 50015 1 . PHE 35 35 50015 1 . ASP 36 36 50015 1 . ASP 37 37 50015 1 . ALA 38 38 50015 1 . ILE 39 39 50015 1 . VAL 40 40 50015 1 . THR 41 41 50015 1 . TRP 42 42 50015 1 . TYR 43 43 50015 1 . LYS 44 44 50015 1 . GLY 45 45 50015 1 . PRO 46 46 50015 1 . THR 47 47 50015 1 . GLU 48 48 50015 1 . LEU 49 49 50015 1 . THR 50 50 50015 1 . GLU 51 51 50015 1 . SER 52 52 50015 1 . GLN 53 53 50015 1 . LYS 54 54 50015 1 . TYR 55 55 50015 1 . ASN 56 56 50015 1 . PHE 57 57 50015 1 . ARG 58 58 50015 1 . ASN 59 59 50015 1 . ASP 60 60 50015 1 . GLY 61 61 50015 1 . ARG 62 62 50015 1 . CYS 63 63 50015 1 . HIS 64 64 50015 1 . TYR 65 65 50015 1 . MET 66 66 50015 1 . THR 67 67 50015 1 . ILE 68 68 50015 1 . HIS 69 69 50015 1 . ASN 70 70 50015 1 . VAL 71 71 50015 1 . THR 72 72 50015 1 . PRO 73 73 50015 1 . ASP 74 74 50015 1 . ASP 75 75 50015 1 . GLU 76 76 50015 1 . GLY 77 77 50015 1 . VAL 78 78 50015 1 . TYR 79 79 50015 1 . SER 80 80 50015 1 . VAL 81 81 50015 1 . ILE 82 82 50015 1 . ALA 83 83 50015 1 . ARG 84 84 50015 1 . LEU 85 85 50015 1 . GLU 86 86 50015 1 . PRO 87 87 50015 1 . ARG 88 88 50015 1 . GLY 89 89 50015 1 . GLU 90 90 50015 1 . ALA 91 91 50015 1 . ARG 92 92 50015 1 . SER 93 93 50015 1 . THR 94 94 50015 1 . ALA 95 95 50015 1 . GLU 96 96 50015 1 . LEU 97 97 50015 1 . LYS 98 98 50015 1 . GLY 99 99 50015 1 . GLU 100 100 50015 1 . LEU 101 101 50015 1 . ARG 102 102 50015 1 . SER 103 103 50015 1 . GLY 104 104 50015 1 . CYS 105 105 50015 1 . X 106 106 50015 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50015 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50015 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50015 _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' . . . . . BL21 'BL21 STAR' . plasmid . . pET151/D-TOPO . . . 50015 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50015 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 I83 '[U-98% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 50015 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50015 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 I83 '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 50015 2 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 50015 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 0.005 M 50015 1 pH 7.20 0.05 pH 50015 1 pressure 1 . atm 50015 1 temperature 298 0.2 K 50015 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50015 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50015 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50015 1 processing . 50015 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50015 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 50015 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50015 2 'peak picking' . 50015 2 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 50015 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50015 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 50015 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50015 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50015 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50015 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50015 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50015 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50015 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50015 1 7 '3D H(CCO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50015 1 8 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50015 1 9 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50015 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50015 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50015 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50015 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 50015 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50015 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50015 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50015 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 50015 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.002 _Assigned_chem_shift_list.Chem_shift_13C_err 0.03 _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _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 'repeat experiments' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50015 1 2 '2D 1H-13C HSQC aliphatic' . . . 50015 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.827 0.000 . 1 . . . . . 1 Gly HA2 . 50015 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.827 0.000 . 1 . . . . . 1 Gly HA3 . 50015 1 3 . 1 . 1 1 1 GLY CA C 13 43.268 0.000 . 1 . . . . . 1 Gly CA . 50015 1 4 . 1 . 1 2 2 ILE HA H 1 4.216 0.009 . 1 . . . . . 2 Ile HA . 50015 1 5 . 1 . 1 2 2 ILE HB H 1 1.809 0.002 . 1 . . . . . 2 Ile HB . 50015 1 6 . 1 . 1 2 2 ILE HG12 H 1 1.625 0.003 . 1 . . . . . 2 Ile HG12 . 50015 1 7 . 1 . 1 2 2 ILE HG13 H 1 1.239 0.002 . 1 . . . . . 2 Ile HG13 . 50015 1 8 . 1 . 1 2 2 ILE HG21 H 1 0.859 0.004 . 1 . . . . . 2 Ile HG21 . 50015 1 9 . 1 . 1 2 2 ILE HG22 H 1 0.859 0.004 . 1 . . . . . 2 Ile HG22 . 50015 1 10 . 1 . 1 2 2 ILE HG23 H 1 0.859 0.004 . 1 . . . . . 2 Ile HG23 . 50015 1 11 . 1 . 1 2 2 ILE HD11 H 1 0.881 0.002 . 1 . . . . . 2 Ile HD11 . 50015 1 12 . 1 . 1 2 2 ILE HD12 H 1 0.881 0.002 . 1 . . . . . 2 Ile HD12 . 50015 1 13 . 1 . 1 2 2 ILE HD13 H 1 0.881 0.002 . 1 . . . . . 2 Ile HD13 . 50015 1 14 . 1 . 1 2 2 ILE C C 13 176.016 0.000 . 1 . . . . . 2 Ile C . 50015 1 15 . 1 . 1 2 2 ILE CA C 13 60.702 0.006 . 1 . . . . . 2 Ile CA . 50015 1 16 . 1 . 1 2 2 ILE CB C 13 38.699 0.042 . 1 . . . . . 2 Ile CB . 50015 1 17 . 1 . 1 2 2 ILE CG1 C 13 27.090 0.067 . 1 . . . . . 2 Ile CG1 . 50015 1 18 . 1 . 1 2 2 ILE CG2 C 13 17.257 0.048 . 1 . . . . . 2 Ile CG2 . 50015 1 19 . 1 . 1 2 2 ILE CD1 C 13 12.524 0.023 . 1 . . . . . 2 Ile CD1 . 50015 1 20 . 1 . 1 3 3 ASP H H 1 8.459 0.002 . 1 . . . . . 3 Asp H . 50015 1 21 . 1 . 1 3 3 ASP HA H 1 4.881 0.007 . 1 . . . . . 3 Asp HA . 50015 1 22 . 1 . 1 3 3 ASP HB2 H 1 2.565 0.003 . 1 . . . . . 3 Asp HB2 . 50015 1 23 . 1 . 1 3 3 ASP HB3 H 1 2.756 0.003 . 1 . . . . . 3 Asp HB3 . 50015 1 24 . 1 . 1 3 3 ASP CA C 13 51.796 0.000 . 1 . . . . . 3 Asp CA . 50015 1 25 . 1 . 1 3 3 ASP CB C 13 41.031 0.045 . 1 . . . . . 3 Asp CB . 50015 1 26 . 1 . 1 3 3 ASP N N 15 126.407 0.025 . 1 . . . . . 3 Asp N . 50015 1 27 . 1 . 1 4 4 PRO HA H 1 4.323 0.004 . 1 . . . . . 4 Pro HA . 50015 1 28 . 1 . 1 4 4 PRO HB2 H 1 1.650 0.006 . 1 . . . . . 4 Pro HB2 . 50015 1 29 . 1 . 1 4 4 PRO HB3 H 1 2.170 0.004 . 1 . . . . . 4 Pro HB3 . 50015 1 30 . 1 . 1 4 4 PRO HG2 H 1 1.760 0.002 . 1 . . . . . 4 Pro HG2 . 50015 1 31 . 1 . 1 4 4 PRO HG3 H 1 1.914 0.004 . 1 . . . . . 4 Pro HG3 . 50015 1 32 . 1 . 1 4 4 PRO HD2 H 1 3.756 0.006 . 1 . . . . . 4 Pro HD2 . 50015 1 33 . 1 . 1 4 4 PRO HD3 H 1 3.882 0.003 . 1 . . . . . 4 Pro HD3 . 50015 1 34 . 1 . 1 4 4 PRO C C 13 177.281 0.000 . 1 . . . . . 4 Pro C . 50015 1 35 . 1 . 1 4 4 PRO CA C 13 63.311 0.013 . 1 . . . . . 4 Pro CA . 50015 1 36 . 1 . 1 4 4 PRO CB C 13 31.744 0.048 . 1 . . . . . 4 Pro CB . 50015 1 37 . 1 . 1 4 4 PRO CG C 13 26.759 0.067 . 1 . . . . . 4 Pro CG . 50015 1 38 . 1 . 1 4 4 PRO CD C 13 50.579 0.034 . 1 . . . . . 4 Pro CD . 50015 1 39 . 1 . 1 5 5 PHE H H 1 8.262 0.002 . 1 . . . . . 5 Phe H . 50015 1 40 . 1 . 1 5 5 PHE HA H 1 4.615 0.007 . 1 . . . . . 5 Phe HA . 50015 1 41 . 1 . 1 5 5 PHE HB2 H 1 3.191 0.007 . 1 . . . . . 5 Phe HB2 . 50015 1 42 . 1 . 1 5 5 PHE HB3 H 1 3.112 0.003 . 1 . . . . . 5 Phe HB3 . 50015 1 43 . 1 . 1 5 5 PHE HD1 H 1 7.305 0.005 . 1 . . . . . 5 Phe HD1 . 50015 1 44 . 1 . 1 5 5 PHE HD2 H 1 7.305 0.005 . 1 . . . . . 5 Phe HD2 . 50015 1 45 . 1 . 1 5 5 PHE HE1 H 1 7.369 0.001 . 1 . . . . . 5 Phe HE1 . 50015 1 46 . 1 . 1 5 5 PHE HE2 H 1 7.369 0.001 . 1 . . . . . 5 Phe HE2 . 50015 1 47 . 1 . 1 5 5 PHE C C 13 176.499 0.000 . 1 . . . . . 5 Phe C . 50015 1 48 . 1 . 1 5 5 PHE CA C 13 57.915 0.016 . 1 . . . . . 5 Phe CA . 50015 1 49 . 1 . 1 5 5 PHE CB C 13 38.767 0.051 . 1 . . . . . 5 Phe CB . 50015 1 50 . 1 . 1 5 5 PHE CD1 C 13 132.589 0.056 . 1 . . . . . 5 Phe CD1 . 50015 1 51 . 1 . 1 5 5 PHE CD2 C 13 132.589 0.056 . 1 . . . . . 5 Phe CD2 . 50015 1 52 . 1 . 1 5 5 PHE CE1 C 13 132.483 0.045 . 1 . . . . . 5 Phe CE1 . 50015 1 53 . 1 . 1 5 5 PHE CE2 C 13 132.483 0.045 . 1 . . . . . 5 Phe CE2 . 50015 1 54 . 1 . 1 5 5 PHE N N 15 118.776 0.029 . 1 . . . . . 5 Phe N . 50015 1 55 . 1 . 1 6 6 THR H H 1 7.787 0.002 . 1 . . . . . 6 Thr H . 50015 1 56 . 1 . 1 6 6 THR HA H 1 4.786 0.004 . 1 . . . . . 6 Thr HA . 50015 1 57 . 1 . 1 6 6 THR HB H 1 4.182 0.004 . 1 . . . . . 6 Thr HB . 50015 1 58 . 1 . 1 6 6 THR HG21 H 1 1.186 0.007 . 1 . . . . . 6 Thr HG21 . 50015 1 59 . 1 . 1 6 6 THR HG22 H 1 1.186 0.007 . 1 . . . . . 6 Thr HG22 . 50015 1 60 . 1 . 1 6 6 THR HG23 H 1 1.186 0.007 . 1 . . . . . 6 Thr HG23 . 50015 1 61 . 1 . 1 6 6 THR C C 13 173.975 0.000 . 1 . . . . . 6 Thr C . 50015 1 62 . 1 . 1 6 6 THR CA C 13 61.578 0.004 . 1 . . . . . 6 Thr CA . 50015 1 63 . 1 . 1 6 6 THR CB C 13 69.550 0.037 . 1 . . . . . 6 Thr CB . 50015 1 64 . 1 . 1 6 6 THR CG2 C 13 21.470 0.026 . 1 . . . . . 6 Thr CG2 . 50015 1 65 . 1 . 1 6 6 THR N N 15 114.797 0.025 . 1 . . . . . 6 Thr N . 50015 1 66 . 1 . 1 7 7 ALA H H 1 8.042 0.004 . 1 . . . . . 7 Ala H . 50015 1 67 . 1 . 1 7 7 ALA HA H 1 4.281 0.007 . 1 . . . . . 7 Ala HA . 50015 1 68 . 1 . 1 7 7 ALA HB1 H 1 1.297 0.003 . 1 . . . . . 7 Ala HB1 . 50015 1 69 . 1 . 1 7 7 ALA HB2 H 1 1.297 0.003 . 1 . . . . . 7 Ala HB2 . 50015 1 70 . 1 . 1 7 7 ALA HB3 H 1 1.297 0.003 . 1 . . . . . 7 Ala HB3 . 50015 1 71 . 1 . 1 7 7 ALA C C 13 177.278 0.000 . 1 . . . . . 7 Ala C . 50015 1 72 . 1 . 1 7 7 ALA CA C 13 51.742 0.041 . 1 . . . . . 7 Ala CA . 50015 1 73 . 1 . 1 7 7 ALA CB C 13 18.981 0.064 . 1 . . . . . 7 Ala CB . 50015 1 74 . 1 . 1 7 7 ALA N N 15 126.220 0.025 . 1 . . . . . 7 Ala N . 50015 1 75 . 1 . 1 8 8 GLU H H 1 8.254 0.002 . 1 . . . . . 8 Glu H . 50015 1 76 . 1 . 1 8 8 GLU HA H 1 4.494 0.004 . 1 . . . . . 8 Glu HA . 50015 1 77 . 1 . 1 8 8 GLU HB2 H 1 1.963 0.004 . 1 . . . . . 8 Glu HB2 . 50015 1 78 . 1 . 1 8 8 GLU HB3 H 1 2.053 0.009 . 1 . . . . . 8 Glu HB3 . 50015 1 79 . 1 . 1 8 8 GLU HG2 H 1 2.368 0.004 . 1 . . . . . 8 Glu HG2 . 50015 1 80 . 1 . 1 8 8 GLU HG3 H 1 2.368 0.005 . 1 . . . . . 8 Glu HG3 . 50015 1 81 . 1 . 1 8 8 GLU CA C 13 54.426 0.017 . 1 . . . . . 8 Glu CA . 50015 1 82 . 1 . 1 8 8 GLU CB C 13 29.652 0.058 . 1 . . . . . 8 Glu CB . 50015 1 83 . 1 . 1 8 8 GLU CG C 13 35.796 0.013 . 1 . . . . . 8 Glu CG . 50015 1 84 . 1 . 1 8 8 GLU N N 15 122.690 0.029 . 1 . . . . . 8 Glu N . 50015 1 85 . 1 . 1 9 9 PRO HA H 1 4.624 0.009 . 1 . . . . . 9 Pro HA . 50015 1 86 . 1 . 1 9 9 PRO HB2 H 1 2.271 0.003 . 1 . . . . . 9 Pro HB2 . 50015 1 87 . 1 . 1 9 9 PRO HB3 H 1 1.940 0.003 . 1 . . . . . 9 Pro HB3 . 50015 1 88 . 1 . 1 9 9 PRO HG2 H 1 2.006 0.002 . 1 . . . . . 9 Pro HG2 . 50015 1 89 . 1 . 1 9 9 PRO HG3 H 1 1.932 0.002 . 1 . . . . . 9 Pro HG3 . 50015 1 90 . 1 . 1 9 9 PRO HD2 H 1 3.805 0.005 . 1 . . . . . 9 Pro HD2 . 50015 1 91 . 1 . 1 9 9 PRO HD3 H 1 3.701 0.004 . 1 . . . . . 9 Pro HD3 . 50015 1 92 . 1 . 1 9 9 PRO C C 13 177.362 0.000 . 1 . . . . . 9 Pro C . 50015 1 93 . 1 . 1 9 9 PRO CA C 13 62.123 0.000 . 1 . . . . . 9 Pro CA . 50015 1 94 . 1 . 1 9 9 PRO CB C 13 32.165 0.069 . 1 . . . . . 9 Pro CB . 50015 1 95 . 1 . 1 9 9 PRO CG C 13 26.834 0.036 . 1 . . . . . 9 Pro CG . 50015 1 96 . 1 . 1 9 9 PRO CD C 13 50.461 0.026 . 1 . . . . . 9 Pro CD . 50015 1 97 . 1 . 1 10 10 ILE H H 1 8.299 0.003 . 1 . . . . . 10 Ile H . 50015 1 98 . 1 . 1 10 10 ILE HA H 1 3.874 0.003 . 1 . . . . . 10 Ile HA . 50015 1 99 . 1 . 1 10 10 ILE HB H 1 1.497 0.004 . 1 . . . . . 10 Ile HB . 50015 1 100 . 1 . 1 10 10 ILE HG12 H 1 1.370 0.006 . 1 . . . . . 10 Ile HG12 . 50015 1 101 . 1 . 1 10 10 ILE HG13 H 1 0.789 0.005 . 1 . . . . . 10 Ile HG13 . 50015 1 102 . 1 . 1 10 10 ILE HG21 H 1 0.560 0.006 . 1 . . . . . 10 Ile HG21 . 50015 1 103 . 1 . 1 10 10 ILE HG22 H 1 0.560 0.006 . 1 . . . . . 10 Ile HG22 . 50015 1 104 . 1 . 1 10 10 ILE HG23 H 1 0.560 0.006 . 1 . . . . . 10 Ile HG23 . 50015 1 105 . 1 . 1 10 10 ILE HD11 H 1 0.644 0.007 . 1 . . . . . 10 Ile HD11 . 50015 1 106 . 1 . 1 10 10 ILE HD12 H 1 0.644 0.007 . 1 . . . . . 10 Ile HD12 . 50015 1 107 . 1 . 1 10 10 ILE HD13 H 1 0.644 0.007 . 1 . . . . . 10 Ile HD13 . 50015 1 108 . 1 . 1 10 10 ILE C C 13 172.546 0.000 . 1 . . . . . 10 Ile C . 50015 1 109 . 1 . 1 10 10 ILE CA C 13 60.848 0.040 . 1 . . . . . 10 Ile CA . 50015 1 110 . 1 . 1 10 10 ILE CB C 13 38.554 0.068 . 1 . . . . . 10 Ile CB . 50015 1 111 . 1 . 1 10 10 ILE CG1 C 13 29.031 0.020 . 1 . . . . . 10 Ile CG1 . 50015 1 112 . 1 . 1 10 10 ILE CG2 C 13 15.809 0.047 . 1 . . . . . 10 Ile CG2 . 50015 1 113 . 1 . 1 10 10 ILE CD1 C 13 15.034 0.016 . 1 . . . . . 10 Ile CD1 . 50015 1 114 . 1 . 1 10 10 ILE N N 15 120.155 0.024 . 1 . . . . . 10 Ile N . 50015 1 115 . 1 . 1 11 11 GLN H H 1 7.701 0.002 . 1 . . . . . 11 Gln H . 50015 1 116 . 1 . 1 11 11 GLN HA H 1 4.581 0.006 . 1 . . . . . 11 Gln HA . 50015 1 117 . 1 . 1 11 11 GLN HB2 H 1 1.718 0.005 . 1 . . . . . 11 Gln HB2 . 50015 1 118 . 1 . 1 11 11 GLN HB3 H 1 2.032 0.006 . 1 . . . . . 11 Gln HB3 . 50015 1 119 . 1 . 1 11 11 GLN HG2 H 1 2.276 0.004 . 1 . . . . . 11 Gln HG2 . 50015 1 120 . 1 . 1 11 11 GLN HG3 H 1 2.123 0.006 . 1 . . . . . 11 Gln HG3 . 50015 1 121 . 1 . 1 11 11 GLN HE21 H 1 6.879 0.001 . 1 . . . . . 11 Gln HE21 . 50015 1 122 . 1 . 1 11 11 GLN HE22 H 1 7.475 0.001 . 1 . . . . . 11 Gln HE22 . 50015 1 123 . 1 . 1 11 11 GLN C C 13 175.387 0.000 . 1 . . . . . 11 Gln C . 50015 1 124 . 1 . 1 11 11 GLN CA C 13 53.352 0.005 . 1 . . . . . 11 Gln CA . 50015 1 125 . 1 . 1 11 11 GLN CB C 13 33.110 0.036 . 1 . . . . . 11 Gln CB . 50015 1 126 . 1 . 1 11 11 GLN CG C 13 32.878 0.051 . 1 . . . . . 11 Gln CG . 50015 1 127 . 1 . 1 11 11 GLN CD C 13 180.823 0.000 . 1 . . . . . 11 Gln CD . 50015 1 128 . 1 . 1 11 11 GLN N N 15 120.961 0.025 . 1 . . . . . 11 Gln N . 50015 1 129 . 1 . 1 11 11 GLN NE2 N 15 111.829 0.019 . 1 . . . . . 11 Gln NE2 . 50015 1 130 . 1 . 1 12 12 PHE H H 1 8.957 0.004 . 1 . . . . . 12 Phe H . 50015 1 131 . 1 . 1 12 12 PHE HA H 1 4.899 0.007 . 1 . . . . . 12 Phe HA . 50015 1 132 . 1 . 1 12 12 PHE HB2 H 1 2.786 0.006 . 1 . . . . . 12 Phe HB2 . 50015 1 133 . 1 . 1 12 12 PHE HB3 H 1 2.785 0.006 . 1 . . . . . 12 Phe HB3 . 50015 1 134 . 1 . 1 12 12 PHE HD1 H 1 7.141 0.007 . 1 . . . . . 12 Phe HD1 . 50015 1 135 . 1 . 1 12 12 PHE HD2 H 1 7.141 0.007 . 1 . . . . . 12 Phe HD2 . 50015 1 136 . 1 . 1 12 12 PHE HE1 H 1 6.925 0.012 . 1 . . . . . 12 Phe HE1 . 50015 1 137 . 1 . 1 12 12 PHE HE2 H 1 6.925 0.012 . 1 . . . . . 12 Phe HE2 . 50015 1 138 . 1 . 1 12 12 PHE HZ H 1 6.801 0.007 . 1 . . . . . 12 Phe HZ . 50015 1 139 . 1 . 1 12 12 PHE C C 13 176.908 0.000 . 1 . . . . . 12 Phe C . 50015 1 140 . 1 . 1 12 12 PHE CA C 13 58.431 0.037 . 1 . . . . . 12 Phe CA . 50015 1 141 . 1 . 1 12 12 PHE CB C 13 38.725 0.064 . 1 . . . . . 12 Phe CB . 50015 1 142 . 1 . 1 12 12 PHE CD1 C 13 132.410 0.272 . 1 . . . . . 12 Phe CD1 . 50015 1 143 . 1 . 1 12 12 PHE CD2 C 13 132.410 0.272 . 1 . . . . . 12 Phe CD2 . 50015 1 144 . 1 . 1 12 12 PHE CE1 C 13 132.333 0.011 . 1 . . . . . 12 Phe CE1 . 50015 1 145 . 1 . 1 12 12 PHE CE2 C 13 132.333 0.011 . 1 . . . . . 12 Phe CE2 . 50015 1 146 . 1 . 1 12 12 PHE N N 15 118.194 0.021 . 1 . . . . . 12 Phe N . 50015 1 147 . 1 . 1 13 13 THR H H 1 8.388 0.003 . 1 . . . . . 13 Thr H . 50015 1 148 . 1 . 1 13 13 THR HA H 1 4.130 0.004 . 1 . . . . . 13 Thr HA . 50015 1 149 . 1 . 1 13 13 THR HB H 1 3.994 0.006 . 1 . . . . . 13 Thr HB . 50015 1 150 . 1 . 1 13 13 THR HG21 H 1 0.974 0.002 . 1 . . . . . 13 Thr HG21 . 50015 1 151 . 1 . 1 13 13 THR HG22 H 1 0.974 0.002 . 1 . . . . . 13 Thr HG22 . 50015 1 152 . 1 . 1 13 13 THR HG23 H 1 0.974 0.002 . 1 . . . . . 13 Thr HG23 . 50015 1 153 . 1 . 1 13 13 THR C C 13 176.300 0.000 . 1 . . . . . 13 Thr C . 50015 1 154 . 1 . 1 13 13 THR CA C 13 63.325 0.040 . 1 . . . . . 13 Thr CA . 50015 1 155 . 1 . 1 13 13 THR CB C 13 67.231 0.047 . 1 . . . . . 13 Thr CB . 50015 1 156 . 1 . 1 13 13 THR CG2 C 13 22.729 0.057 . 1 . . . . . 13 Thr CG2 . 50015 1 157 . 1 . 1 13 13 THR N N 15 119.780 0.032 . 1 . . . . . 13 Thr N . 50015 1 158 . 1 . 1 14 14 LYS H H 1 7.921 0.002 . 1 . . . . . 14 Lys H . 50015 1 159 . 1 . 1 14 14 LYS HA H 1 4.575 0.003 . 1 . . . . . 14 Lys HA . 50015 1 160 . 1 . 1 14 14 LYS HB2 H 1 1.730 0.002 . 1 . . . . . 14 Lys HB2 . 50015 1 161 . 1 . 1 14 14 LYS HB3 H 1 1.811 0.008 . 1 . . . . . 14 Lys HB3 . 50015 1 162 . 1 . 1 14 14 LYS HG2 H 1 1.453 0.006 . 1 . . . . . 14 Lys HG2 . 50015 1 163 . 1 . 1 14 14 LYS HG3 H 1 1.453 0.006 . 1 . . . . . 14 Lys HG3 . 50015 1 164 . 1 . 1 14 14 LYS HD2 H 1 1.675 0.007 . 1 . . . . . 14 Lys HD2 . 50015 1 165 . 1 . 1 14 14 LYS HD3 H 1 1.594 0.001 . 1 . . . . . 14 Lys HD3 . 50015 1 166 . 1 . 1 14 14 LYS HE2 H 1 2.919 0.001 . 1 . . . . . 14 Lys HE2 . 50015 1 167 . 1 . 1 14 14 LYS HE3 H 1 2.919 0.001 . 1 . . . . . 14 Lys HE3 . 50015 1 168 . 1 . 1 14 14 LYS C C 13 176.055 0.000 . 1 . . . . . 14 Lys C . 50015 1 169 . 1 . 1 14 14 LYS CA C 13 56.738 0.006 . 1 . . . . . 14 Lys CA . 50015 1 170 . 1 . 1 14 14 LYS CB C 13 34.858 0.045 . 1 . . . . . 14 Lys CB . 50015 1 171 . 1 . 1 14 14 LYS CG C 13 24.424 0.044 . 1 . . . . . 14 Lys CG . 50015 1 172 . 1 . 1 14 14 LYS CD C 13 29.235 0.041 . 1 . . . . . 14 Lys CD . 50015 1 173 . 1 . 1 14 14 LYS CE C 13 41.736 0.010 . 1 . . . . . 14 Lys CE . 50015 1 174 . 1 . 1 14 14 LYS N N 15 121.617 0.031 . 1 . . . . . 14 Lys N . 50015 1 175 . 1 . 1 15 15 ARG H H 1 8.729 0.001 . 1 . . . . . 15 Arg H . 50015 1 176 . 1 . 1 15 15 ARG HA H 1 4.056 0.002 . 1 . . . . . 15 Arg HA . 50015 1 177 . 1 . 1 15 15 ARG HB2 H 1 1.558 0.006 . 1 . . . . . 15 Arg HB2 . 50015 1 178 . 1 . 1 15 15 ARG HB3 H 1 1.895 0.004 . 1 . . . . . 15 Arg HB3 . 50015 1 179 . 1 . 1 15 15 ARG HG2 H 1 1.695 0.006 . 1 . . . . . 15 Arg HG2 . 50015 1 180 . 1 . 1 15 15 ARG HG3 H 1 1.537 0.008 . 1 . . . . . 15 Arg HG3 . 50015 1 181 . 1 . 1 15 15 ARG HD2 H 1 3.309 0.007 . 1 . . . . . 15 Arg HD2 . 50015 1 182 . 1 . 1 15 15 ARG HD3 H 1 3.309 0.007 . 1 . . . . . 15 Arg HD3 . 50015 1 183 . 1 . 1 15 15 ARG C C 13 177.586 0.000 . 1 . . . . . 15 Arg C . 50015 1 184 . 1 . 1 15 15 ARG CA C 13 55.590 0.033 . 1 . . . . . 15 Arg CA . 50015 1 185 . 1 . 1 15 15 ARG CB C 13 31.233 0.075 . 1 . . . . . 15 Arg CB . 50015 1 186 . 1 . 1 15 15 ARG CG C 13 28.322 0.039 . 1 . . . . . 15 Arg CG . 50015 1 187 . 1 . 1 15 15 ARG CD C 13 43.228 0.032 . 1 . . . . . 15 Arg CD . 50015 1 188 . 1 . 1 15 15 ARG N N 15 126.022 0.026 . 1 . . . . . 15 Arg N . 50015 1 189 . 1 . 1 16 16 ILE H H 1 7.231 0.004 . 1 . . . . . 16 Ile H . 50015 1 190 . 1 . 1 16 16 ILE HA H 1 4.656 0.006 . 1 . . . . . 16 Ile HA . 50015 1 191 . 1 . 1 16 16 ILE HB H 1 1.934 0.007 . 1 . . . . . 16 Ile HB . 50015 1 192 . 1 . 1 16 16 ILE HG12 H 1 1.088 0.013 . 1 . . . . . 16 Ile HG12 . 50015 1 193 . 1 . 1 16 16 ILE HG13 H 1 0.794 0.005 . 1 . . . . . 16 Ile HG13 . 50015 1 194 . 1 . 1 16 16 ILE HG21 H 1 0.975 0.005 . 1 . . . . . 16 Ile HG21 . 50015 1 195 . 1 . 1 16 16 ILE HG22 H 1 0.975 0.005 . 1 . . . . . 16 Ile HG22 . 50015 1 196 . 1 . 1 16 16 ILE HG23 H 1 0.975 0.005 . 1 . . . . . 16 Ile HG23 . 50015 1 197 . 1 . 1 16 16 ILE HD11 H 1 0.379 0.004 . 1 . . . . . 16 Ile HD11 . 50015 1 198 . 1 . 1 16 16 ILE HD12 H 1 0.379 0.004 . 1 . . . . . 16 Ile HD12 . 50015 1 199 . 1 . 1 16 16 ILE HD13 H 1 0.379 0.004 . 1 . . . . . 16 Ile HD13 . 50015 1 200 . 1 . 1 16 16 ILE C C 13 175.341 0.000 . 1 . . . . . 16 Ile C . 50015 1 201 . 1 . 1 16 16 ILE CA C 13 62.199 0.009 . 1 . . . . . 16 Ile CA . 50015 1 202 . 1 . 1 16 16 ILE CB C 13 39.368 0.075 . 1 . . . . . 16 Ile CB . 50015 1 203 . 1 . 1 16 16 ILE CG1 C 13 24.424 0.073 . 1 . . . . . 16 Ile CG1 . 50015 1 204 . 1 . 1 16 16 ILE CG2 C 13 20.091 0.037 . 1 . . . . . 16 Ile CG2 . 50015 1 205 . 1 . 1 16 16 ILE CD1 C 13 13.776 0.023 . 1 . . . . . 16 Ile CD1 . 50015 1 206 . 1 . 1 16 16 ILE N N 15 112.795 0.044 . 1 . . . . . 16 Ile N . 50015 1 207 . 1 . 1 17 17 GLN H H 1 8.532 0.004 . 1 . . . . . 17 Gln H . 50015 1 208 . 1 . 1 17 17 GLN HA H 1 4.737 0.012 . 1 . . . . . 17 Gln HA . 50015 1 209 . 1 . 1 17 17 GLN HB2 H 1 1.964 0.010 . 1 . . . . . 17 Gln HB2 . 50015 1 210 . 1 . 1 17 17 GLN HB3 H 1 2.275 0.004 . 1 . . . . . 17 Gln HB3 . 50015 1 211 . 1 . 1 17 17 GLN HG2 H 1 2.498 0.005 . 1 . . . . . 17 Gln HG2 . 50015 1 212 . 1 . 1 17 17 GLN HG3 H 1 2.499 0.004 . 1 . . . . . 17 Gln HG3 . 50015 1 213 . 1 . 1 17 17 GLN HE21 H 1 7.457 0.001 . 1 . . . . . 17 Gln HE21 . 50015 1 214 . 1 . 1 17 17 GLN HE22 H 1 6.922 0.001 . 1 . . . . . 17 Gln HE22 . 50015 1 215 . 1 . 1 17 17 GLN C C 13 174.459 0.000 . 1 . . . . . 17 Gln C . 50015 1 216 . 1 . 1 17 17 GLN CA C 13 53.238 0.000 . 1 . . . . . 17 Gln CA . 50015 1 217 . 1 . 1 17 17 GLN CB C 13 32.241 0.043 . 1 . . . . . 17 Gln CB . 50015 1 218 . 1 . 1 17 17 GLN CG C 13 33.299 0.045 . 1 . . . . . 17 Gln CG . 50015 1 219 . 1 . 1 17 17 GLN CD C 13 181.408 0.000 . 1 . . . . . 17 Gln CD . 50015 1 220 . 1 . 1 17 17 GLN N N 15 120.743 0.031 . 1 . . . . . 17 Gln N . 50015 1 221 . 1 . 1 17 17 GLN NE2 N 15 113.041 0.008 . 1 . . . . . 17 Gln NE2 . 50015 1 222 . 1 . 1 18 18 ASN H H 1 8.466 0.007 . 1 . . . . . 18 Asn H . 50015 1 223 . 1 . 1 18 18 ASN HA H 1 5.223 0.005 . 1 . . . . . 18 Asn HA . 50015 1 224 . 1 . 1 18 18 ASN HB2 H 1 2.827 0.004 . 1 . . . . . 18 Asn HB2 . 50015 1 225 . 1 . 1 18 18 ASN HB3 H 1 2.997 0.006 . 1 . . . . . 18 Asn HB3 . 50015 1 226 . 1 . 1 18 18 ASN HD21 H 1 7.071 0.007 . 1 . . . . . 18 Asn HD21 . 50015 1 227 . 1 . 1 18 18 ASN HD22 H 1 7.763 0.000 . 1 . . . . . 18 Asn HD22 . 50015 1 228 . 1 . 1 18 18 ASN C C 13 176.292 0.000 . 1 . . . . . 18 Asn C . 50015 1 229 . 1 . 1 18 18 ASN CA C 13 53.338 0.035 . 1 . . . . . 18 Asn CA . 50015 1 230 . 1 . 1 18 18 ASN CB C 13 38.040 0.045 . 1 . . . . . 18 Asn CB . 50015 1 231 . 1 . 1 18 18 ASN N N 15 117.406 0.018 . 1 . . . . . 18 Asn N . 50015 1 232 . 1 . 1 18 18 ASN ND2 N 15 112.370 0.021 . 1 . . . . . 18 Asn ND2 . 50015 1 233 . 1 . 1 19 19 ILE H H 1 8.601 0.004 . 1 . . . . . 19 Ile H . 50015 1 234 . 1 . 1 19 19 ILE HA H 1 4.505 0.005 . 1 . . . . . 19 Ile HA . 50015 1 235 . 1 . 1 19 19 ILE HB H 1 1.392 0.007 . 1 . . . . . 19 Ile HB . 50015 1 236 . 1 . 1 19 19 ILE HG12 H 1 1.298 0.004 . 1 . . . . . 19 Ile HG12 . 50015 1 237 . 1 . 1 19 19 ILE HG13 H 1 0.809 0.008 . 1 . . . . . 19 Ile HG13 . 50015 1 238 . 1 . 1 19 19 ILE HG21 H 1 0.657 0.006 . 1 . . . . . 19 Ile HG21 . 50015 1 239 . 1 . 1 19 19 ILE HG22 H 1 0.657 0.006 . 1 . . . . . 19 Ile HG22 . 50015 1 240 . 1 . 1 19 19 ILE HG23 H 1 0.657 0.006 . 1 . . . . . 19 Ile HG23 . 50015 1 241 . 1 . 1 19 19 ILE HD11 H 1 -0.050 0.004 . 1 . . . . . 19 Ile HD11 . 50015 1 242 . 1 . 1 19 19 ILE HD12 H 1 -0.050 0.004 . 1 . . . . . 19 Ile HD12 . 50015 1 243 . 1 . 1 19 19 ILE HD13 H 1 -0.050 0.004 . 1 . . . . . 19 Ile HD13 . 50015 1 244 . 1 . 1 19 19 ILE C C 13 174.273 0.000 . 1 . . . . . 19 Ile C . 50015 1 245 . 1 . 1 19 19 ILE CA C 13 59.974 0.023 . 1 . . . . . 19 Ile CA . 50015 1 246 . 1 . 1 19 19 ILE CB C 13 42.164 0.065 . 1 . . . . . 19 Ile CB . 50015 1 247 . 1 . 1 19 19 ILE CG1 C 13 26.464 0.013 . 1 . . . . . 19 Ile CG1 . 50015 1 248 . 1 . 1 19 19 ILE CG2 C 13 17.372 0.056 . 1 . . . . . 19 Ile CG2 . 50015 1 249 . 1 . 1 19 19 ILE CD1 C 13 12.837 0.041 . 1 . . . . . 19 Ile CD1 . 50015 1 250 . 1 . 1 19 19 ILE N N 15 120.213 0.022 . 1 . . . . . 19 Ile N . 50015 1 251 . 1 . 1 20 20 VAL H H 1 8.204 0.002 . 1 . . . . . 20 Val H . 50015 1 252 . 1 . 1 20 20 VAL HA H 1 5.030 0.005 . 1 . . . . . 20 Val HA . 50015 1 253 . 1 . 1 20 20 VAL HB H 1 1.855 0.005 . 1 . . . . . 20 Val HB . 50015 1 254 . 1 . 1 20 20 VAL HG11 H 1 0.765 0.004 . 1 . . . . . 20 Val HG11 . 50015 1 255 . 1 . 1 20 20 VAL HG12 H 1 0.765 0.004 . 1 . . . . . 20 Val HG12 . 50015 1 256 . 1 . 1 20 20 VAL HG13 H 1 0.765 0.004 . 1 . . . . . 20 Val HG13 . 50015 1 257 . 1 . 1 20 20 VAL HG21 H 1 0.861 0.006 . 1 . . . . . 20 Val HG21 . 50015 1 258 . 1 . 1 20 20 VAL HG22 H 1 0.861 0.006 . 1 . . . . . 20 Val HG22 . 50015 1 259 . 1 . 1 20 20 VAL HG23 H 1 0.861 0.006 . 1 . . . . . 20 Val HG23 . 50015 1 260 . 1 . 1 20 20 VAL C C 13 176.374 0.000 . 1 . . . . . 20 Val C . 50015 1 261 . 1 . 1 20 20 VAL CA C 13 60.155 0.002 . 1 . . . . . 20 Val CA . 50015 1 262 . 1 . 1 20 20 VAL CB C 13 33.031 0.137 . 1 . . . . . 20 Val CB . 50015 1 263 . 1 . 1 20 20 VAL CG1 C 13 20.634 0.017 . 1 . . . . . 20 Val CG1 . 50015 1 264 . 1 . 1 20 20 VAL CG2 C 13 20.685 0.018 . 1 . . . . . 20 Val CG2 . 50015 1 265 . 1 . 1 20 20 VAL N N 15 126.447 0.022 . 1 . . . . . 20 Val N . 50015 1 266 . 1 . 1 21 21 VAL H H 1 8.420 0.004 . 1 . . . . . 21 Val H . 50015 1 267 . 1 . 1 21 21 VAL HA H 1 4.562 0.010 . 1 . . . . . 21 Val HA . 50015 1 268 . 1 . 1 21 21 VAL HB H 1 1.983 0.005 . 1 . . . . . 21 Val HB . 50015 1 269 . 1 . 1 21 21 VAL HG11 H 1 0.786 0.004 . 1 . . . . . 21 Val HG11 . 50015 1 270 . 1 . 1 21 21 VAL HG12 H 1 0.786 0.004 . 1 . . . . . 21 Val HG12 . 50015 1 271 . 1 . 1 21 21 VAL HG13 H 1 0.786 0.004 . 1 . . . . . 21 Val HG13 . 50015 1 272 . 1 . 1 21 21 VAL HG21 H 1 0.821 0.006 . 1 . . . . . 21 Val HG21 . 50015 1 273 . 1 . 1 21 21 VAL HG22 H 1 0.821 0.006 . 1 . . . . . 21 Val HG22 . 50015 1 274 . 1 . 1 21 21 VAL HG23 H 1 0.821 0.006 . 1 . . . . . 21 Val HG23 . 50015 1 275 . 1 . 1 21 21 VAL C C 13 174.863 0.000 . 1 . . . . . 21 Val C . 50015 1 276 . 1 . 1 21 21 VAL CA C 13 59.599 0.016 . 1 . . . . . 21 Val CA . 50015 1 277 . 1 . 1 21 21 VAL CB C 13 35.138 0.065 . 1 . . . . . 21 Val CB . 50015 1 278 . 1 . 1 21 21 VAL CG1 C 13 20.232 0.021 . 1 . . . . . 21 Val CG1 . 50015 1 279 . 1 . 1 21 21 VAL CG2 C 13 21.182 0.026 . 1 . . . . . 21 Val CG2 . 50015 1 280 . 1 . 1 21 21 VAL N N 15 123.118 0.028 . 1 . . . . . 21 Val N . 50015 1 281 . 1 . 1 22 22 SER H H 1 8.413 0.003 . 1 . . . . . 22 Ser H . 50015 1 282 . 1 . 1 22 22 SER HA H 1 4.590 0.006 . 1 . . . . . 22 Ser HA . 50015 1 283 . 1 . 1 22 22 SER HB2 H 1 3.885 0.006 . 1 . . . . . 22 Ser HB2 . 50015 1 284 . 1 . 1 22 22 SER HB3 H 1 3.748 0.005 . 1 . . . . . 22 Ser HB3 . 50015 1 285 . 1 . 1 22 22 SER C C 13 173.785 0.000 . 1 . . . . . 22 Ser C . 50015 1 286 . 1 . 1 22 22 SER CA C 13 57.868 0.000 . 1 . . . . . 22 Ser CA . 50015 1 287 . 1 . 1 22 22 SER CB C 13 64.035 0.024 . 1 . . . . . 22 Ser CB . 50015 1 288 . 1 . 1 22 22 SER N N 15 120.257 0.024 . 1 . . . . . 22 Ser N . 50015 1 289 . 1 . 1 23 23 GLU H H 1 8.300 0.002 . 1 . . . . . 23 Glu H . 50015 1 290 . 1 . 1 23 23 GLU HA H 1 3.822 0.005 . 1 . . . . . 23 Glu HA . 50015 1 291 . 1 . 1 23 23 GLU HB2 H 1 1.716 0.006 . 1 . . . . . 23 Glu HB2 . 50015 1 292 . 1 . 1 23 23 GLU HB3 H 1 1.794 0.004 . 1 . . . . . 23 Glu HB3 . 50015 1 293 . 1 . 1 23 23 GLU HG2 H 1 1.666 0.004 . 1 . . . . . 23 Glu HG2 . 50015 1 294 . 1 . 1 23 23 GLU HG3 H 1 2.157 0.004 . 1 . . . . . 23 Glu HG3 . 50015 1 295 . 1 . 1 23 23 GLU C C 13 177.581 0.000 . 1 . . . . . 23 Glu C . 50015 1 296 . 1 . 1 23 23 GLU CA C 13 57.885 0.036 . 1 . . . . . 23 Glu CA . 50015 1 297 . 1 . 1 23 23 GLU CB C 13 29.659 0.052 . 1 . . . . . 23 Glu CB . 50015 1 298 . 1 . 1 23 23 GLU CG C 13 36.167 0.021 . 1 . . . . . 23 Glu CG . 50015 1 299 . 1 . 1 23 23 GLU N N 15 121.917 0.021 . 1 . . . . . 23 Glu N . 50015 1 300 . 1 . 1 24 24 HIS H H 1 9.533 0.012 . 1 . . . . . 24 His H . 50015 1 301 . 1 . 1 24 24 HIS HA H 1 4.361 0.006 . 1 . . . . . 24 His HA . 50015 1 302 . 1 . 1 24 24 HIS HB2 H 1 3.374 0.004 . 1 . . . . . 24 His HB2 . 50015 1 303 . 1 . 1 24 24 HIS HB3 H 1 3.655 0.010 . 1 . . . . . 24 His HB3 . 50015 1 304 . 1 . 1 24 24 HIS C C 13 175.349 0.000 . 1 . . . . . 24 His C . 50015 1 305 . 1 . 1 24 24 HIS CA C 13 57.480 0.017 . 1 . . . . . 24 His CA . 50015 1 306 . 1 . 1 24 24 HIS CB C 13 27.018 0.045 . 1 . . . . . 24 His CB . 50015 1 307 . 1 . 1 24 24 HIS N N 15 115.274 0.044 . 1 . . . . . 24 His N . 50015 1 308 . 1 . 1 25 25 GLN H H 1 7.835 0.005 . 1 . . . . . 25 Gln H . 50015 1 309 . 1 . 1 25 25 GLN HA H 1 4.521 0.008 . 1 . . . . . 25 Gln HA . 50015 1 310 . 1 . 1 25 25 GLN HB2 H 1 2.148 0.006 . 1 . . . . . 25 Gln HB2 . 50015 1 311 . 1 . 1 25 25 GLN HB3 H 1 2.315 0.008 . 1 . . . . . 25 Gln HB3 . 50015 1 312 . 1 . 1 25 25 GLN HG2 H 1 2.379 0.016 . 1 . . . . . 25 Gln HG2 . 50015 1 313 . 1 . 1 25 25 GLN HG3 H 1 2.408 0.002 . 1 . . . . . 25 Gln HG3 . 50015 1 314 . 1 . 1 25 25 GLN HE21 H 1 7.549 0.002 . 1 . . . . . 25 Gln HE21 . 50015 1 315 . 1 . 1 25 25 GLN HE22 H 1 6.941 0.002 . 1 . . . . . 25 Gln HE22 . 50015 1 316 . 1 . 1 25 25 GLN C C 13 174.807 0.000 . 1 . . . . . 25 Gln C . 50015 1 317 . 1 . 1 25 25 GLN CA C 13 55.240 0.010 . 1 . . . . . 25 Gln CA . 50015 1 318 . 1 . 1 25 25 GLN CB C 13 29.055 0.065 . 1 . . . . . 25 Gln CB . 50015 1 319 . 1 . 1 25 25 GLN CG C 13 34.261 0.040 . 1 . . . . . 25 Gln CG . 50015 1 320 . 1 . 1 25 25 GLN CD C 13 180.969 0.000 . 1 . . . . . 25 Gln CD . 50015 1 321 . 1 . 1 25 25 GLN N N 15 119.583 0.025 . 1 . . . . . 25 Gln N . 50015 1 322 . 1 . 1 25 25 GLN NE2 N 15 113.045 0.021 . 1 . . . . . 25 Gln NE2 . 50015 1 323 . 1 . 1 26 26 SER H H 1 8.195 0.006 . 1 . . . . . 26 Ser H . 50015 1 324 . 1 . 1 26 26 SER HA H 1 5.363 0.003 . 1 . . . . . 26 Ser HA . 50015 1 325 . 1 . 1 26 26 SER HB2 H 1 3.628 0.006 . 1 . . . . . 26 Ser HB2 . 50015 1 326 . 1 . 1 26 26 SER HB3 H 1 3.551 0.004 . 1 . . . . . 26 Ser HB3 . 50015 1 327 . 1 . 1 26 26 SER C C 13 173.340 0.000 . 1 . . . . . 26 Ser C . 50015 1 328 . 1 . 1 26 26 SER CA C 13 57.492 0.035 . 1 . . . . . 26 Ser CA . 50015 1 329 . 1 . 1 26 26 SER CB C 13 63.515 0.033 . 1 . . . . . 26 Ser CB . 50015 1 330 . 1 . 1 26 26 SER N N 15 113.755 0.028 . 1 . . . . . 26 Ser N . 50015 1 331 . 1 . 1 27 27 ALA H H 1 8.703 0.004 . 1 . . . . . 27 Ala H . 50015 1 332 . 1 . 1 27 27 ALA HA H 1 4.576 0.006 . 1 . . . . . 27 Ala HA . 50015 1 333 . 1 . 1 27 27 ALA HB1 H 1 1.030 0.004 . 1 . . . . . 27 Ala HB1 . 50015 1 334 . 1 . 1 27 27 ALA HB2 H 1 1.030 0.004 . 1 . . . . . 27 Ala HB2 . 50015 1 335 . 1 . 1 27 27 ALA HB3 H 1 1.030 0.004 . 1 . . . . . 27 Ala HB3 . 50015 1 336 . 1 . 1 27 27 ALA C C 13 175.501 0.000 . 1 . . . . . 27 Ala C . 50015 1 337 . 1 . 1 27 27 ALA CA C 13 50.095 0.003 . 1 . . . . . 27 Ala CA . 50015 1 338 . 1 . 1 27 27 ALA CB C 13 23.271 0.039 . 1 . . . . . 27 Ala CB . 50015 1 339 . 1 . 1 27 27 ALA N N 15 125.448 0.033 . 1 . . . . . 27 Ala N . 50015 1 340 . 1 . 1 28 28 THR H H 1 8.286 0.002 . 1 . . . . . 28 Thr H . 50015 1 341 . 1 . 1 28 28 THR HA H 1 5.345 0.004 . 1 . . . . . 28 Thr HA . 50015 1 342 . 1 . 1 28 28 THR HB H 1 3.746 0.003 . 1 . . . . . 28 Thr HB . 50015 1 343 . 1 . 1 28 28 THR HG21 H 1 1.143 0.005 . 1 . . . . . 28 Thr HG21 . 50015 1 344 . 1 . 1 28 28 THR HG22 H 1 1.143 0.005 . 1 . . . . . 28 Thr HG22 . 50015 1 345 . 1 . 1 28 28 THR HG23 H 1 1.143 0.005 . 1 . . . . . 28 Thr HG23 . 50015 1 346 . 1 . 1 28 28 THR C C 13 174.213 0.000 . 1 . . . . . 28 Thr C . 50015 1 347 . 1 . 1 28 28 THR CA C 13 61.178 0.015 . 1 . . . . . 28 Thr CA . 50015 1 348 . 1 . 1 28 28 THR CB C 13 71.336 0.040 . 1 . . . . . 28 Thr CB . 50015 1 349 . 1 . 1 28 28 THR CG2 C 13 21.436 0.054 . 1 . . . . . 28 Thr CG2 . 50015 1 350 . 1 . 1 28 28 THR N N 15 117.747 0.020 . 1 . . . . . 28 Thr N . 50015 1 351 . 1 . 1 29 29 PHE H H 1 9.112 0.002 . 1 . . . . . 29 Phe H . 50015 1 352 . 1 . 1 29 29 PHE HA H 1 4.818 0.007 . 1 . . . . . 29 Phe HA . 50015 1 353 . 1 . 1 29 29 PHE HB2 H 1 3.220 0.007 . 1 . . . . . 29 Phe HB2 . 50015 1 354 . 1 . 1 29 29 PHE HB3 H 1 2.810 0.005 . 1 . . . . . 29 Phe HB3 . 50015 1 355 . 1 . 1 29 29 PHE HD1 H 1 7.093 0.006 . 1 . . . . . 29 Phe HD1 . 50015 1 356 . 1 . 1 29 29 PHE HD2 H 1 7.093 0.006 . 1 . . . . . 29 Phe HD2 . 50015 1 357 . 1 . 1 29 29 PHE HE1 H 1 6.822 0.007 . 1 . . . . . 29 Phe HE1 . 50015 1 358 . 1 . 1 29 29 PHE HE2 H 1 6.822 0.007 . 1 . . . . . 29 Phe HE2 . 50015 1 359 . 1 . 1 29 29 PHE HZ H 1 6.766 0.010 . 1 . . . . . 29 Phe HZ . 50015 1 360 . 1 . 1 29 29 PHE C C 13 174.858 0.000 . 1 . . . . . 29 Phe C . 50015 1 361 . 1 . 1 29 29 PHE CA C 13 57.422 0.024 . 1 . . . . . 29 Phe CA . 50015 1 362 . 1 . 1 29 29 PHE CB C 13 43.425 0.061 . 1 . . . . . 29 Phe CB . 50015 1 363 . 1 . 1 29 29 PHE CD1 C 13 132.524 0.113 . 1 . . . . . 29 Phe CD1 . 50015 1 364 . 1 . 1 29 29 PHE CD2 C 13 132.524 0.113 . 1 . . . . . 29 Phe CD2 . 50015 1 365 . 1 . 1 29 29 PHE CE1 C 13 132.267 0.146 . 1 . . . . . 29 Phe CE1 . 50015 1 366 . 1 . 1 29 29 PHE CE2 C 13 132.267 0.146 . 1 . . . . . 29 Phe CE2 . 50015 1 367 . 1 . 1 29 29 PHE CZ C 13 129.767 0.015 . 1 . . . . . 29 Phe CZ . 50015 1 368 . 1 . 1 29 29 PHE N N 15 126.387 0.021 . 1 . . . . . 29 Phe N . 50015 1 369 . 1 . 1 30 30 GLU H H 1 8.511 0.004 . 1 . . . . . 30 Glu H . 50015 1 370 . 1 . 1 30 30 GLU HA H 1 5.362 0.006 . 1 . . . . . 30 Glu HA . 50015 1 371 . 1 . 1 30 30 GLU HB2 H 1 1.912 0.005 . 1 . . . . . 30 Glu HB2 . 50015 1 372 . 1 . 1 30 30 GLU HB3 H 1 1.996 0.005 . 1 . . . . . 30 Glu HB3 . 50015 1 373 . 1 . 1 30 30 GLU HG2 H 1 1.999 0.001 . 1 . . . . . 30 Glu HG2 . 50015 1 374 . 1 . 1 30 30 GLU HG3 H 1 2.041 0.003 . 1 . . . . . 30 Glu HG3 . 50015 1 375 . 1 . 1 30 30 GLU C C 13 174.347 0.000 . 1 . . . . . 30 Glu C . 50015 1 376 . 1 . 1 30 30 GLU CA C 13 54.076 0.052 . 1 . . . . . 30 Glu CA . 50015 1 377 . 1 . 1 30 30 GLU CB C 13 34.224 0.080 . 1 . . . . . 30 Glu CB . 50015 1 378 . 1 . 1 30 30 GLU CG C 13 35.807 0.065 . 1 . . . . . 30 Glu CG . 50015 1 379 . 1 . 1 30 30 GLU N N 15 118.896 0.028 . 1 . . . . . 30 Glu N . 50015 1 380 . 1 . 1 31 31 CYS H H 1 8.930 0.002 . 1 . . . . . 31 Cys H . 50015 1 381 . 1 . 1 31 31 CYS HA H 1 4.877 0.007 . 1 . . . . . 31 Cys HA . 50015 1 382 . 1 . 1 31 31 CYS HB2 H 1 3.063 0.008 . 1 . . . . . 31 Cys HB2 . 50015 1 383 . 1 . 1 31 31 CYS HB3 H 1 3.181 0.009 . 1 . . . . . 31 Cys HB3 . 50015 1 384 . 1 . 1 31 31 CYS HG H 1 1.568 0.008 . 1 . . . . . 31 Cys HG . 50015 1 385 . 1 . 1 31 31 CYS C C 13 172.493 0.000 . 1 . . . . . 31 Cys C . 50015 1 386 . 1 . 1 31 31 CYS CA C 13 55.268 0.000 . 1 . . . . . 31 Cys CA . 50015 1 387 . 1 . 1 31 31 CYS CB C 13 32.422 0.061 . 1 . . . . . 31 Cys CB . 50015 1 388 . 1 . 1 31 31 CYS N N 15 116.371 0.030 . 1 . . . . . 31 Cys N . 50015 1 389 . 1 . 1 32 32 GLU H H 1 9.261 0.007 . 1 . . . . . 32 Glu H . 50015 1 390 . 1 . 1 32 32 GLU HA H 1 5.554 0.007 . 1 . . . . . 32 Glu HA . 50015 1 391 . 1 . 1 32 32 GLU HB2 H 1 1.955 0.017 . 1 . . . . . 32 Glu HB2 . 50015 1 392 . 1 . 1 32 32 GLU HB3 H 1 1.941 0.016 . 1 . . . . . 32 Glu HB3 . 50015 1 393 . 1 . 1 32 32 GLU HG2 H 1 2.185 0.005 . 1 . . . . . 32 Glu HG2 . 50015 1 394 . 1 . 1 32 32 GLU HG3 H 1 2.242 0.006 . 1 . . . . . 32 Glu HG3 . 50015 1 395 . 1 . 1 32 32 GLU C C 13 176.318 0.000 . 1 . . . . . 32 Glu C . 50015 1 396 . 1 . 1 32 32 GLU CA C 13 55.266 0.066 . 1 . . . . . 32 Glu CA . 50015 1 397 . 1 . 1 32 32 GLU CB C 13 34.151 0.034 . 1 . . . . . 32 Glu CB . 50015 1 398 . 1 . 1 32 32 GLU CG C 13 36.808 0.046 . 1 . . . . . 32 Glu CG . 50015 1 399 . 1 . 1 32 32 GLU N N 15 122.025 0.025 . 1 . . . . . 32 Glu N . 50015 1 400 . 1 . 1 33 33 VAL H H 1 8.639 0.004 . 1 . . . . . 33 Val H . 50015 1 401 . 1 . 1 33 33 VAL HA H 1 5.084 0.005 . 1 . . . . . 33 Val HA . 50015 1 402 . 1 . 1 33 33 VAL HB H 1 1.900 0.004 . 1 . . . . . 33 Val HB . 50015 1 403 . 1 . 1 33 33 VAL HG11 H 1 0.408 0.003 . 1 . . . . . 33 Val HG11 . 50015 1 404 . 1 . 1 33 33 VAL HG12 H 1 0.408 0.003 . 1 . . . . . 33 Val HG12 . 50015 1 405 . 1 . 1 33 33 VAL HG13 H 1 0.408 0.003 . 1 . . . . . 33 Val HG13 . 50015 1 406 . 1 . 1 33 33 VAL HG21 H 1 1.000 0.003 . 1 . . . . . 33 Val HG21 . 50015 1 407 . 1 . 1 33 33 VAL HG22 H 1 1.000 0.003 . 1 . . . . . 33 Val HG22 . 50015 1 408 . 1 . 1 33 33 VAL HG23 H 1 1.000 0.003 . 1 . . . . . 33 Val HG23 . 50015 1 409 . 1 . 1 33 33 VAL C C 13 176.738 0.000 . 1 . . . . . 33 Val C . 50015 1 410 . 1 . 1 33 33 VAL CA C 13 59.293 0.005 . 1 . . . . . 33 Val CA . 50015 1 411 . 1 . 1 33 33 VAL CB C 13 34.429 0.051 . 1 . . . . . 33 Val CB . 50015 1 412 . 1 . 1 33 33 VAL CG1 C 13 22.266 0.049 . 1 . . . . . 33 Val CG1 . 50015 1 413 . 1 . 1 33 33 VAL CG2 C 13 19.870 0.042 . 1 . . . . . 33 Val CG2 . 50015 1 414 . 1 . 1 33 33 VAL N N 15 119.855 0.033 . 1 . . . . . 33 Val N . 50015 1 415 . 1 . 1 34 34 SER H H 1 8.298 0.002 . 1 . . . . . 34 Ser H . 50015 1 416 . 1 . 1 34 34 SER HA H 1 4.028 0.001 . 1 . . . . . 34 Ser HA . 50015 1 417 . 1 . 1 34 34 SER HB2 H 1 3.498 0.004 . 1 . . . . . 34 Ser HB2 . 50015 1 418 . 1 . 1 34 34 SER HB3 H 1 3.809 0.005 . 1 . . . . . 34 Ser HB3 . 50015 1 419 . 1 . 1 34 34 SER C C 13 173.227 0.000 . 1 . . . . . 34 Ser C . 50015 1 420 . 1 . 1 34 34 SER CA C 13 59.458 0.019 . 1 . . . . . 34 Ser CA . 50015 1 421 . 1 . 1 34 34 SER CB C 13 63.328 0.025 . 1 . . . . . 34 Ser CB . 50015 1 422 . 1 . 1 34 34 SER N N 15 111.934 0.027 . 1 . . . . . 34 Ser N . 50015 1 423 . 1 . 1 35 35 PHE H H 1 6.576 0.004 . 1 . . . . . 35 Phe H . 50015 1 424 . 1 . 1 35 35 PHE HA H 1 4.937 0.005 . 1 . . . . . 35 Phe HA . 50015 1 425 . 1 . 1 35 35 PHE HB2 H 1 2.383 0.003 . 1 . . . . . 35 Phe HB2 . 50015 1 426 . 1 . 1 35 35 PHE HB3 H 1 3.265 0.007 . 1 . . . . . 35 Phe HB3 . 50015 1 427 . 1 . 1 35 35 PHE HD1 H 1 7.154 0.006 . 1 . . . . . 35 Phe HD1 . 50015 1 428 . 1 . 1 35 35 PHE HD2 H 1 7.154 0.006 . 1 . . . . . 35 Phe HD2 . 50015 1 429 . 1 . 1 35 35 PHE HE1 H 1 7.293 0.010 . 1 . . . . . 35 Phe HE1 . 50015 1 430 . 1 . 1 35 35 PHE HE2 H 1 7.293 0.010 . 1 . . . . . 35 Phe HE2 . 50015 1 431 . 1 . 1 35 35 PHE C C 13 174.973 0.000 . 1 . . . . . 35 Phe C . 50015 1 432 . 1 . 1 35 35 PHE CA C 13 55.929 0.000 . 1 . . . . . 35 Phe CA . 50015 1 433 . 1 . 1 35 35 PHE CB C 13 43.897 0.038 . 1 . . . . . 35 Phe CB . 50015 1 434 . 1 . 1 35 35 PHE CD1 C 13 132.684 0.148 . 1 . . . . . 35 Phe CD1 . 50015 1 435 . 1 . 1 35 35 PHE CD2 C 13 132.684 0.148 . 1 . . . . . 35 Phe CD2 . 50015 1 436 . 1 . 1 35 35 PHE CE1 C 13 130.697 0.077 . 1 . . . . . 35 Phe CE1 . 50015 1 437 . 1 . 1 35 35 PHE CE2 C 13 130.697 0.077 . 1 . . . . . 35 Phe CE2 . 50015 1 438 . 1 . 1 35 35 PHE N N 15 115.457 0.029 . 1 . . . . . 35 Phe N . 50015 1 439 . 1 . 1 36 36 ASP H H 1 8.708 0.003 . 1 . . . . . 36 Asp H . 50015 1 440 . 1 . 1 36 36 ASP HA H 1 4.791 0.004 . 1 . . . . . 36 Asp HA . 50015 1 441 . 1 . 1 36 36 ASP HB2 H 1 2.489 0.005 . 1 . . . . . 36 Asp HB2 . 50015 1 442 . 1 . 1 36 36 ASP HB3 H 1 2.642 0.003 . 1 . . . . . 36 Asp HB3 . 50015 1 443 . 1 . 1 36 36 ASP C C 13 175.735 0.000 . 1 . . . . . 36 Asp C . 50015 1 444 . 1 . 1 36 36 ASP CA C 13 55.582 0.001 . 1 . . . . . 36 Asp CA . 50015 1 445 . 1 . 1 36 36 ASP CB C 13 41.640 0.042 . 1 . . . . . 36 Asp CB . 50015 1 446 . 1 . 1 36 36 ASP N N 15 120.401 0.029 . 1 . . . . . 36 Asp N . 50015 1 447 . 1 . 1 37 37 ASP H H 1 8.603 0.007 . 1 . . . . . 37 Asp H . 50015 1 448 . 1 . 1 37 37 ASP HA H 1 4.418 0.007 . 1 . . . . . 37 Asp HA . 50015 1 449 . 1 . 1 37 37 ASP HB2 H 1 2.870 0.003 . 1 . . . . . 37 Asp HB2 . 50015 1 450 . 1 . 1 37 37 ASP HB3 H 1 2.789 0.003 . 1 . . . . . 37 Asp HB3 . 50015 1 451 . 1 . 1 37 37 ASP C C 13 175.088 0.000 . 1 . . . . . 37 Asp C . 50015 1 452 . 1 . 1 37 37 ASP CA C 13 55.056 0.098 . 1 . . . . . 37 Asp CA . 50015 1 453 . 1 . 1 37 37 ASP CB C 13 38.653 0.029 . 1 . . . . . 37 Asp CB . 50015 1 454 . 1 . 1 37 37 ASP N N 15 113.109 0.028 . 1 . . . . . 37 Asp N . 50015 1 455 . 1 . 1 38 38 ALA H H 1 7.484 0.007 . 1 . . . . . 38 Ala H . 50015 1 456 . 1 . 1 38 38 ALA HA H 1 4.287 0.006 . 1 . . . . . 38 Ala HA . 50015 1 457 . 1 . 1 38 38 ALA HB1 H 1 1.057 0.004 . 1 . . . . . 38 Ala HB1 . 50015 1 458 . 1 . 1 38 38 ALA HB2 H 1 1.057 0.004 . 1 . . . . . 38 Ala HB2 . 50015 1 459 . 1 . 1 38 38 ALA HB3 H 1 1.057 0.004 . 1 . . . . . 38 Ala HB3 . 50015 1 460 . 1 . 1 38 38 ALA C C 13 176.734 0.000 . 1 . . . . . 38 Ala C . 50015 1 461 . 1 . 1 38 38 ALA CA C 13 52.058 0.037 . 1 . . . . . 38 Ala CA . 50015 1 462 . 1 . 1 38 38 ALA CB C 13 19.458 0.055 . 1 . . . . . 38 Ala CB . 50015 1 463 . 1 . 1 38 38 ALA N N 15 119.195 0.020 . 1 . . . . . 38 Ala N . 50015 1 464 . 1 . 1 39 39 ILE H H 1 8.842 0.006 . 1 . . . . . 39 Ile H . 50015 1 465 . 1 . 1 39 39 ILE HA H 1 4.244 0.017 . 1 . . . . . 39 Ile HA . 50015 1 466 . 1 . 1 39 39 ILE HB H 1 1.818 0.004 . 1 . . . . . 39 Ile HB . 50015 1 467 . 1 . 1 39 39 ILE HG12 H 1 1.627 0.001 . 1 . . . . . 39 Ile HG12 . 50015 1 468 . 1 . 1 39 39 ILE HG13 H 1 1.235 0.005 . 1 . . . . . 39 Ile HG13 . 50015 1 469 . 1 . 1 39 39 ILE HG21 H 1 0.854 0.002 . 1 . . . . . 39 Ile HG21 . 50015 1 470 . 1 . 1 39 39 ILE HG22 H 1 0.854 0.002 . 1 . . . . . 39 Ile HG22 . 50015 1 471 . 1 . 1 39 39 ILE HG23 H 1 0.854 0.002 . 1 . . . . . 39 Ile HG23 . 50015 1 472 . 1 . 1 39 39 ILE HD11 H 1 0.877 0.008 . 1 . . . . . 39 Ile HD11 . 50015 1 473 . 1 . 1 39 39 ILE HD12 H 1 0.877 0.008 . 1 . . . . . 39 Ile HD12 . 50015 1 474 . 1 . 1 39 39 ILE HD13 H 1 0.877 0.008 . 1 . . . . . 39 Ile HD13 . 50015 1 475 . 1 . 1 39 39 ILE C C 13 175.699 0.000 . 1 . . . . . 39 Ile C . 50015 1 476 . 1 . 1 39 39 ILE CA C 13 60.458 0.012 . 1 . . . . . 39 Ile CA . 50015 1 477 . 1 . 1 39 39 ILE CB C 13 38.107 0.055 . 1 . . . . . 39 Ile CB . 50015 1 478 . 1 . 1 39 39 ILE CG1 C 13 27.441 0.000 . 1 . . . . . 39 Ile CG1 . 50015 1 479 . 1 . 1 39 39 ILE CG2 C 13 17.077 0.061 . 1 . . . . . 39 Ile CG2 . 50015 1 480 . 1 . 1 39 39 ILE CD1 C 13 12.659 0.073 . 1 . . . . . 39 Ile CD1 . 50015 1 481 . 1 . 1 39 39 ILE N N 15 122.692 0.021 . 1 . . . . . 39 Ile N . 50015 1 482 . 1 . 1 40 40 VAL H H 1 8.623 0.006 . 1 . . . . . 40 Val H . 50015 1 483 . 1 . 1 40 40 VAL HA H 1 5.093 0.008 . 1 . . . . . 40 Val HA . 50015 1 484 . 1 . 1 40 40 VAL HB H 1 1.453 0.003 . 1 . . . . . 40 Val HB . 50015 1 485 . 1 . 1 40 40 VAL HG11 H 1 0.058 0.002 . 1 . . . . . 40 Val HG11 . 50015 1 486 . 1 . 1 40 40 VAL HG12 H 1 0.058 0.002 . 1 . . . . . 40 Val HG12 . 50015 1 487 . 1 . 1 40 40 VAL HG13 H 1 0.058 0.002 . 1 . . . . . 40 Val HG13 . 50015 1 488 . 1 . 1 40 40 VAL HG21 H 1 0.154 0.005 . 1 . . . . . 40 Val HG21 . 50015 1 489 . 1 . 1 40 40 VAL HG22 H 1 0.154 0.005 . 1 . . . . . 40 Val HG22 . 50015 1 490 . 1 . 1 40 40 VAL HG23 H 1 0.154 0.005 . 1 . . . . . 40 Val HG23 . 50015 1 491 . 1 . 1 40 40 VAL C C 13 175.574 0.000 . 1 . . . . . 40 Val C . 50015 1 492 . 1 . 1 40 40 VAL CB C 13 33.154 0.032 . 1 . . . . . 40 Val CB . 50015 1 493 . 1 . 1 40 40 VAL CG1 C 13 19.464 0.013 . 1 . . . . . 40 Val CG1 . 50015 1 494 . 1 . 1 40 40 VAL CG2 C 13 20.545 0.222 . 1 . . . . . 40 Val CG2 . 50015 1 495 . 1 . 1 40 40 VAL N N 15 119.631 0.021 . 1 . . . . . 40 Val N . 50015 1 496 . 1 . 1 41 41 THR H H 1 8.699 0.007 . 1 . . . . . 41 Thr H . 50015 1 497 . 1 . 1 41 41 THR HA H 1 4.399 0.005 . 1 . . . . . 41 Thr HA . 50015 1 498 . 1 . 1 41 41 THR HB H 1 3.755 0.004 . 1 . . . . . 41 Thr HB . 50015 1 499 . 1 . 1 41 41 THR HG21 H 1 1.025 0.003 . 1 . . . . . 41 Thr HG21 . 50015 1 500 . 1 . 1 41 41 THR HG22 H 1 1.025 0.003 . 1 . . . . . 41 Thr HG22 . 50015 1 501 . 1 . 1 41 41 THR HG23 H 1 1.025 0.003 . 1 . . . . . 41 Thr HG23 . 50015 1 502 . 1 . 1 41 41 THR C C 13 185.319 0.000 . 1 . . . . . 41 Thr C . 50015 1 503 . 1 . 1 41 41 THR CA C 13 60.788 0.016 . 1 . . . . . 41 Thr CA . 50015 1 504 . 1 . 1 41 41 THR CB C 13 71.322 0.035 . 1 . . . . . 41 Thr CB . 50015 1 505 . 1 . 1 41 41 THR CG2 C 13 22.152 0.095 . 1 . . . . . 41 Thr CG2 . 50015 1 506 . 1 . 1 41 41 THR N N 15 122.386 0.051 . 1 . . . . . 41 Thr N . 50015 1 507 . 1 . 1 42 42 TRP H H 1 8.892 0.017 . 1 . . . . . 42 Trp H . 50015 1 508 . 1 . 1 42 42 TRP HA H 1 5.326 0.009 . 1 . . . . . 42 Trp HA . 50015 1 509 . 1 . 1 42 42 TRP HB2 H 1 3.298 0.008 . 1 . . . . . 42 Trp HB2 . 50015 1 510 . 1 . 1 42 42 TRP HB3 H 1 2.837 0.007 . 1 . . . . . 42 Trp HB3 . 50015 1 511 . 1 . 1 42 42 TRP HD1 H 1 6.797 0.004 . 1 . . . . . 42 Trp HD1 . 50015 1 512 . 1 . 1 42 42 TRP HE1 H 1 10.570 0.009 . 1 . . . . . 42 Trp HE1 . 50015 1 513 . 1 . 1 42 42 TRP HE3 H 1 7.293 0.013 . 1 . . . . . 42 Trp HE3 . 50015 1 514 . 1 . 1 42 42 TRP HZ2 H 1 6.958 0.010 . 1 . . . . . 42 Trp HZ2 . 50015 1 515 . 1 . 1 42 42 TRP HZ3 H 1 6.483 0.008 . 1 . . . . . 42 Trp HZ3 . 50015 1 516 . 1 . 1 42 42 TRP HH2 H 1 6.674 0.007 . 1 . . . . . 42 Trp HH2 . 50015 1 517 . 1 . 1 42 42 TRP C C 13 175.251 0.000 . 1 . . . . . 42 Trp C . 50015 1 518 . 1 . 1 42 42 TRP CA C 13 55.839 0.036 . 1 . . . . . 42 Trp CA . 50015 1 519 . 1 . 1 42 42 TRP CB C 13 32.497 0.057 . 1 . . . . . 42 Trp CB . 50015 1 520 . 1 . 1 42 42 TRP CD1 C 13 129.793 0.020 . 1 . . . . . 42 Trp CD1 . 50015 1 521 . 1 . 1 42 42 TRP CE3 C 13 122.272 0.066 . 1 . . . . . 42 Trp CE3 . 50015 1 522 . 1 . 1 42 42 TRP CZ2 C 13 114.543 0.101 . 1 . . . . . 42 Trp CZ2 . 50015 1 523 . 1 . 1 42 42 TRP CZ3 C 13 121.289 0.023 . 1 . . . . . 42 Trp CZ3 . 50015 1 524 . 1 . 1 42 42 TRP CH2 C 13 124.174 0.039 . 1 . . . . . 42 Trp CH2 . 50015 1 525 . 1 . 1 42 42 TRP N N 15 125.719 0.014 . 1 . . . . . 42 Trp N . 50015 1 526 . 1 . 1 42 42 TRP NE1 N 15 130.993 0.030 . 1 . . . . . 42 Trp NE1 . 50015 1 527 . 1 . 1 43 43 TYR H H 1 9.428 0.003 . 1 . . . . . 43 Tyr H . 50015 1 528 . 1 . 1 43 43 TYR HA H 1 5.225 0.005 . 1 . . . . . 43 Tyr HA . 50015 1 529 . 1 . 1 43 43 TYR HB2 H 1 2.921 0.012 . 1 . . . . . 43 Tyr HB2 . 50015 1 530 . 1 . 1 43 43 TYR HB3 H 1 2.554 0.006 . 1 . . . . . 43 Tyr HB3 . 50015 1 531 . 1 . 1 43 43 TYR HD1 H 1 6.678 0.008 . 1 . . . . . 43 Tyr HD1 . 50015 1 532 . 1 . 1 43 43 TYR HD2 H 1 6.678 0.008 . 1 . . . . . 43 Tyr HD2 . 50015 1 533 . 1 . 1 43 43 TYR HE1 H 1 6.578 0.008 . 1 . . . . . 43 Tyr HE1 . 50015 1 534 . 1 . 1 43 43 TYR HE2 H 1 6.578 0.008 . 1 . . . . . 43 Tyr HE2 . 50015 1 535 . 1 . 1 43 43 TYR C C 13 176.026 0.000 . 1 . . . . . 43 Tyr C . 50015 1 536 . 1 . 1 43 43 TYR CA C 13 56.702 0.076 . 1 . . . . . 43 Tyr CA . 50015 1 537 . 1 . 1 43 43 TYR CB C 13 42.703 0.060 . 1 . . . . . 43 Tyr CB . 50015 1 538 . 1 . 1 43 43 TYR CD1 C 13 133.630 0.011 . 1 . . . . . 43 Tyr CD1 . 50015 1 539 . 1 . 1 43 43 TYR CD2 C 13 133.630 0.011 . 1 . . . . . 43 Tyr CD2 . 50015 1 540 . 1 . 1 43 43 TYR CE1 C 13 119.053 0.031 . 1 . . . . . 43 Tyr CE1 . 50015 1 541 . 1 . 1 43 43 TYR CE2 C 13 119.053 0.031 . 1 . . . . . 43 Tyr CE2 . 50015 1 542 . 1 . 1 43 43 TYR N N 15 117.771 0.028 . 1 . . . . . 43 Tyr N . 50015 1 543 . 1 . 1 44 44 LYS H H 1 8.506 0.003 . 1 . . . . . 44 Lys H . 50015 1 544 . 1 . 1 44 44 LYS HA H 1 4.386 0.005 . 1 . . . . . 44 Lys HA . 50015 1 545 . 1 . 1 44 44 LYS HB2 H 1 1.476 0.005 . 1 . . . . . 44 Lys HB2 . 50015 1 546 . 1 . 1 44 44 LYS HB3 H 1 1.781 0.004 . 1 . . . . . 44 Lys HB3 . 50015 1 547 . 1 . 1 44 44 LYS HG2 H 1 0.970 0.007 . 1 . . . . . 44 Lys HG2 . 50015 1 548 . 1 . 1 44 44 LYS HG3 H 1 0.363 0.007 . 1 . . . . . 44 Lys HG3 . 50015 1 549 . 1 . 1 44 44 LYS HD2 H 1 1.567 0.004 . 1 . . . . . 44 Lys HD2 . 50015 1 550 . 1 . 1 44 44 LYS HD3 H 1 1.695 0.005 . 1 . . . . . 44 Lys HD3 . 50015 1 551 . 1 . 1 44 44 LYS HE2 H 1 2.682 0.003 . 1 . . . . . 44 Lys HE2 . 50015 1 552 . 1 . 1 44 44 LYS HE3 H 1 3.037 0.005 . 1 . . . . . 44 Lys HE3 . 50015 1 553 . 1 . 1 44 44 LYS C C 13 177.251 0.000 . 1 . . . . . 44 Lys C . 50015 1 554 . 1 . 1 44 44 LYS CA C 13 54.888 0.086 . 1 . . . . . 44 Lys CA . 50015 1 555 . 1 . 1 44 44 LYS CB C 13 34.628 0.068 . 1 . . . . . 44 Lys CB . 50015 1 556 . 1 . 1 44 44 LYS CG C 13 25.282 0.026 . 1 . . . . . 44 Lys CG . 50015 1 557 . 1 . 1 44 44 LYS CD C 13 29.185 0.044 . 1 . . . . . 44 Lys CD . 50015 1 558 . 1 . 1 44 44 LYS CE C 13 42.865 0.026 . 1 . . . . . 44 Lys CE . 50015 1 559 . 1 . 1 44 44 LYS N N 15 121.019 0.017 . 1 . . . . . 44 Lys N . 50015 1 560 . 1 . 1 45 45 GLY H H 1 8.465 0.003 . 1 . . . . . 45 Gly H . 50015 1 561 . 1 . 1 45 45 GLY HA2 H 1 3.424 0.008 . 1 . . . . . 45 Gly HA2 . 50015 1 562 . 1 . 1 45 45 GLY HA3 H 1 4.238 0.005 . 1 . . . . . 45 Gly HA3 . 50015 1 563 . 1 . 1 45 45 GLY CA C 13 44.689 0.055 . 1 . . . . . 45 Gly CA . 50015 1 564 . 1 . 1 45 45 GLY N N 15 120.190 0.031 . 1 . . . . . 45 Gly N . 50015 1 565 . 1 . 1 46 46 PRO HA H 1 4.563 0.001 . 1 . . . . . 46 Pro HA . 50015 1 566 . 1 . 1 46 46 PRO HB2 H 1 2.012 0.008 . 1 . . . . . 46 Pro HB2 . 50015 1 567 . 1 . 1 46 46 PRO HB3 H 1 2.139 0.005 . 1 . . . . . 46 Pro HB3 . 50015 1 568 . 1 . 1 46 46 PRO HG2 H 1 2.047 0.000 . 1 . . . . . 46 Pro HG2 . 50015 1 569 . 1 . 1 46 46 PRO HG3 H 1 2.019 0.007 . 1 . . . . . 46 Pro HG3 . 50015 1 570 . 1 . 1 46 46 PRO HD2 H 1 3.689 0.005 . 1 . . . . . 46 Pro HD2 . 50015 1 571 . 1 . 1 46 46 PRO HD3 H 1 4.049 0.004 . 1 . . . . . 46 Pro HD3 . 50015 1 572 . 1 . 1 46 46 PRO C C 13 177.016 0.000 . 1 . . . . . 46 Pro C . 50015 1 573 . 1 . 1 46 46 PRO CA C 13 63.782 0.000 . 1 . . . . . 46 Pro CA . 50015 1 574 . 1 . 1 46 46 PRO CB C 13 32.434 0.053 . 1 . . . . . 46 Pro CB . 50015 1 575 . 1 . 1 46 46 PRO CG C 13 25.537 0.014 . 1 . . . . . 46 Pro CG . 50015 1 576 . 1 . 1 46 46 PRO CD C 13 50.032 0.039 . 1 . . . . . 46 Pro CD . 50015 1 577 . 1 . 1 47 47 THR H H 1 7.972 0.004 . 1 . . . . . 47 Thr H . 50015 1 578 . 1 . 1 47 47 THR HA H 1 4.213 0.003 . 1 . . . . . 47 Thr HA . 50015 1 579 . 1 . 1 47 47 THR HB H 1 4.209 0.004 . 1 . . . . . 47 Thr HB . 50015 1 580 . 1 . 1 47 47 THR HG21 H 1 1.262 0.004 . 1 . . . . . 47 Thr HG21 . 50015 1 581 . 1 . 1 47 47 THR HG22 H 1 1.262 0.004 . 1 . . . . . 47 Thr HG22 . 50015 1 582 . 1 . 1 47 47 THR HG23 H 1 1.262 0.004 . 1 . . . . . 47 Thr HG23 . 50015 1 583 . 1 . 1 47 47 THR C C 13 173.038 0.000 . 1 . . . . . 47 Thr C . 50015 1 584 . 1 . 1 47 47 THR CA C 13 63.043 0.007 . 1 . . . . . 47 Thr CA . 50015 1 585 . 1 . 1 47 47 THR CB C 13 69.877 0.037 . 1 . . . . . 47 Thr CB . 50015 1 586 . 1 . 1 47 47 THR CG2 C 13 21.908 0.030 . 1 . . . . . 47 Thr CG2 . 50015 1 587 . 1 . 1 47 47 THR N N 15 120.239 0.027 . 1 . . . . . 47 Thr N . 50015 1 588 . 1 . 1 48 48 GLU H H 1 8.768 0.005 . 1 . . . . . 48 Glu H . 50015 1 589 . 1 . 1 48 48 GLU HA H 1 3.686 0.010 . 1 . . . . . 48 Glu HA . 50015 1 590 . 1 . 1 48 48 GLU HB2 H 1 1.757 0.009 . 1 . . . . . 48 Glu HB2 . 50015 1 591 . 1 . 1 48 48 GLU HB3 H 1 1.810 0.001 . 1 . . . . . 48 Glu HB3 . 50015 1 592 . 1 . 1 48 48 GLU HG2 H 1 1.758 0.004 . 1 . . . . . 48 Glu HG2 . 50015 1 593 . 1 . 1 48 48 GLU HG3 H 1 1.859 0.006 . 1 . . . . . 48 Glu HG3 . 50015 1 594 . 1 . 1 48 48 GLU C C 13 175.775 0.000 . 1 . . . . . 48 Glu C . 50015 1 595 . 1 . 1 48 48 GLU CA C 13 56.306 0.067 . 1 . . . . . 48 Glu CA . 50015 1 596 . 1 . 1 48 48 GLU CB C 13 29.585 0.028 . 1 . . . . . 48 Glu CB . 50015 1 597 . 1 . 1 48 48 GLU CG C 13 35.482 0.052 . 1 . . . . . 48 Glu CG . 50015 1 598 . 1 . 1 48 48 GLU N N 15 130.041 0.024 . 1 . . . . . 48 Glu N . 50015 1 599 . 1 . 1 49 49 LEU H H 1 8.650 0.003 . 1 . . . . . 49 Leu H . 50015 1 600 . 1 . 1 49 49 LEU HA H 1 4.407 0.005 . 1 . . . . . 49 Leu HA . 50015 1 601 . 1 . 1 49 49 LEU HB2 H 1 0.705 0.007 . 1 . . . . . 49 Leu HB2 . 50015 1 602 . 1 . 1 49 49 LEU HB3 H 1 1.566 0.005 . 1 . . . . . 49 Leu HB3 . 50015 1 603 . 1 . 1 49 49 LEU HG H 1 1.554 0.007 . 1 . . . . . 49 Leu HG . 50015 1 604 . 1 . 1 49 49 LEU HD11 H 1 0.685 0.007 . 1 . . . . . 49 Leu HD11 . 50015 1 605 . 1 . 1 49 49 LEU HD12 H 1 0.685 0.007 . 1 . . . . . 49 Leu HD12 . 50015 1 606 . 1 . 1 49 49 LEU HD13 H 1 0.685 0.007 . 1 . . . . . 49 Leu HD13 . 50015 1 607 . 1 . 1 49 49 LEU HD21 H 1 0.458 0.004 . 1 . . . . . 49 Leu HD21 . 50015 1 608 . 1 . 1 49 49 LEU HD22 H 1 0.458 0.004 . 1 . . . . . 49 Leu HD22 . 50015 1 609 . 1 . 1 49 49 LEU HD23 H 1 0.458 0.004 . 1 . . . . . 49 Leu HD23 . 50015 1 610 . 1 . 1 49 49 LEU C C 13 175.902 0.000 . 1 . . . . . 49 Leu C . 50015 1 611 . 1 . 1 49 49 LEU CA C 13 53.557 0.008 . 1 . . . . . 49 Leu CA . 50015 1 612 . 1 . 1 49 49 LEU CB C 13 42.232 0.043 . 1 . . . . . 49 Leu CB . 50015 1 613 . 1 . 1 49 49 LEU CG C 13 25.978 0.024 . 1 . . . . . 49 Leu CG . 50015 1 614 . 1 . 1 49 49 LEU CD1 C 13 25.526 0.056 . 1 . . . . . 49 Leu CD1 . 50015 1 615 . 1 . 1 49 49 LEU CD2 C 13 20.514 0.031 . 1 . . . . . 49 Leu CD2 . 50015 1 616 . 1 . 1 49 49 LEU N N 15 128.902 0.019 . 1 . . . . . 49 Leu N . 50015 1 617 . 1 . 1 50 50 THR H H 1 7.766 0.004 . 1 . . . . . 50 Thr H . 50015 1 618 . 1 . 1 50 50 THR HA H 1 4.616 0.005 . 1 . . . . . 50 Thr HA . 50015 1 619 . 1 . 1 50 50 THR HB H 1 4.252 0.002 . 1 . . . . . 50 Thr HB . 50015 1 620 . 1 . 1 50 50 THR HG21 H 1 1.154 0.007 . 1 . . . . . 50 Thr HG21 . 50015 1 621 . 1 . 1 50 50 THR HG22 H 1 1.154 0.007 . 1 . . . . . 50 Thr HG22 . 50015 1 622 . 1 . 1 50 50 THR HG23 H 1 1.154 0.007 . 1 . . . . . 50 Thr HG23 . 50015 1 623 . 1 . 1 50 50 THR C C 13 173.799 0.000 . 1 . . . . . 50 Thr C . 50015 1 624 . 1 . 1 50 50 THR CA C 13 59.585 0.002 . 1 . . . . . 50 Thr CA . 50015 1 625 . 1 . 1 50 50 THR CB C 13 71.593 0.060 . 1 . . . . . 50 Thr CB . 50015 1 626 . 1 . 1 50 50 THR CG2 C 13 21.174 0.040 . 1 . . . . . 50 Thr CG2 . 50015 1 627 . 1 . 1 50 50 THR N N 15 112.015 0.032 . 1 . . . . . 50 Thr N . 50015 1 628 . 1 . 1 51 51 GLU H H 1 8.487 0.005 . 1 . . . . . 51 Glu H . 50015 1 629 . 1 . 1 51 51 GLU HA H 1 4.435 0.007 . 1 . . . . . 51 Glu HA . 50015 1 630 . 1 . 1 51 51 GLU HB2 H 1 2.075 0.007 . 1 . . . . . 51 Glu HB2 . 50015 1 631 . 1 . 1 51 51 GLU HB3 H 1 2.415 0.002 . 1 . . . . . 51 Glu HB3 . 50015 1 632 . 1 . 1 51 51 GLU HG2 H 1 2.497 0.004 . 1 . . . . . 51 Glu HG2 . 50015 1 633 . 1 . 1 51 51 GLU HG3 H 1 2.408 0.002 . 1 . . . . . 51 Glu HG3 . 50015 1 634 . 1 . 1 51 51 GLU C C 13 177.041 0.000 . 1 . . . . . 51 Glu C . 50015 1 635 . 1 . 1 51 51 GLU CA C 13 57.551 0.003 . 1 . . . . . 51 Glu CA . 50015 1 636 . 1 . 1 51 51 GLU CB C 13 29.652 0.029 . 1 . . . . . 51 Glu CB . 50015 1 637 . 1 . 1 51 51 GLU CG C 13 34.755 0.026 . 1 . . . . . 51 Glu CG . 50015 1 638 . 1 . 1 51 51 GLU N N 15 123.671 0.027 . 1 . . . . . 51 Glu N . 50015 1 639 . 1 . 1 52 52 SER H H 1 9.710 0.003 . 1 . . . . . 52 Ser H . 50015 1 640 . 1 . 1 52 52 SER HA H 1 4.896 0.008 . 1 . . . . . 52 Ser HA . 50015 1 641 . 1 . 1 52 52 SER HB2 H 1 4.346 0.008 . 1 . . . . . 52 Ser HB2 . 50015 1 642 . 1 . 1 52 52 SER HB3 H 1 4.346 0.008 . 1 . . . . . 52 Ser HB3 . 50015 1 643 . 1 . 1 52 52 SER C C 13 173.818 0.000 . 1 . . . . . 52 Ser C . 50015 1 644 . 1 . 1 52 52 SER CA C 13 57.347 0.000 . 1 . . . . . 52 Ser CA . 50015 1 645 . 1 . 1 52 52 SER CB C 13 64.382 0.743 . 1 . . . . . 52 Ser CB . 50015 1 646 . 1 . 1 52 52 SER N N 15 123.546 0.017 . 1 . . . . . 52 Ser N . 50015 1 647 . 1 . 1 53 53 GLN H H 1 8.577 0.011 . 1 . . . . . 53 Gln H . 50015 1 648 . 1 . 1 53 53 GLN HA H 1 4.197 0.001 . 1 . . . . . 53 Gln HA . 50015 1 649 . 1 . 1 53 53 GLN HB2 H 1 2.049 0.004 . 1 . . . . . 53 Gln HB2 . 50015 1 650 . 1 . 1 53 53 GLN HB3 H 1 2.049 0.004 . 1 . . . . . 53 Gln HB3 . 50015 1 651 . 1 . 1 53 53 GLN HG2 H 1 2.411 0.009 . 1 . . . . . 53 Gln HG2 . 50015 1 652 . 1 . 1 53 53 GLN HG3 H 1 2.411 0.009 . 1 . . . . . 53 Gln HG3 . 50015 1 653 . 1 . 1 53 53 GLN HE21 H 1 7.559 0.001 . 1 . . . . . 53 Gln HE21 . 50015 1 654 . 1 . 1 53 53 GLN HE22 H 1 6.853 0.001 . 1 . . . . . 53 Gln HE22 . 50015 1 655 . 1 . 1 53 53 GLN C C 13 177.140 0.000 . 1 . . . . . 53 Gln C . 50015 1 656 . 1 . 1 53 53 GLN CA C 13 57.847 0.030 . 1 . . . . . 53 Gln CA . 50015 1 657 . 1 . 1 53 53 GLN CB C 13 27.878 0.042 . 1 . . . . . 53 Gln CB . 50015 1 658 . 1 . 1 53 53 GLN CG C 13 33.797 0.000 . 1 . . . . . 53 Gln CG . 50015 1 659 . 1 . 1 53 53 GLN N N 15 116.345 0.029 . 1 . . . . . 53 Gln N . 50015 1 660 . 1 . 1 53 53 GLN NE2 N 15 112.521 0.037 . 1 . . . . . 53 Gln NE2 . 50015 1 661 . 1 . 1 54 54 LYS H H 1 7.963 0.002 . 1 . . . . . 54 Lys H . 50015 1 662 . 1 . 1 54 54 LYS HA H 1 4.056 0.006 . 1 . . . . . 54 Lys HA . 50015 1 663 . 1 . 1 54 54 LYS HB2 H 1 1.484 0.006 . 1 . . . . . 54 Lys HB2 . 50015 1 664 . 1 . 1 54 54 LYS HB3 H 1 1.245 0.008 . 1 . . . . . 54 Lys HB3 . 50015 1 665 . 1 . 1 54 54 LYS HG2 H 1 0.748 0.005 . 1 . . . . . 54 Lys HG2 . 50015 1 666 . 1 . 1 54 54 LYS HG3 H 1 0.343 0.010 . 1 . . . . . 54 Lys HG3 . 50015 1 667 . 1 . 1 54 54 LYS HD2 H 1 1.745 0.005 . 1 . . . . . 54 Lys HD2 . 50015 1 668 . 1 . 1 54 54 LYS HD3 H 1 1.389 0.003 . 1 . . . . . 54 Lys HD3 . 50015 1 669 . 1 . 1 54 54 LYS HE2 H 1 2.948 0.005 . 1 . . . . . 54 Lys HE2 . 50015 1 670 . 1 . 1 54 54 LYS HE3 H 1 2.537 0.005 . 1 . . . . . 54 Lys HE3 . 50015 1 671 . 1 . 1 54 54 LYS C C 13 173.751 0.000 . 1 . . . . . 54 Lys C . 50015 1 672 . 1 . 1 54 54 LYS CA C 13 56.445 0.023 . 1 . . . . . 54 Lys CA . 50015 1 673 . 1 . 1 54 54 LYS CB C 13 34.059 0.071 . 1 . . . . . 54 Lys CB . 50015 1 674 . 1 . 1 54 54 LYS CG C 13 23.614 0.047 . 1 . . . . . 54 Lys CG . 50015 1 675 . 1 . 1 54 54 LYS CD C 13 27.612 0.038 . 1 . . . . . 54 Lys CD . 50015 1 676 . 1 . 1 54 54 LYS CE C 13 42.611 0.048 . 1 . . . . . 54 Lys CE . 50015 1 677 . 1 . 1 54 54 LYS N N 15 119.289 0.019 . 1 . . . . . 54 Lys N . 50015 1 678 . 1 . 1 55 55 TYR H H 1 6.690 0.007 . 1 . . . . . 55 Tyr H . 50015 1 679 . 1 . 1 55 55 TYR HA H 1 5.230 0.006 . 1 . . . . . 55 Tyr HA . 50015 1 680 . 1 . 1 55 55 TYR HB2 H 1 2.921 0.008 . 1 . . . . . 55 Tyr HB2 . 50015 1 681 . 1 . 1 55 55 TYR HB3 H 1 2.365 0.007 . 1 . . . . . 55 Tyr HB3 . 50015 1 682 . 1 . 1 55 55 TYR HD1 H 1 7.166 0.006 . 1 . . . . . 55 Tyr HD1 . 50015 1 683 . 1 . 1 55 55 TYR HD2 H 1 7.166 0.006 . 1 . . . . . 55 Tyr HD2 . 50015 1 684 . 1 . 1 55 55 TYR HE1 H 1 6.821 0.006 . 1 . . . . . 55 Tyr HE1 . 50015 1 685 . 1 . 1 55 55 TYR HE2 H 1 6.821 0.006 . 1 . . . . . 55 Tyr HE2 . 50015 1 686 . 1 . 1 55 55 TYR C C 13 174.982 0.000 . 1 . . . . . 55 Tyr C . 50015 1 687 . 1 . 1 55 55 TYR CA C 13 54.614 0.043 . 1 . . . . . 55 Tyr CA . 50015 1 688 . 1 . 1 55 55 TYR CB C 13 40.361 0.042 . 1 . . . . . 55 Tyr CB . 50015 1 689 . 1 . 1 55 55 TYR CD1 C 13 134.961 0.045 . 1 . . . . . 55 Tyr CD1 . 50015 1 690 . 1 . 1 55 55 TYR CD2 C 13 134.961 0.045 . 1 . . . . . 55 Tyr CD2 . 50015 1 691 . 1 . 1 55 55 TYR CE1 C 13 118.450 0.051 . 1 . . . . . 55 Tyr CE1 . 50015 1 692 . 1 . 1 55 55 TYR CE2 C 13 118.450 0.051 . 1 . . . . . 55 Tyr CE2 . 50015 1 693 . 1 . 1 55 55 TYR N N 15 113.693 0.021 . 1 . . . . . 55 Tyr N . 50015 1 694 . 1 . 1 56 56 ASN H H 1 8.744 0.004 . 1 . . . . . 56 Asn H . 50015 1 695 . 1 . 1 56 56 ASN HA H 1 5.405 0.004 . 1 . . . . . 56 Asn HA . 50015 1 696 . 1 . 1 56 56 ASN HB2 H 1 2.836 0.005 . 1 . . . . . 56 Asn HB2 . 50015 1 697 . 1 . 1 56 56 ASN HB3 H 1 2.443 0.004 . 1 . . . . . 56 Asn HB3 . 50015 1 698 . 1 . 1 56 56 ASN HD21 H 1 7.721 0.003 . 1 . . . . . 56 Asn HD21 . 50015 1 699 . 1 . 1 56 56 ASN HD22 H 1 7.003 0.001 . 1 . . . . . 56 Asn HD22 . 50015 1 700 . 1 . 1 56 56 ASN C C 13 173.837 0.000 . 1 . . . . . 56 Asn C . 50015 1 701 . 1 . 1 56 56 ASN CA C 13 50.320 0.047 . 1 . . . . . 56 Asn CA . 50015 1 702 . 1 . 1 56 56 ASN CB C 13 42.822 0.041 . 1 . . . . . 56 Asn CB . 50015 1 703 . 1 . 1 56 56 ASN CG C 13 177.167 0.000 . 1 . . . . . 56 Asn CG . 50015 1 704 . 1 . 1 56 56 ASN N N 15 119.525 0.023 . 1 . . . . . 56 Asn N . 50015 1 705 . 1 . 1 56 56 ASN ND2 N 15 113.739 0.087 . 1 . . . . . 56 Asn ND2 . 50015 1 706 . 1 . 1 57 57 PHE H H 1 9.942 0.005 . 1 . . . . . 57 Phe H . 50015 1 707 . 1 . 1 57 57 PHE HA H 1 5.239 0.008 . 1 . . . . . 57 Phe HA . 50015 1 708 . 1 . 1 57 57 PHE HB2 H 1 3.386 0.003 . 1 . . . . . 57 Phe HB2 . 50015 1 709 . 1 . 1 57 57 PHE HB3 H 1 3.043 0.002 . 1 . . . . . 57 Phe HB3 . 50015 1 710 . 1 . 1 57 57 PHE HD1 H 1 7.209 0.005 . 1 . . . . . 57 Phe HD1 . 50015 1 711 . 1 . 1 57 57 PHE HD2 H 1 7.209 0.005 . 1 . . . . . 57 Phe HD2 . 50015 1 712 . 1 . 1 57 57 PHE HE1 H 1 6.775 0.010 . 1 . . . . . 57 Phe HE1 . 50015 1 713 . 1 . 1 57 57 PHE HE2 H 1 6.775 0.010 . 1 . . . . . 57 Phe HE2 . 50015 1 714 . 1 . 1 57 57 PHE HZ H 1 6.630 0.012 . 1 . . . . . 57 Phe HZ . 50015 1 715 . 1 . 1 57 57 PHE C C 13 175.831 0.000 . 1 . . . . . 57 Phe C . 50015 1 716 . 1 . 1 57 57 PHE CA C 13 56.633 0.050 . 1 . . . . . 57 Phe CA . 50015 1 717 . 1 . 1 57 57 PHE CB C 13 40.965 0.057 . 1 . . . . . 57 Phe CB . 50015 1 718 . 1 . 1 57 57 PHE CD1 C 13 134.668 0.018 . 1 . . . . . 57 Phe CD1 . 50015 1 719 . 1 . 1 57 57 PHE CD2 C 13 134.668 0.018 . 1 . . . . . 57 Phe CD2 . 50015 1 720 . 1 . 1 57 57 PHE CZ C 13 129.300 0.055 . 1 . . . . . 57 Phe CZ . 50015 1 721 . 1 . 1 57 57 PHE N N 15 125.392 0.036 . 1 . . . . . 57 Phe N . 50015 1 722 . 1 . 1 58 58 ARG H H 1 8.501 0.004 . 1 . . . . . 58 Arg H . 50015 1 723 . 1 . 1 58 58 ARG HA H 1 4.905 0.007 . 1 . . . . . 58 Arg HA . 50015 1 724 . 1 . 1 58 58 ARG HB2 H 1 1.765 0.003 . 1 . . . . . 58 Arg HB2 . 50015 1 725 . 1 . 1 58 58 ARG HB3 H 1 1.812 0.004 . 1 . . . . . 58 Arg HB3 . 50015 1 726 . 1 . 1 58 58 ARG HG2 H 1 1.511 0.005 . 1 . . . . . 58 Arg HG2 . 50015 1 727 . 1 . 1 58 58 ARG HG3 H 1 1.454 0.005 . 1 . . . . . 58 Arg HG3 . 50015 1 728 . 1 . 1 58 58 ARG HD2 H 1 2.954 0.008 . 1 . . . . . 58 Arg HD2 . 50015 1 729 . 1 . 1 58 58 ARG HD3 H 1 3.072 0.002 . 1 . . . . . 58 Arg HD3 . 50015 1 730 . 1 . 1 58 58 ARG CA C 13 55.211 0.000 . 1 . . . . . 58 Arg CA . 50015 1 731 . 1 . 1 58 58 ARG CB C 13 33.839 0.027 . 1 . . . . . 58 Arg CB . 50015 1 732 . 1 . 1 58 58 ARG CG C 13 27.241 0.027 . 1 . . . . . 58 Arg CG . 50015 1 733 . 1 . 1 58 58 ARG CD C 13 42.991 0.041 . 1 . . . . . 58 Arg CD . 50015 1 734 . 1 . 1 58 58 ARG N N 15 120.283 0.031 . 1 . . . . . 58 Arg N . 50015 1 735 . 1 . 1 59 59 ASN HA H 1 5.440 0.004 . 1 . . . . . 59 Asn HA . 50015 1 736 . 1 . 1 59 59 ASN HB2 H 1 2.701 0.007 . 1 . . . . . 59 Asn HB2 . 50015 1 737 . 1 . 1 59 59 ASN HB3 H 1 2.822 0.002 . 1 . . . . . 59 Asn HB3 . 50015 1 738 . 1 . 1 59 59 ASN C C 13 173.090 0.000 . 1 . . . . . 59 Asn C . 50015 1 739 . 1 . 1 59 59 ASN CA C 13 52.532 0.050 . 1 . . . . . 59 Asn CA . 50015 1 740 . 1 . 1 59 59 ASN CB C 13 41.814 0.062 . 1 . . . . . 59 Asn CB . 50015 1 741 . 1 . 1 60 60 ASP H H 1 8.818 0.005 . 1 . . . . . 60 Asp H . 50015 1 742 . 1 . 1 60 60 ASP HA H 1 4.852 0.008 . 1 . . . . . 60 Asp HA . 50015 1 743 . 1 . 1 60 60 ASP HB2 H 1 2.865 0.006 . 1 . . . . . 60 Asp HB2 . 50015 1 744 . 1 . 1 60 60 ASP HB3 H 1 2.557 0.010 . 1 . . . . . 60 Asp HB3 . 50015 1 745 . 1 . 1 60 60 ASP C C 13 176.356 0.000 . 1 . . . . . 60 Asp C . 50015 1 746 . 1 . 1 60 60 ASP CA C 13 52.767 0.007 . 1 . . . . . 60 Asp CA . 50015 1 747 . 1 . 1 60 60 ASP CB C 13 42.019 0.074 . 1 . . . . . 60 Asp CB . 50015 1 748 . 1 . 1 60 60 ASP N N 15 123.912 0.023 . 1 . . . . . 60 Asp N . 50015 1 749 . 1 . 1 61 61 GLY H H 1 9.033 0.009 . 1 . . . . . 61 Gly H . 50015 1 750 . 1 . 1 61 61 GLY HA2 H 1 3.753 0.003 . 1 . . . . . 61 Gly HA2 . 50015 1 751 . 1 . 1 61 61 GLY HA3 H 1 4.063 0.003 . 1 . . . . . 61 Gly HA3 . 50015 1 752 . 1 . 1 61 61 GLY C C 13 175.637 0.000 . 1 . . . . . 61 Gly C . 50015 1 753 . 1 . 1 61 61 GLY CA C 13 47.269 0.028 . 1 . . . . . 61 Gly CA . 50015 1 754 . 1 . 1 61 61 GLY N N 15 116.049 0.034 . 1 . . . . . 61 Gly N . 50015 1 755 . 1 . 1 62 62 ARG H H 1 9.085 0.002 . 1 . . . . . 62 Arg H . 50015 1 756 . 1 . 1 62 62 ARG HA H 1 4.349 0.006 . 1 . . . . . 62 Arg HA . 50015 1 757 . 1 . 1 62 62 ARG HB2 H 1 1.737 0.013 . 1 . . . . . 62 Arg HB2 . 50015 1 758 . 1 . 1 62 62 ARG HB3 H 1 2.635 0.007 . 1 . . . . . 62 Arg HB3 . 50015 1 759 . 1 . 1 62 62 ARG HG2 H 1 1.309 0.012 . 1 . . . . . 62 Arg HG2 . 50015 1 760 . 1 . 1 62 62 ARG HG3 H 1 1.829 0.008 . 1 . . . . . 62 Arg HG3 . 50015 1 761 . 1 . 1 62 62 ARG HD2 H 1 3.083 0.005 . 1 . . . . . 62 Arg HD2 . 50015 1 762 . 1 . 1 62 62 ARG HD3 H 1 3.163 0.004 . 1 . . . . . 62 Arg HD3 . 50015 1 763 . 1 . 1 62 62 ARG C C 13 175.994 0.000 . 1 . . . . . 62 Arg C . 50015 1 764 . 1 . 1 62 62 ARG CA C 13 57.074 0.035 . 1 . . . . . 62 Arg CA . 50015 1 765 . 1 . 1 62 62 ARG CB C 13 30.268 0.109 . 1 . . . . . 62 Arg CB . 50015 1 766 . 1 . 1 62 62 ARG CG C 13 28.326 0.054 . 1 . . . . . 62 Arg CG . 50015 1 767 . 1 . 1 62 62 ARG CD C 13 43.203 0.005 . 1 . . . . . 62 Arg CD . 50015 1 768 . 1 . 1 62 62 ARG N N 15 127.211 0.023 . 1 . . . . . 62 Arg N . 50015 1 769 . 1 . 1 63 63 CYS H H 1 8.083 0.003 . 1 . . . . . 63 Cys H . 50015 1 770 . 1 . 1 63 63 CYS HA H 1 5.124 0.012 . 1 . . . . . 63 Cys HA . 50015 1 771 . 1 . 1 63 63 CYS HB2 H 1 3.224 0.004 . 1 . . . . . 63 Cys HB2 . 50015 1 772 . 1 . 1 63 63 CYS HB3 H 1 2.807 0.002 . 1 . . . . . 63 Cys HB3 . 50015 1 773 . 1 . 1 63 63 CYS CA C 13 58.299 0.020 . 1 . . . . . 63 Cys CA . 50015 1 774 . 1 . 1 63 63 CYS CB C 13 28.691 0.065 . 1 . . . . . 63 Cys CB . 50015 1 775 . 1 . 1 63 63 CYS N N 15 118.921 0.031 . 1 . . . . . 63 Cys N . 50015 1 776 . 1 . 1 64 64 HIS H H 1 8.605 0.005 . 1 . . . . . 64 His H . 50015 1 777 . 1 . 1 64 64 HIS HA H 1 5.162 0.009 . 1 . . . . . 64 His HA . 50015 1 778 . 1 . 1 64 64 HIS HB2 H 1 2.820 0.006 . 1 . . . . . 64 His HB2 . 50015 1 779 . 1 . 1 64 64 HIS HB3 H 1 3.040 0.002 . 1 . . . . . 64 His HB3 . 50015 1 780 . 1 . 1 64 64 HIS HD2 H 1 6.861 0.005 . 1 . . . . . 64 His HD2 . 50015 1 781 . 1 . 1 64 64 HIS HE1 H 1 8.245 0.008 . 1 . . . . . 64 His HE1 . 50015 1 782 . 1 . 1 64 64 HIS C C 13 173.515 0.000 . 1 . . . . . 64 His C . 50015 1 783 . 1 . 1 64 64 HIS CE1 C 13 138.409 0.027 . 1 . . . . . 64 His CE1 . 50015 1 784 . 1 . 1 64 64 HIS N N 15 122.347 0.028 . 1 . . . . . 64 His N . 50015 1 785 . 1 . 1 65 65 TYR H H 1 9.199 0.004 . 1 . . . . . 65 Tyr H . 50015 1 786 . 1 . 1 65 65 TYR HA H 1 5.746 0.003 . 1 . . . . . 65 Tyr HA . 50015 1 787 . 1 . 1 65 65 TYR HB2 H 1 2.887 0.005 . 1 . . . . . 65 Tyr HB2 . 50015 1 788 . 1 . 1 65 65 TYR HB3 H 1 2.800 0.009 . 1 . . . . . 65 Tyr HB3 . 50015 1 789 . 1 . 1 65 65 TYR HD1 H 1 6.928 0.009 . 1 . . . . . 65 Tyr HD1 . 50015 1 790 . 1 . 1 65 65 TYR HD2 H 1 6.928 0.009 . 1 . . . . . 65 Tyr HD2 . 50015 1 791 . 1 . 1 65 65 TYR HE1 H 1 6.635 0.005 . 1 . . . . . 65 Tyr HE1 . 50015 1 792 . 1 . 1 65 65 TYR HE2 H 1 6.635 0.005 . 1 . . . . . 65 Tyr HE2 . 50015 1 793 . 1 . 1 65 65 TYR C C 13 176.163 0.000 . 1 . . . . . 65 Tyr C . 50015 1 794 . 1 . 1 65 65 TYR CA C 13 56.176 0.050 . 1 . . . . . 65 Tyr CA . 50015 1 795 . 1 . 1 65 65 TYR CB C 13 42.361 0.000 . 1 . . . . . 65 Tyr CB . 50015 1 796 . 1 . 1 65 65 TYR CD1 C 13 134.470 0.051 . 1 . . . . . 65 Tyr CD1 . 50015 1 797 . 1 . 1 65 65 TYR CD2 C 13 134.470 0.051 . 1 . . . . . 65 Tyr CD2 . 50015 1 798 . 1 . 1 65 65 TYR CE1 C 13 119.003 0.038 . 1 . . . . . 65 Tyr CE1 . 50015 1 799 . 1 . 1 65 65 TYR CE2 C 13 119.003 0.038 . 1 . . . . . 65 Tyr CE2 . 50015 1 800 . 1 . 1 65 65 TYR N N 15 119.368 0.016 . 1 . . . . . 65 Tyr N . 50015 1 801 . 1 . 1 66 66 MET H H 1 8.277 0.004 . 1 . . . . . 66 Met H . 50015 1 802 . 1 . 1 66 66 MET HA H 1 4.441 0.008 . 1 . . . . . 66 Met HA . 50015 1 803 . 1 . 1 66 66 MET HB2 H 1 0.522 0.003 . 1 . . . . . 66 Met HB2 . 50015 1 804 . 1 . 1 66 66 MET HB3 H 1 -0.277 0.005 . 1 . . . . . 66 Met HB3 . 50015 1 805 . 1 . 1 66 66 MET HG2 H 1 1.468 0.005 . 1 . . . . . 66 Met HG2 . 50015 1 806 . 1 . 1 66 66 MET HG3 H 1 1.151 0.005 . 1 . . . . . 66 Met HG3 . 50015 1 807 . 1 . 1 66 66 MET HE1 H 1 1.640 0.002 . 1 . . . . . 66 Met HE1 . 50015 1 808 . 1 . 1 66 66 MET HE2 H 1 1.640 0.002 . 1 . . . . . 66 Met HE2 . 50015 1 809 . 1 . 1 66 66 MET HE3 H 1 1.640 0.002 . 1 . . . . . 66 Met HE3 . 50015 1 810 . 1 . 1 66 66 MET C C 13 174.225 0.000 . 1 . . . . . 66 Met C . 50015 1 811 . 1 . 1 66 66 MET CA C 13 54.782 0.063 . 1 . . . . . 66 Met CA . 50015 1 812 . 1 . 1 66 66 MET CB C 13 32.507 0.048 . 1 . . . . . 66 Met CB . 50015 1 813 . 1 . 1 66 66 MET CG C 13 31.419 0.058 . 1 . . . . . 66 Met CG . 50015 1 814 . 1 . 1 66 66 MET CE C 13 17.362 0.063 . 1 . . . . . 66 Met CE . 50015 1 815 . 1 . 1 66 66 MET N N 15 123.107 0.022 . 1 . . . . . 66 Met N . 50015 1 816 . 1 . 1 67 67 THR H H 1 8.918 0.004 . 1 . . . . . 67 Thr H . 50015 1 817 . 1 . 1 67 67 THR HA H 1 5.114 0.008 . 1 . . . . . 67 Thr HA . 50015 1 818 . 1 . 1 67 67 THR HB H 1 3.381 0.009 . 1 . . . . . 67 Thr HB . 50015 1 819 . 1 . 1 67 67 THR HG21 H 1 0.472 0.004 . 1 . . . . . 67 Thr HG21 . 50015 1 820 . 1 . 1 67 67 THR HG22 H 1 0.472 0.004 . 1 . . . . . 67 Thr HG22 . 50015 1 821 . 1 . 1 67 67 THR HG23 H 1 0.472 0.004 . 1 . . . . . 67 Thr HG23 . 50015 1 822 . 1 . 1 67 67 THR C C 13 172.393 0.000 . 1 . . . . . 67 Thr C . 50015 1 823 . 1 . 1 67 67 THR CA C 13 60.802 0.009 . 1 . . . . . 67 Thr CA . 50015 1 824 . 1 . 1 67 67 THR CB C 13 70.856 0.031 . 1 . . . . . 67 Thr CB . 50015 1 825 . 1 . 1 67 67 THR CG2 C 13 20.962 0.047 . 1 . . . . . 67 Thr CG2 . 50015 1 826 . 1 . 1 67 67 THR N N 15 124.650 0.028 . 1 . . . . . 67 Thr N . 50015 1 827 . 1 . 1 68 68 ILE H H 1 9.132 0.002 . 1 . . . . . 68 Ile H . 50015 1 828 . 1 . 1 68 68 ILE HA H 1 4.462 0.007 . 1 . . . . . 68 Ile HA . 50015 1 829 . 1 . 1 68 68 ILE HB H 1 1.485 0.006 . 1 . . . . . 68 Ile HB . 50015 1 830 . 1 . 1 68 68 ILE HG12 H 1 1.016 0.007 . 1 . . . . . 68 Ile HG12 . 50015 1 831 . 1 . 1 68 68 ILE HG13 H 1 1.504 0.003 . 1 . . . . . 68 Ile HG13 . 50015 1 832 . 1 . 1 68 68 ILE HG21 H 1 0.721 0.003 . 1 . . . . . 68 Ile HG21 . 50015 1 833 . 1 . 1 68 68 ILE HG22 H 1 0.721 0.003 . 1 . . . . . 68 Ile HG22 . 50015 1 834 . 1 . 1 68 68 ILE HG23 H 1 0.721 0.003 . 1 . . . . . 68 Ile HG23 . 50015 1 835 . 1 . 1 68 68 ILE HD11 H 1 0.669 0.008 . 1 . . . . . 68 Ile HD11 . 50015 1 836 . 1 . 1 68 68 ILE HD12 H 1 0.669 0.008 . 1 . . . . . 68 Ile HD12 . 50015 1 837 . 1 . 1 68 68 ILE HD13 H 1 0.669 0.008 . 1 . . . . . 68 Ile HD13 . 50015 1 838 . 1 . 1 68 68 ILE C C 13 175.458 0.000 . 1 . . . . . 68 Ile C . 50015 1 839 . 1 . 1 68 68 ILE CA C 13 59.447 0.004 . 1 . . . . . 68 Ile CA . 50015 1 840 . 1 . 1 68 68 ILE CB C 13 40.026 0.046 . 1 . . . . . 68 Ile CB . 50015 1 841 . 1 . 1 68 68 ILE CG1 C 13 26.973 0.031 . 1 . . . . . 68 Ile CG1 . 50015 1 842 . 1 . 1 68 68 ILE CG2 C 13 17.652 0.025 . 1 . . . . . 68 Ile CG2 . 50015 1 843 . 1 . 1 68 68 ILE CD1 C 13 15.062 0.031 . 1 . . . . . 68 Ile CD1 . 50015 1 844 . 1 . 1 68 68 ILE N N 15 126.598 0.028 . 1 . . . . . 68 Ile N . 50015 1 845 . 1 . 1 69 69 HIS H H 1 8.584 0.003 . 1 . . . . . 69 His H . 50015 1 846 . 1 . 1 69 69 HIS HA H 1 4.633 0.008 . 1 . . . . . 69 His HA . 50015 1 847 . 1 . 1 69 69 HIS HB2 H 1 2.870 0.002 . 1 . . . . . 69 His HB2 . 50015 1 848 . 1 . 1 69 69 HIS HB3 H 1 2.831 0.006 . 1 . . . . . 69 His HB3 . 50015 1 849 . 1 . 1 69 69 HIS HD2 H 1 6.639 0.008 . 1 . . . . . 69 His HD2 . 50015 1 850 . 1 . 1 69 69 HIS HE1 H 1 7.677 0.008 . 1 . . . . . 69 His HE1 . 50015 1 851 . 1 . 1 69 69 HIS C C 13 175.395 0.000 . 1 . . . . . 69 His C . 50015 1 852 . 1 . 1 69 69 HIS CA C 13 55.528 0.010 . 1 . . . . . 69 His CA . 50015 1 853 . 1 . 1 69 69 HIS CB C 13 32.375 0.054 . 1 . . . . . 69 His CB . 50015 1 854 . 1 . 1 69 69 HIS CD2 C 13 120.127 0.135 . 1 . . . . . 69 His CD2 . 50015 1 855 . 1 . 1 69 69 HIS CE1 C 13 139.402 0.024 . 1 . . . . . 69 His CE1 . 50015 1 856 . 1 . 1 69 69 HIS N N 15 124.554 0.031 . 1 . . . . . 69 His N . 50015 1 857 . 1 . 1 70 70 ASN H H 1 8.718 0.008 . 1 . . . . . 70 Asn H . 50015 1 858 . 1 . 1 70 70 ASN HA H 1 3.976 0.009 . 1 . . . . . 70 Asn HA . 50015 1 859 . 1 . 1 70 70 ASN HB2 H 1 2.381 0.003 . 1 . . . . . 70 Asn HB2 . 50015 1 860 . 1 . 1 70 70 ASN HB3 H 1 2.975 0.006 . 1 . . . . . 70 Asn HB3 . 50015 1 861 . 1 . 1 70 70 ASN HD21 H 1 7.591 0.001 . 1 . . . . . 70 Asn HD21 . 50015 1 862 . 1 . 1 70 70 ASN HD22 H 1 7.022 0.001 . 1 . . . . . 70 Asn HD22 . 50015 1 863 . 1 . 1 70 70 ASN C C 13 173.525 0.000 . 1 . . . . . 70 Asn C . 50015 1 864 . 1 . 1 70 70 ASN CA C 13 53.115 0.043 . 1 . . . . . 70 Asn CA . 50015 1 865 . 1 . 1 70 70 ASN CB C 13 36.865 0.044 . 1 . . . . . 70 Asn CB . 50015 1 866 . 1 . 1 70 70 ASN CG C 13 178.630 0.000 . 1 . . . . . 70 Asn CG . 50015 1 867 . 1 . 1 70 70 ASN N N 15 118.089 0.025 . 1 . . . . . 70 Asn N . 50015 1 868 . 1 . 1 70 70 ASN ND2 N 15 112.732 0.005 . 1 . . . . . 70 Asn ND2 . 50015 1 869 . 1 . 1 71 71 VAL H H 1 8.138 0.004 . 1 . . . . . 71 Val H . 50015 1 870 . 1 . 1 71 71 VAL HA H 1 3.942 0.011 . 1 . . . . . 71 Val HA . 50015 1 871 . 1 . 1 71 71 VAL HB H 1 1.880 0.003 . 1 . . . . . 71 Val HB . 50015 1 872 . 1 . 1 71 71 VAL HG11 H 1 0.723 0.003 . 1 . . . . . 71 Val HG11 . 50015 1 873 . 1 . 1 71 71 VAL HG12 H 1 0.723 0.003 . 1 . . . . . 71 Val HG12 . 50015 1 874 . 1 . 1 71 71 VAL HG13 H 1 0.723 0.003 . 1 . . . . . 71 Val HG13 . 50015 1 875 . 1 . 1 71 71 VAL HG21 H 1 0.844 0.004 . 1 . . . . . 71 Val HG21 . 50015 1 876 . 1 . 1 71 71 VAL HG22 H 1 0.844 0.004 . 1 . . . . . 71 Val HG22 . 50015 1 877 . 1 . 1 71 71 VAL HG23 H 1 0.844 0.004 . 1 . . . . . 71 Val HG23 . 50015 1 878 . 1 . 1 71 71 VAL C C 13 176.927 0.000 . 1 . . . . . 71 Val C . 50015 1 879 . 1 . 1 71 71 VAL CA C 13 64.587 0.013 . 1 . . . . . 71 Val CA . 50015 1 880 . 1 . 1 71 71 VAL CB C 13 31.193 0.021 . 1 . . . . . 71 Val CB . 50015 1 881 . 1 . 1 71 71 VAL CG1 C 13 21.672 0.053 . 1 . . . . . 71 Val CG1 . 50015 1 882 . 1 . 1 71 71 VAL CG2 C 13 23.590 0.023 . 1 . . . . . 71 Val CG2 . 50015 1 883 . 1 . 1 71 71 VAL N N 15 118.172 0.020 . 1 . . . . . 71 Val N . 50015 1 884 . 1 . 1 72 72 THR H H 1 9.323 0.004 . 1 . . . . . 72 Thr H . 50015 1 885 . 1 . 1 72 72 THR HA H 1 4.873 0.011 . 1 . . . . . 72 Thr HA . 50015 1 886 . 1 . 1 72 72 THR HB H 1 3.947 0.004 . 1 . . . . . 72 Thr HB . 50015 1 887 . 1 . 1 72 72 THR HG21 H 1 1.259 0.002 . 1 . . . . . 72 Thr HG21 . 50015 1 888 . 1 . 1 72 72 THR HG22 H 1 1.259 0.002 . 1 . . . . . 72 Thr HG22 . 50015 1 889 . 1 . 1 72 72 THR HG23 H 1 1.259 0.002 . 1 . . . . . 72 Thr HG23 . 50015 1 890 . 1 . 1 72 72 THR CA C 13 59.011 0.000 . 1 . . . . . 72 Thr CA . 50015 1 891 . 1 . 1 72 72 THR CB C 13 69.942 0.000 . 1 . . . . . 72 Thr CB . 50015 1 892 . 1 . 1 72 72 THR CG2 C 13 21.138 0.055 . 1 . . . . . 72 Thr CG2 . 50015 1 893 . 1 . 1 72 72 THR N N 15 121.020 0.017 . 1 . . . . . 72 Thr N . 50015 1 894 . 1 . 1 73 73 PRO HA H 1 4.431 0.007 . 1 . . . . . 73 Pro HA . 50015 1 895 . 1 . 1 73 73 PRO HB2 H 1 1.893 0.006 . 1 . . . . . 73 Pro HB2 . 50015 1 896 . 1 . 1 73 73 PRO HB3 H 1 2.404 0.004 . 1 . . . . . 73 Pro HB3 . 50015 1 897 . 1 . 1 73 73 PRO HG2 H 1 1.963 0.004 . 1 . . . . . 73 Pro HG2 . 50015 1 898 . 1 . 1 73 73 PRO HG3 H 1 2.160 0.005 . 1 . . . . . 73 Pro HG3 . 50015 1 899 . 1 . 1 73 73 PRO HD2 H 1 3.797 0.005 . 1 . . . . . 73 Pro HD2 . 50015 1 900 . 1 . 1 73 73 PRO HD3 H 1 3.797 0.006 . 1 . . . . . 73 Pro HD3 . 50015 1 901 . 1 . 1 73 73 PRO C C 13 179.143 0.000 . 1 . . . . . 73 Pro C . 50015 1 902 . 1 . 1 73 73 PRO CA C 13 65.675 0.000 . 1 . . . . . 73 Pro CA . 50015 1 903 . 1 . 1 73 73 PRO CB C 13 31.344 0.038 . 1 . . . . . 73 Pro CB . 50015 1 904 . 1 . 1 73 73 PRO CG C 13 28.177 0.030 . 1 . . . . . 73 Pro CG . 50015 1 905 . 1 . 1 73 73 PRO CD C 13 50.812 0.034 . 1 . . . . . 73 Pro CD . 50015 1 906 . 1 . 1 74 74 ASP H H 1 7.778 0.003 . 1 . . . . . 74 Asp H . 50015 1 907 . 1 . 1 74 74 ASP HA H 1 4.469 0.004 . 1 . . . . . 74 Asp HA . 50015 1 908 . 1 . 1 74 74 ASP HB2 H 1 2.679 0.005 . 1 . . . . . 74 Asp HB2 . 50015 1 909 . 1 . 1 74 74 ASP HB3 H 1 2.452 0.005 . 1 . . . . . 74 Asp HB3 . 50015 1 910 . 1 . 1 74 74 ASP C C 13 176.961 0.000 . 1 . . . . . 74 Asp C . 50015 1 911 . 1 . 1 74 74 ASP CA C 13 55.906 0.046 . 1 . . . . . 74 Asp CA . 50015 1 912 . 1 . 1 74 74 ASP CB C 13 40.690 0.038 . 1 . . . . . 74 Asp CB . 50015 1 913 . 1 . 1 74 74 ASP N N 15 114.835 0.028 . 1 . . . . . 74 Asp N . 50015 1 914 . 1 . 1 75 75 ASP H H 1 8.396 0.004 . 1 . . . . . 75 Asp H . 50015 1 915 . 1 . 1 75 75 ASP HA H 1 4.674 0.009 . 1 . . . . . 75 Asp HA . 50015 1 916 . 1 . 1 75 75 ASP HB2 H 1 3.007 0.010 . 1 . . . . . 75 Asp HB2 . 50015 1 917 . 1 . 1 75 75 ASP HB3 H 1 2.724 0.006 . 1 . . . . . 75 Asp HB3 . 50015 1 918 . 1 . 1 75 75 ASP C C 13 177.614 0.000 . 1 . . . . . 75 Asp C . 50015 1 919 . 1 . 1 75 75 ASP CA C 13 55.035 0.021 . 1 . . . . . 75 Asp CA . 50015 1 920 . 1 . 1 75 75 ASP CB C 13 42.145 0.027 . 1 . . . . . 75 Asp CB . 50015 1 921 . 1 . 1 75 75 ASP N N 15 115.165 0.032 . 1 . . . . . 75 Asp N . 50015 1 922 . 1 . 1 76 76 GLU H H 1 7.531 0.002 . 1 . . . . . 76 Glu H . 50015 1 923 . 1 . 1 76 76 GLU HA H 1 4.185 0.011 . 1 . . . . . 76 Glu HA . 50015 1 924 . 1 . 1 76 76 GLU HB2 H 1 2.224 0.006 . 1 . . . . . 76 Glu HB2 . 50015 1 925 . 1 . 1 76 76 GLU HB3 H 1 2.222 0.004 . 1 . . . . . 76 Glu HB3 . 50015 1 926 . 1 . 1 76 76 GLU HG2 H 1 2.004 0.002 . 1 . . . . . 76 Glu HG2 . 50015 1 927 . 1 . 1 76 76 GLU HG3 H 1 2.549 0.007 . 1 . . . . . 76 Glu HG3 . 50015 1 928 . 1 . 1 76 76 GLU C C 13 176.244 0.000 . 1 . . . . . 76 Glu C . 50015 1 929 . 1 . 1 76 76 GLU CA C 13 57.807 0.071 . 1 . . . . . 76 Glu CA . 50015 1 930 . 1 . 1 76 76 GLU CB C 13 29.994 0.070 . 1 . . . . . 76 Glu CB . 50015 1 931 . 1 . 1 76 76 GLU CG C 13 37.100 0.022 . 1 . . . . . 76 Glu CG . 50015 1 932 . 1 . 1 76 76 GLU N N 15 120.813 0.027 . 1 . . . . . 76 Glu N . 50015 1 933 . 1 . 1 77 77 GLY H H 1 8.699 0.003 . 1 . . . . . 77 Gly H . 50015 1 934 . 1 . 1 77 77 GLY HA2 H 1 4.581 0.003 . 1 . . . . . 77 Gly HA2 . 50015 1 935 . 1 . 1 77 77 GLY HA3 H 1 4.017 0.009 . 1 . . . . . 77 Gly HA3 . 50015 1 936 . 1 . 1 77 77 GLY C C 13 172.087 0.000 . 1 . . . . . 77 Gly C . 50015 1 937 . 1 . 1 77 77 GLY CA C 13 43.957 0.019 . 1 . . . . . 77 Gly CA . 50015 1 938 . 1 . 1 77 77 GLY N N 15 109.268 0.028 . 1 . . . . . 77 Gly N . 50015 1 939 . 1 . 1 78 78 VAL H H 1 8.012 0.005 . 1 . . . . . 78 Val H . 50015 1 940 . 1 . 1 78 78 VAL HA H 1 4.526 0.006 . 1 . . . . . 78 Val HA . 50015 1 941 . 1 . 1 78 78 VAL HB H 1 1.867 0.002 . 1 . . . . . 78 Val HB . 50015 1 942 . 1 . 1 78 78 VAL HG11 H 1 0.872 0.006 . 1 . . . . . 78 Val HG11 . 50015 1 943 . 1 . 1 78 78 VAL HG12 H 1 0.872 0.006 . 1 . . . . . 78 Val HG12 . 50015 1 944 . 1 . 1 78 78 VAL HG13 H 1 0.872 0.006 . 1 . . . . . 78 Val HG13 . 50015 1 945 . 1 . 1 78 78 VAL HG21 H 1 0.962 0.006 . 1 . . . . . 78 Val HG21 . 50015 1 946 . 1 . 1 78 78 VAL HG22 H 1 0.962 0.006 . 1 . . . . . 78 Val HG22 . 50015 1 947 . 1 . 1 78 78 VAL HG23 H 1 0.962 0.006 . 1 . . . . . 78 Val HG23 . 50015 1 948 . 1 . 1 78 78 VAL C C 13 176.041 0.000 . 1 . . . . . 78 Val C . 50015 1 949 . 1 . 1 78 78 VAL CA C 13 62.534 0.018 . 1 . . . . . 78 Val CA . 50015 1 950 . 1 . 1 78 78 VAL CB C 13 32.803 0.103 . 1 . . . . . 78 Val CB . 50015 1 951 . 1 . 1 78 78 VAL CG1 C 13 21.216 0.050 . 1 . . . . . 78 Val CG1 . 50015 1 952 . 1 . 1 78 78 VAL CG2 C 13 21.385 0.038 . 1 . . . . . 78 Val CG2 . 50015 1 953 . 1 . 1 78 78 VAL N N 15 119.723 0.026 . 1 . . . . . 78 Val N . 50015 1 954 . 1 . 1 79 79 TYR H H 1 9.478 0.004 . 1 . . . . . 79 Tyr H . 50015 1 955 . 1 . 1 79 79 TYR HA H 1 5.233 0.008 . 1 . . . . . 79 Tyr HA . 50015 1 956 . 1 . 1 79 79 TYR HB2 H 1 2.291 0.006 . 1 . . . . . 79 Tyr HB2 . 50015 1 957 . 1 . 1 79 79 TYR HB3 H 1 2.661 0.003 . 1 . . . . . 79 Tyr HB3 . 50015 1 958 . 1 . 1 79 79 TYR HD1 H 1 7.209 0.009 . 1 . . . . . 79 Tyr HD1 . 50015 1 959 . 1 . 1 79 79 TYR HD2 H 1 7.209 0.009 . 1 . . . . . 79 Tyr HD2 . 50015 1 960 . 1 . 1 79 79 TYR HE1 H 1 6.848 0.007 . 1 . . . . . 79 Tyr HE1 . 50015 1 961 . 1 . 1 79 79 TYR HE2 H 1 6.848 0.007 . 1 . . . . . 79 Tyr HE2 . 50015 1 962 . 1 . 1 79 79 TYR C C 13 174.913 0.000 . 1 . . . . . 79 Tyr C . 50015 1 963 . 1 . 1 79 79 TYR CA C 13 56.629 0.026 . 1 . . . . . 79 Tyr CA . 50015 1 964 . 1 . 1 79 79 TYR CB C 13 41.539 0.059 . 1 . . . . . 79 Tyr CB . 50015 1 965 . 1 . 1 79 79 TYR CD1 C 13 134.446 0.002 . 1 . . . . . 79 Tyr CD1 . 50015 1 966 . 1 . 1 79 79 TYR CD2 C 13 134.446 0.002 . 1 . . . . . 79 Tyr CD2 . 50015 1 967 . 1 . 1 79 79 TYR CE1 C 13 117.663 0.042 . 1 . . . . . 79 Tyr CE1 . 50015 1 968 . 1 . 1 79 79 TYR CE2 C 13 117.663 0.042 . 1 . . . . . 79 Tyr CE2 . 50015 1 969 . 1 . 1 79 79 TYR N N 15 128.038 0.023 . 1 . . . . . 79 Tyr N . 50015 1 970 . 1 . 1 80 80 SER H H 1 9.142 0.002 . 1 . . . . . 80 Ser H . 50015 1 971 . 1 . 1 80 80 SER HA H 1 5.474 0.005 . 1 . . . . . 80 Ser HA . 50015 1 972 . 1 . 1 80 80 SER HB2 H 1 3.624 0.005 . 1 . . . . . 80 Ser HB2 . 50015 1 973 . 1 . 1 80 80 SER HB3 H 1 3.493 0.004 . 1 . . . . . 80 Ser HB3 . 50015 1 974 . 1 . 1 80 80 SER C C 13 185.243 0.000 . 1 . . . . . 80 Ser C . 50015 1 975 . 1 . 1 80 80 SER CA C 13 56.430 0.030 . 1 . . . . . 80 Ser CA . 50015 1 976 . 1 . 1 80 80 SER CB C 13 66.617 0.042 . 1 . . . . . 80 Ser CB . 50015 1 977 . 1 . 1 80 80 SER N N 15 112.417 0.030 . 1 . . . . . 80 Ser N . 50015 1 978 . 1 . 1 81 81 VAL H H 1 8.662 0.003 . 1 . . . . . 81 Val H . 50015 1 979 . 1 . 1 81 81 VAL HA H 1 4.896 0.002 . 1 . . . . . 81 Val HA . 50015 1 980 . 1 . 1 81 81 VAL HB H 1 0.640 0.005 . 1 . . . . . 81 Val HB . 50015 1 981 . 1 . 1 81 81 VAL HG11 H 1 0.250 0.007 . 1 . . . . . 81 Val HG11 . 50015 1 982 . 1 . 1 81 81 VAL HG12 H 1 0.250 0.007 . 1 . . . . . 81 Val HG12 . 50015 1 983 . 1 . 1 81 81 VAL HG13 H 1 0.250 0.007 . 1 . . . . . 81 Val HG13 . 50015 1 984 . 1 . 1 81 81 VAL HG21 H 1 -0.405 0.003 . 1 . . . . . 81 Val HG21 . 50015 1 985 . 1 . 1 81 81 VAL HG22 H 1 -0.405 0.003 . 1 . . . . . 81 Val HG22 . 50015 1 986 . 1 . 1 81 81 VAL HG23 H 1 -0.405 0.003 . 1 . . . . . 81 Val HG23 . 50015 1 987 . 1 . 1 81 81 VAL C C 13 173.199 0.000 . 1 . . . . . 81 Val C . 50015 1 988 . 1 . 1 81 81 VAL CA C 13 57.988 0.004 . 1 . . . . . 81 Val CA . 50015 1 989 . 1 . 1 81 81 VAL CB C 13 34.240 0.044 . 1 . . . . . 81 Val CB . 50015 1 990 . 1 . 1 81 81 VAL CG1 C 13 19.508 0.047 . 1 . . . . . 81 Val CG1 . 50015 1 991 . 1 . 1 81 81 VAL CG2 C 13 21.280 0.070 . 1 . . . . . 81 Val CG2 . 50015 1 992 . 1 . 1 81 81 VAL N N 15 120.623 0.030 . 1 . . . . . 81 Val N . 50015 1 993 . 1 . 1 82 82 ILE H H 1 8.847 0.006 . 1 . . . . . 82 Ile H . 50015 1 994 . 1 . 1 82 82 ILE HA H 1 5.084 0.011 . 1 . . . . . 82 Ile HA . 50015 1 995 . 1 . 1 82 82 ILE HB H 1 1.710 0.003 . 1 . . . . . 82 Ile HB . 50015 1 996 . 1 . 1 82 82 ILE HG12 H 1 0.811 0.003 . 1 . . . . . 82 Ile HG12 . 50015 1 997 . 1 . 1 82 82 ILE HG13 H 1 1.439 0.003 . 1 . . . . . 82 Ile HG13 . 50015 1 998 . 1 . 1 82 82 ILE HG21 H 1 0.716 0.005 . 1 . . . . . 82 Ile HG21 . 50015 1 999 . 1 . 1 82 82 ILE HG22 H 1 0.716 0.005 . 1 . . . . . 82 Ile HG22 . 50015 1 1000 . 1 . 1 82 82 ILE HG23 H 1 0.716 0.005 . 1 . . . . . 82 Ile HG23 . 50015 1 1001 . 1 . 1 82 82 ILE HD11 H 1 0.544 0.004 . 1 . . . . . 82 Ile HD11 . 50015 1 1002 . 1 . 1 82 82 ILE HD12 H 1 0.544 0.004 . 1 . . . . . 82 Ile HD12 . 50015 1 1003 . 1 . 1 82 82 ILE HD13 H 1 0.544 0.004 . 1 . . . . . 82 Ile HD13 . 50015 1 1004 . 1 . 1 82 82 ILE C C 13 175.055 0.000 . 1 . . . . . 82 Ile C . 50015 1 1005 . 1 . 1 82 82 ILE CA C 13 59.229 0.066 . 1 . . . . . 82 Ile CA . 50015 1 1006 . 1 . 1 82 82 ILE CB C 13 40.561 0.040 . 1 . . . . . 82 Ile CB . 50015 1 1007 . 1 . 1 82 82 ILE CG1 C 13 27.384 0.069 . 1 . . . . . 82 Ile CG1 . 50015 1 1008 . 1 . 1 82 82 ILE CG2 C 13 17.181 0.061 . 1 . . . . . 82 Ile CG2 . 50015 1 1009 . 1 . 1 82 82 ILE CD1 C 13 12.980 0.036 . 1 . . . . . 82 Ile CD1 . 50015 1 1010 . 1 . 1 82 82 ILE N N 15 125.732 0.027 . 1 . . . . . 82 Ile N . 50015 1 1011 . 1 . 1 83 83 ALA H H 1 8.994 0.006 . 1 . . . . . 83 Ala H . 50015 1 1012 . 1 . 1 83 83 ALA HA H 1 5.123 0.005 . 1 . . . . . 83 Ala HA . 50015 1 1013 . 1 . 1 83 83 ALA HB1 H 1 0.730 0.005 . 1 . . . . . 83 Ala HB1 . 50015 1 1014 . 1 . 1 83 83 ALA HB2 H 1 0.730 0.005 . 1 . . . . . 83 Ala HB2 . 50015 1 1015 . 1 . 1 83 83 ALA HB3 H 1 0.730 0.005 . 1 . . . . . 83 Ala HB3 . 50015 1 1016 . 1 . 1 83 83 ALA C C 13 175.389 0.000 . 1 . . . . . 83 Ala C . 50015 1 1017 . 1 . 1 83 83 ALA CA C 13 48.978 0.041 . 1 . . . . . 83 Ala CA . 50015 1 1018 . 1 . 1 83 83 ALA CB C 13 22.526 0.054 . 1 . . . . . 83 Ala CB . 50015 1 1019 . 1 . 1 83 83 ALA N N 15 128.394 0.022 . 1 . . . . . 83 Ala N . 50015 1 1020 . 1 . 1 84 84 ARG H H 1 8.891 0.003 . 1 . . . . . 84 Arg H . 50015 1 1021 . 1 . 1 84 84 ARG HA H 1 4.957 0.008 . 1 . . . . . 84 Arg HA . 50015 1 1022 . 1 . 1 84 84 ARG HB2 H 1 1.608 0.007 . 1 . . . . . 84 Arg HB2 . 50015 1 1023 . 1 . 1 84 84 ARG HB3 H 1 1.710 0.005 . 1 . . . . . 84 Arg HB3 . 50015 1 1024 . 1 . 1 84 84 ARG HG2 H 1 1.535 0.003 . 1 . . . . . 84 Arg HG2 . 50015 1 1025 . 1 . 1 84 84 ARG HG3 H 1 1.536 0.003 . 1 . . . . . 84 Arg HG3 . 50015 1 1026 . 1 . 1 84 84 ARG HD2 H 1 3.120 0.008 . 1 . . . . . 84 Arg HD2 . 50015 1 1027 . 1 . 1 84 84 ARG HD3 H 1 3.120 0.008 . 1 . . . . . 84 Arg HD3 . 50015 1 1028 . 1 . 1 84 84 ARG HE H 1 7.278 0.002 . 1 . . . . . 84 Arg HE . 50015 1 1029 . 1 . 1 84 84 ARG C C 13 174.866 0.000 . 1 . . . . . 84 Arg C . 50015 1 1030 . 1 . 1 84 84 ARG CA C 13 54.537 0.000 . 1 . . . . . 84 Arg CA . 50015 1 1031 . 1 . 1 84 84 ARG CB C 13 34.073 0.057 . 1 . . . . . 84 Arg CB . 50015 1 1032 . 1 . 1 84 84 ARG CG C 13 28.016 0.053 . 1 . . . . . 84 Arg CG . 50015 1 1033 . 1 . 1 84 84 ARG CD C 13 43.180 0.010 . 1 . . . . . 84 Arg CD . 50015 1 1034 . 1 . 1 84 84 ARG N N 15 120.528 0.041 . 1 . . . . . 84 Arg N . 50015 1 1035 . 1 . 1 84 84 ARG NE N 15 85.526 0.036 . 1 . . . . . 84 Arg NE . 50015 1 1036 . 1 . 1 85 85 LEU H H 1 7.931 0.004 . 1 . . . . . 85 Leu H . 50015 1 1037 . 1 . 1 85 85 LEU HA H 1 4.508 0.003 . 1 . . . . . 85 Leu HA . 50015 1 1038 . 1 . 1 85 85 LEU HB2 H 1 1.436 0.004 . 1 . . . . . 85 Leu HB2 . 50015 1 1039 . 1 . 1 85 85 LEU HB3 H 1 1.238 0.013 . 1 . . . . . 85 Leu HB3 . 50015 1 1040 . 1 . 1 85 85 LEU HD11 H 1 0.820 0.006 . 1 . . . . . 85 Leu HD11 . 50015 1 1041 . 1 . 1 85 85 LEU HD12 H 1 0.820 0.006 . 1 . . . . . 85 Leu HD12 . 50015 1 1042 . 1 . 1 85 85 LEU HD13 H 1 0.820 0.006 . 1 . . . . . 85 Leu HD13 . 50015 1 1043 . 1 . 1 85 85 LEU HD21 H 1 0.630 0.006 . 1 . . . . . 85 Leu HD21 . 50015 1 1044 . 1 . 1 85 85 LEU HD22 H 1 0.630 0.006 . 1 . . . . . 85 Leu HD22 . 50015 1 1045 . 1 . 1 85 85 LEU HD23 H 1 0.630 0.006 . 1 . . . . . 85 Leu HD23 . 50015 1 1046 . 1 . 1 85 85 LEU C C 13 174.917 0.000 . 1 . . . . . 85 Leu C . 50015 1 1047 . 1 . 1 85 85 LEU CA C 13 54.004 0.007 . 1 . . . . . 85 Leu CA . 50015 1 1048 . 1 . 1 85 85 LEU CB C 13 44.722 0.038 . 1 . . . . . 85 Leu CB . 50015 1 1049 . 1 . 1 85 85 LEU CD1 C 13 23.177 0.020 . 1 . . . . . 85 Leu CD1 . 50015 1 1050 . 1 . 1 85 85 LEU CD2 C 13 26.544 0.061 . 1 . . . . . 85 Leu CD2 . 50015 1 1051 . 1 . 1 85 85 LEU N N 15 123.143 0.019 . 1 . . . . . 85 Leu N . 50015 1 1052 . 1 . 1 86 86 GLU H H 1 9.045 0.005 . 1 . . . . . 86 Glu H . 50015 1 1053 . 1 . 1 86 86 GLU HA H 1 4.640 0.001 . 1 . . . . . 86 Glu HA . 50015 1 1054 . 1 . 1 86 86 GLU HB2 H 1 1.932 0.002 . 1 . . . . . 86 Glu HB2 . 50015 1 1055 . 1 . 1 86 86 GLU HB3 H 1 1.932 0.002 . 1 . . . . . 86 Glu HB3 . 50015 1 1056 . 1 . 1 86 86 GLU HG2 H 1 2.257 0.001 . 1 . . . . . 86 Glu HG2 . 50015 1 1057 . 1 . 1 86 86 GLU HG3 H 1 2.293 0.002 . 1 . . . . . 86 Glu HG3 . 50015 1 1058 . 1 . 1 86 86 GLU CA C 13 54.958 0.000 . 1 . . . . . 86 Glu CA . 50015 1 1059 . 1 . 1 86 86 GLU CB C 13 29.188 0.046 . 1 . . . . . 86 Glu CB . 50015 1 1060 . 1 . 1 86 86 GLU CG C 13 35.343 0.045 . 1 . . . . . 86 Glu CG . 50015 1 1061 . 1 . 1 86 86 GLU N N 15 128.318 0.025 . 1 . . . . . 86 Glu N . 50015 1 1062 . 1 . 1 87 87 PRO HA H 1 5.013 0.007 . 1 . . . . . 87 Pro HA . 50015 1 1063 . 1 . 1 87 87 PRO HB2 H 1 2.463 0.002 . 1 . . . . . 87 Pro HB2 . 50015 1 1064 . 1 . 1 87 87 PRO HB3 H 1 1.990 0.006 . 1 . . . . . 87 Pro HB3 . 50015 1 1065 . 1 . 1 87 87 PRO HG2 H 1 1.980 0.000 . 1 . . . . . 87 Pro HG2 . 50015 1 1066 . 1 . 1 87 87 PRO HG3 H 1 1.541 0.008 . 1 . . . . . 87 Pro HG3 . 50015 1 1067 . 1 . 1 87 87 PRO HD2 H 1 3.543 0.004 . 1 . . . . . 87 Pro HD2 . 50015 1 1068 . 1 . 1 87 87 PRO HD3 H 1 3.201 0.006 . 1 . . . . . 87 Pro HD3 . 50015 1 1069 . 1 . 1 87 87 PRO C C 13 175.567 0.000 . 1 . . . . . 87 Pro C . 50015 1 1070 . 1 . 1 87 87 PRO CA C 13 63.814 0.000 . 1 . . . . . 87 Pro CA . 50015 1 1071 . 1 . 1 87 87 PRO CB C 13 31.128 0.050 . 1 . . . . . 87 Pro CB . 50015 1 1072 . 1 . 1 87 87 PRO CG C 13 23.896 0.000 . 1 . . . . . 87 Pro CG . 50015 1 1073 . 1 . 1 87 87 PRO CD C 13 48.824 0.029 . 1 . . . . . 87 Pro CD . 50015 1 1074 . 1 . 1 88 88 ARG H H 1 9.064 0.005 . 1 . . . . . 88 Arg H . 50015 1 1075 . 1 . 1 88 88 ARG HA H 1 4.314 0.007 . 1 . . . . . 88 Arg HA . 50015 1 1076 . 1 . 1 88 88 ARG HB2 H 1 1.622 0.007 . 1 . . . . . 88 Arg HB2 . 50015 1 1077 . 1 . 1 88 88 ARG HB3 H 1 2.020 0.005 . 1 . . . . . 88 Arg HB3 . 50015 1 1078 . 1 . 1 88 88 ARG HG2 H 1 1.105 0.009 . 1 . . . . . 88 Arg HG2 . 50015 1 1079 . 1 . 1 88 88 ARG HG3 H 1 1.260 0.006 . 1 . . . . . 88 Arg HG3 . 50015 1 1080 . 1 . 1 88 88 ARG HD2 H 1 2.496 0.006 . 1 . . . . . 88 Arg HD2 . 50015 1 1081 . 1 . 1 88 88 ARG HD3 H 1 2.753 0.008 . 1 . . . . . 88 Arg HD3 . 50015 1 1082 . 1 . 1 88 88 ARG HE H 1 7.231 0.000 . 1 . . . . . 88 Arg HE . 50015 1 1083 . 1 . 1 88 88 ARG C C 13 176.123 0.000 . 1 . . . . . 88 Arg C . 50015 1 1084 . 1 . 1 88 88 ARG CA C 13 55.639 0.053 . 1 . . . . . 88 Arg CA . 50015 1 1085 . 1 . 1 88 88 ARG CB C 13 30.311 0.051 . 1 . . . . . 88 Arg CB . 50015 1 1086 . 1 . 1 88 88 ARG CG C 13 27.342 0.040 . 1 . . . . . 88 Arg CG . 50015 1 1087 . 1 . 1 88 88 ARG CD C 13 42.817 0.050 . 1 . . . . . 88 Arg CD . 50015 1 1088 . 1 . 1 88 88 ARG N N 15 122.443 0.035 . 1 . . . . . 88 Arg N . 50015 1 1089 . 1 . 1 88 88 ARG NE N 15 84.927 0.060 . 1 . . . . . 88 Arg NE . 50015 1 1090 . 1 . 1 89 89 GLY H H 1 8.146 0.002 . 1 . . . . . 89 Gly H . 50015 1 1091 . 1 . 1 89 89 GLY HA2 H 1 4.101 0.009 . 1 . . . . . 89 Gly HA2 . 50015 1 1092 . 1 . 1 89 89 GLY HA3 H 1 3.732 0.005 . 1 . . . . . 89 Gly HA3 . 50015 1 1093 . 1 . 1 89 89 GLY C C 13 172.665 0.000 . 1 . . . . . 89 Gly C . 50015 1 1094 . 1 . 1 89 89 GLY CA C 13 45.427 0.064 . 1 . . . . . 89 Gly CA . 50015 1 1095 . 1 . 1 89 89 GLY N N 15 108.223 0.022 . 1 . . . . . 89 Gly N . 50015 1 1096 . 1 . 1 90 90 GLU H H 1 8.150 0.001 . 1 . . . . . 90 Glu H . 50015 1 1097 . 1 . 1 90 90 GLU HA H 1 5.196 0.004 . 1 . . . . . 90 Glu HA . 50015 1 1098 . 1 . 1 90 90 GLU HB2 H 1 1.897 0.004 . 1 . . . . . 90 Glu HB2 . 50015 1 1099 . 1 . 1 90 90 GLU HB3 H 1 1.791 0.014 . 1 . . . . . 90 Glu HB3 . 50015 1 1100 . 1 . 1 90 90 GLU HG2 H 1 1.895 0.006 . 1 . . . . . 90 Glu HG2 . 50015 1 1101 . 1 . 1 90 90 GLU HG3 H 1 2.024 0.009 . 1 . . . . . 90 Glu HG3 . 50015 1 1102 . 1 . 1 90 90 GLU C C 13 174.615 0.000 . 1 . . . . . 90 Glu C . 50015 1 1103 . 1 . 1 90 90 GLU CA C 13 54.173 0.103 . 1 . . . . . 90 Glu CA . 50015 1 1104 . 1 . 1 90 90 GLU CB C 13 33.367 0.003 . 1 . . . . . 90 Glu CB . 50015 1 1105 . 1 . 1 90 90 GLU CG C 13 35.523 0.011 . 1 . . . . . 90 Glu CG . 50015 1 1106 . 1 . 1 90 90 GLU N N 15 119.551 0.022 . 1 . . . . . 90 Glu N . 50015 1 1107 . 1 . 1 91 91 ALA H H 1 8.788 0.003 . 1 . . . . . 91 Ala H . 50015 1 1108 . 1 . 1 91 91 ALA HA H 1 4.841 0.001 . 1 . . . . . 91 Ala HA . 50015 1 1109 . 1 . 1 91 91 ALA HB1 H 1 1.151 0.003 . 1 . . . . . 91 Ala HB1 . 50015 1 1110 . 1 . 1 91 91 ALA HB2 H 1 1.151 0.003 . 1 . . . . . 91 Ala HB2 . 50015 1 1111 . 1 . 1 91 91 ALA HB3 H 1 1.151 0.003 . 1 . . . . . 91 Ala HB3 . 50015 1 1112 . 1 . 1 91 91 ALA C C 13 174.901 0.000 . 1 . . . . . 91 Ala C . 50015 1 1113 . 1 . 1 91 91 ALA CA C 13 50.442 0.006 . 1 . . . . . 91 Ala CA . 50015 1 1114 . 1 . 1 91 91 ALA CB C 13 22.366 0.037 . 1 . . . . . 91 Ala CB . 50015 1 1115 . 1 . 1 91 91 ALA N N 15 124.962 0.032 . 1 . . . . . 91 Ala N . 50015 1 1116 . 1 . 1 92 92 ARG H H 1 8.774 0.004 . 1 . . . . . 92 Arg H . 50015 1 1117 . 1 . 1 92 92 ARG HA H 1 5.705 0.004 . 1 . . . . . 92 Arg HA . 50015 1 1118 . 1 . 1 92 92 ARG HB2 H 1 1.673 0.005 . 1 . . . . . 92 Arg HB2 . 50015 1 1119 . 1 . 1 92 92 ARG HB3 H 1 1.672 0.003 . 1 . . . . . 92 Arg HB3 . 50015 1 1120 . 1 . 1 92 92 ARG HG2 H 1 1.360 0.006 . 1 . . . . . 92 Arg HG2 . 50015 1 1121 . 1 . 1 92 92 ARG HG3 H 1 1.417 0.002 . 1 . . . . . 92 Arg HG3 . 50015 1 1122 . 1 . 1 92 92 ARG HD2 H 1 2.978 0.005 . 1 . . . . . 92 Arg HD2 . 50015 1 1123 . 1 . 1 92 92 ARG HD3 H 1 2.978 0.005 . 1 . . . . . 92 Arg HD3 . 50015 1 1124 . 1 . 1 92 92 ARG C C 13 175.710 0.000 . 1 . . . . . 92 Arg C . 50015 1 1125 . 1 . 1 92 92 ARG CA C 13 54.369 0.064 . 1 . . . . . 92 Arg CA . 50015 1 1126 . 1 . 1 92 92 ARG CB C 13 34.158 0.021 . 1 . . . . . 92 Arg CB . 50015 1 1127 . 1 . 1 92 92 ARG CG C 13 27.523 0.056 . 1 . . . . . 92 Arg CG . 50015 1 1128 . 1 . 1 92 92 ARG CD C 13 43.052 0.054 . 1 . . . . . 92 Arg CD . 50015 1 1129 . 1 . 1 92 92 ARG N N 15 120.720 0.025 . 1 . . . . . 92 Arg N . 50015 1 1130 . 1 . 1 93 93 SER H H 1 8.625 0.003 . 1 . . . . . 93 Ser H . 50015 1 1131 . 1 . 1 93 93 SER HA H 1 4.678 0.001 . 1 . . . . . 93 Ser HA . 50015 1 1132 . 1 . 1 93 93 SER HB2 H 1 3.010 0.006 . 1 . . . . . 93 Ser HB2 . 50015 1 1133 . 1 . 1 93 93 SER HB3 H 1 2.899 0.006 . 1 . . . . . 93 Ser HB3 . 50015 1 1134 . 1 . 1 93 93 SER C C 13 172.534 0.000 . 1 . . . . . 93 Ser C . 50015 1 1135 . 1 . 1 93 93 SER CA C 13 56.933 0.015 . 1 . . . . . 93 Ser CA . 50015 1 1136 . 1 . 1 93 93 SER CB C 13 64.740 0.127 . 1 . . . . . 93 Ser CB . 50015 1 1137 . 1 . 1 93 93 SER N N 15 119.644 0.033 . 1 . . . . . 93 Ser N . 50015 1 1138 . 1 . 1 94 94 THR H H 1 8.054 0.005 . 1 . . . . . 94 Thr H . 50015 1 1139 . 1 . 1 94 94 THR HA H 1 5.451 0.004 . 1 . . . . . 94 Thr HA . 50015 1 1140 . 1 . 1 94 94 THR HB H 1 3.900 0.005 . 1 . . . . . 94 Thr HB . 50015 1 1141 . 1 . 1 94 94 THR HG21 H 1 1.103 0.004 . 1 . . . . . 94 Thr HG21 . 50015 1 1142 . 1 . 1 94 94 THR HG22 H 1 1.103 0.004 . 1 . . . . . 94 Thr HG22 . 50015 1 1143 . 1 . 1 94 94 THR HG23 H 1 1.103 0.004 . 1 . . . . . 94 Thr HG23 . 50015 1 1144 . 1 . 1 94 94 THR C C 13 173.335 0.000 . 1 . . . . . 94 Thr C . 50015 1 1145 . 1 . 1 94 94 THR CA C 13 60.471 0.027 . 1 . . . . . 94 Thr CA . 50015 1 1146 . 1 . 1 94 94 THR CB C 13 72.216 0.053 . 1 . . . . . 94 Thr CB . 50015 1 1147 . 1 . 1 94 94 THR CG2 C 13 20.934 0.078 . 1 . . . . . 94 Thr CG2 . 50015 1 1148 . 1 . 1 94 94 THR N N 15 117.122 0.027 . 1 . . . . . 94 Thr N . 50015 1 1149 . 1 . 1 95 95 ALA H H 1 9.179 0.002 . 1 . . . . . 95 Ala H . 50015 1 1150 . 1 . 1 95 95 ALA HA H 1 4.652 0.003 . 1 . . . . . 95 Ala HA . 50015 1 1151 . 1 . 1 95 95 ALA HB1 H 1 1.329 0.006 . 1 . . . . . 95 Ala HB1 . 50015 1 1152 . 1 . 1 95 95 ALA HB2 H 1 1.329 0.006 . 1 . . . . . 95 Ala HB2 . 50015 1 1153 . 1 . 1 95 95 ALA HB3 H 1 1.329 0.006 . 1 . . . . . 95 Ala HB3 . 50015 1 1154 . 1 . 1 95 95 ALA C C 13 174.371 0.000 . 1 . . . . . 95 Ala C . 50015 1 1155 . 1 . 1 95 95 ALA CA C 13 52.011 0.014 . 1 . . . . . 95 Ala CA . 50015 1 1156 . 1 . 1 95 95 ALA CB C 13 21.422 0.030 . 1 . . . . . 95 Ala CB . 50015 1 1157 . 1 . 1 95 95 ALA N N 15 125.301 0.021 . 1 . . . . . 95 Ala N . 50015 1 1158 . 1 . 1 96 96 GLU H H 1 8.665 0.004 . 1 . . . . . 96 Glu H . 50015 1 1159 . 1 . 1 96 96 GLU HA H 1 5.438 0.005 . 1 . . . . . 96 Glu HA . 50015 1 1160 . 1 . 1 96 96 GLU HB2 H 1 1.777 0.009 . 1 . . . . . 96 Glu HB2 . 50015 1 1161 . 1 . 1 96 96 GLU HB3 H 1 1.932 0.006 . 1 . . . . . 96 Glu HB3 . 50015 1 1162 . 1 . 1 96 96 GLU HG2 H 1 2.206 0.005 . 1 . . . . . 96 Glu HG2 . 50015 1 1163 . 1 . 1 96 96 GLU HG3 H 1 2.083 0.006 . 1 . . . . . 96 Glu HG3 . 50015 1 1164 . 1 . 1 96 96 GLU C C 13 175.364 0.000 . 1 . . . . . 96 Glu C . 50015 1 1165 . 1 . 1 96 96 GLU CA C 13 54.721 0.031 . 1 . . . . . 96 Glu CA . 50015 1 1166 . 1 . 1 96 96 GLU CB C 13 33.406 0.028 . 1 . . . . . 96 Glu CB . 50015 1 1167 . 1 . 1 96 96 GLU CG C 13 36.856 0.067 . 1 . . . . . 96 Glu CG . 50015 1 1168 . 1 . 1 96 96 GLU N N 15 117.022 0.032 . 1 . . . . . 96 Glu N . 50015 1 1169 . 1 . 1 97 97 LEU H H 1 9.086 0.003 . 1 . . . . . 97 Leu H . 50015 1 1170 . 1 . 1 97 97 LEU HA H 1 5.204 0.005 . 1 . . . . . 97 Leu HA . 50015 1 1171 . 1 . 1 97 97 LEU HB2 H 1 1.592 0.007 . 1 . . . . . 97 Leu HB2 . 50015 1 1172 . 1 . 1 97 97 LEU HB3 H 1 2.342 0.008 . 1 . . . . . 97 Leu HB3 . 50015 1 1173 . 1 . 1 97 97 LEU HG H 1 1.548 0.002 . 1 . . . . . 97 Leu HG . 50015 1 1174 . 1 . 1 97 97 LEU HD11 H 1 0.680 0.003 . 1 . . . . . 97 Leu HD11 . 50015 1 1175 . 1 . 1 97 97 LEU HD12 H 1 0.680 0.003 . 1 . . . . . 97 Leu HD12 . 50015 1 1176 . 1 . 1 97 97 LEU HD13 H 1 0.680 0.003 . 1 . . . . . 97 Leu HD13 . 50015 1 1177 . 1 . 1 97 97 LEU HD21 H 1 0.696 0.005 . 1 . . . . . 97 Leu HD21 . 50015 1 1178 . 1 . 1 97 97 LEU HD22 H 1 0.696 0.005 . 1 . . . . . 97 Leu HD22 . 50015 1 1179 . 1 . 1 97 97 LEU HD23 H 1 0.696 0.005 . 1 . . . . . 97 Leu HD23 . 50015 1 1180 . 1 . 1 97 97 LEU C C 13 176.382 0.000 . 1 . . . . . 97 Leu C . 50015 1 1181 . 1 . 1 97 97 LEU CA C 13 54.175 0.029 . 1 . . . . . 97 Leu CA . 50015 1 1182 . 1 . 1 97 97 LEU CB C 13 44.906 0.055 . 1 . . . . . 97 Leu CB . 50015 1 1183 . 1 . 1 97 97 LEU CG C 13 25.649 0.020 . 1 . . . . . 97 Leu CG . 50015 1 1184 . 1 . 1 97 97 LEU CD1 C 13 25.705 0.018 . 1 . . . . . 97 Leu CD1 . 50015 1 1185 . 1 . 1 97 97 LEU CD2 C 13 25.066 0.019 . 1 . . . . . 97 Leu CD2 . 50015 1 1186 . 1 . 1 97 97 LEU N N 15 124.666 0.021 . 1 . . . . . 97 Leu N . 50015 1 1187 . 1 . 1 98 98 LYS H H 1 9.047 0.006 . 1 . . . . . 98 Lys H . 50015 1 1188 . 1 . 1 98 98 LYS HA H 1 4.781 0.011 . 1 . . . . . 98 Lys HA . 50015 1 1189 . 1 . 1 98 98 LYS HB2 H 1 1.725 0.007 . 1 . . . . . 98 Lys HB2 . 50015 1 1190 . 1 . 1 98 98 LYS HB3 H 1 1.945 0.006 . 1 . . . . . 98 Lys HB3 . 50015 1 1191 . 1 . 1 98 98 LYS HG2 H 1 1.465 0.008 . 1 . . . . . 98 Lys HG2 . 50015 1 1192 . 1 . 1 98 98 LYS HG3 H 1 1.464 0.008 . 1 . . . . . 98 Lys HG3 . 50015 1 1193 . 1 . 1 98 98 LYS HD2 H 1 1.692 0.003 . 1 . . . . . 98 Lys HD2 . 50015 1 1194 . 1 . 1 98 98 LYS HD3 H 1 1.692 0.003 . 1 . . . . . 98 Lys HD3 . 50015 1 1195 . 1 . 1 98 98 LYS HE2 H 1 2.943 0.005 . 1 . . . . . 98 Lys HE2 . 50015 1 1196 . 1 . 1 98 98 LYS HE3 H 1 2.943 0.005 . 1 . . . . . 98 Lys HE3 . 50015 1 1197 . 1 . 1 98 98 LYS C C 13 174.793 0.000 . 1 . . . . . 98 Lys C . 50015 1 1198 . 1 . 1 98 98 LYS CA C 13 54.260 0.022 . 1 . . . . . 98 Lys CA . 50015 1 1199 . 1 . 1 98 98 LYS CB C 13 35.992 0.061 . 1 . . . . . 98 Lys CB . 50015 1 1200 . 1 . 1 98 98 LYS CG C 13 24.600 0.059 . 1 . . . . . 98 Lys CG . 50015 1 1201 . 1 . 1 98 98 LYS CD C 13 28.733 0.076 . 1 . . . . . 98 Lys CD . 50015 1 1202 . 1 . 1 98 98 LYS CE C 13 41.674 0.077 . 1 . . . . . 98 Lys CE . 50015 1 1203 . 1 . 1 98 98 LYS N N 15 127.739 0.026 . 1 . . . . . 98 Lys N . 50015 1 1204 . 1 . 1 99 99 GLY H H 1 8.618 0.005 . 1 . . . . . 99 Gly H . 50015 1 1205 . 1 . 1 99 99 GLY HA2 H 1 4.758 0.010 . 1 . . . . . 99 Gly HA2 . 50015 1 1206 . 1 . 1 99 99 GLY HA3 H 1 3.495 0.005 . 1 . . . . . 99 Gly HA3 . 50015 1 1207 . 1 . 1 99 99 GLY C C 13 174.539 0.000 . 1 . . . . . 99 Gly C . 50015 1 1208 . 1 . 1 99 99 GLY CA C 13 43.982 0.068 . 1 . . . . . 99 Gly CA . 50015 1 1209 . 1 . 1 99 99 GLY N N 15 109.374 0.042 . 1 . . . . . 99 Gly N . 50015 1 1210 . 1 . 1 100 100 GLU H H 1 8.040 0.003 . 1 . . . . . 100 Glu H . 50015 1 1211 . 1 . 1 100 100 GLU HA H 1 4.142 0.003 . 1 . . . . . 100 Glu HA . 50015 1 1212 . 1 . 1 100 100 GLU HB2 H 1 1.767 0.006 . 1 . . . . . 100 Glu HB2 . 50015 1 1213 . 1 . 1 100 100 GLU HB3 H 1 1.880 0.008 . 1 . . . . . 100 Glu HB3 . 50015 1 1214 . 1 . 1 100 100 GLU HG2 H 1 2.128 0.007 . 1 . . . . . 100 Glu HG2 . 50015 1 1215 . 1 . 1 100 100 GLU HG3 H 1 2.091 0.001 . 1 . . . . . 100 Glu HG3 . 50015 1 1216 . 1 . 1 100 100 GLU C C 13 176.476 0.000 . 1 . . . . . 100 Glu C . 50015 1 1217 . 1 . 1 100 100 GLU CA C 13 56.009 0.044 . 1 . . . . . 100 Glu CA . 50015 1 1218 . 1 . 1 100 100 GLU CB C 13 30.774 0.066 . 1 . . . . . 100 Glu CB . 50015 1 1219 . 1 . 1 100 100 GLU CG C 13 35.697 0.039 . 1 . . . . . 100 Glu CG . 50015 1 1220 . 1 . 1 100 100 GLU N N 15 121.794 0.029 . 1 . . . . . 100 Glu N . 50015 1 1221 . 1 . 1 101 101 LEU H H 1 8.506 0.002 . 1 . . . . . 101 Leu H . 50015 1 1222 . 1 . 1 101 101 LEU HA H 1 4.347 0.006 . 1 . . . . . 101 Leu HA . 50015 1 1223 . 1 . 1 101 101 LEU HB2 H 1 1.615 0.007 . 1 . . . . . 101 Leu HB2 . 50015 1 1224 . 1 . 1 101 101 LEU HB3 H 1 1.611 0.003 . 1 . . . . . 101 Leu HB3 . 50015 1 1225 . 1 . 1 101 101 LEU HD11 H 1 0.877 0.009 . 1 . . . . . 101 Leu HD11 . 50015 1 1226 . 1 . 1 101 101 LEU HD12 H 1 0.877 0.009 . 1 . . . . . 101 Leu HD12 . 50015 1 1227 . 1 . 1 101 101 LEU HD13 H 1 0.877 0.009 . 1 . . . . . 101 Leu HD13 . 50015 1 1228 . 1 . 1 101 101 LEU HD21 H 1 0.926 0.002 . 1 . . . . . 101 Leu HD21 . 50015 1 1229 . 1 . 1 101 101 LEU HD22 H 1 0.926 0.002 . 1 . . . . . 101 Leu HD22 . 50015 1 1230 . 1 . 1 101 101 LEU HD23 H 1 0.926 0.002 . 1 . . . . . 101 Leu HD23 . 50015 1 1231 . 1 . 1 101 101 LEU C C 13 177.580 0.000 . 1 . . . . . 101 Leu C . 50015 1 1232 . 1 . 1 101 101 LEU CA C 13 55.037 0.024 . 1 . . . . . 101 Leu CA . 50015 1 1233 . 1 . 1 101 101 LEU CB C 13 41.839 0.042 . 1 . . . . . 101 Leu CB . 50015 1 1234 . 1 . 1 101 101 LEU CD1 C 13 23.506 0.061 . 1 . . . . . 101 Leu CD1 . 50015 1 1235 . 1 . 1 101 101 LEU CD2 C 13 24.555 0.006 . 1 . . . . . 101 Leu CD2 . 50015 1 1236 . 1 . 1 101 101 LEU N N 15 124.587 0.027 . 1 . . . . . 101 Leu N . 50015 1 1237 . 1 . 1 102 102 ARG H H 1 8.511 0.001 . 1 . . . . . 102 Arg H . 50015 1 1238 . 1 . 1 102 102 ARG HA H 1 4.419 0.009 . 1 . . . . . 102 Arg HA . 50015 1 1239 . 1 . 1 102 102 ARG HB2 H 1 1.783 0.006 . 1 . . . . . 102 Arg HB2 . 50015 1 1240 . 1 . 1 102 102 ARG HB3 H 1 1.900 0.009 . 1 . . . . . 102 Arg HB3 . 50015 1 1241 . 1 . 1 102 102 ARG HG2 H 1 1.649 0.002 . 1 . . . . . 102 Arg HG2 . 50015 1 1242 . 1 . 1 102 102 ARG HG3 H 1 1.649 0.002 . 1 . . . . . 102 Arg HG3 . 50015 1 1243 . 1 . 1 102 102 ARG HD2 H 1 3.223 0.005 . 1 . . . . . 102 Arg HD2 . 50015 1 1244 . 1 . 1 102 102 ARG HD3 H 1 3.223 0.005 . 1 . . . . . 102 Arg HD3 . 50015 1 1245 . 1 . 1 102 102 ARG C C 13 176.541 0.000 . 1 . . . . . 102 Arg C . 50015 1 1246 . 1 . 1 102 102 ARG CA C 13 55.569 0.009 . 1 . . . . . 102 Arg CA . 50015 1 1247 . 1 . 1 102 102 ARG CB C 13 30.794 0.115 . 1 . . . . . 102 Arg CB . 50015 1 1248 . 1 . 1 102 102 ARG CG C 13 26.874 0.094 . 1 . . . . . 102 Arg CG . 50015 1 1249 . 1 . 1 102 102 ARG CD C 13 43.151 0.123 . 1 . . . . . 102 Arg CD . 50015 1 1250 . 1 . 1 102 102 ARG N N 15 123.225 0.018 . 1 . . . . . 102 Arg N . 50015 1 1251 . 1 . 1 103 103 SER H H 1 8.402 0.001 . 1 . . . . . 103 Ser H . 50015 1 1252 . 1 . 1 103 103 SER HA H 1 4.787 0.000 . 1 . . . . . 103 Ser HA . 50015 1 1253 . 1 . 1 103 103 SER HB2 H 1 3.896 0.002 . 1 . . . . . 103 Ser HB2 . 50015 1 1254 . 1 . 1 103 103 SER C C 13 175.349 0.000 . 1 . . . . . 103 Ser C . 50015 1 1255 . 1 . 1 103 103 SER CA C 13 58.211 0.013 . 1 . . . . . 103 Ser CA . 50015 1 1256 . 1 . 1 103 103 SER CB C 13 63.637 0.013 . 1 . . . . . 103 Ser CB . 50015 1 1257 . 1 . 1 103 103 SER N N 15 117.442 0.022 . 1 . . . . . 103 Ser N . 50015 1 1258 . 1 . 1 104 104 GLY H H 1 8.532 0.002 . 1 . . . . . 104 Gly H . 50015 1 1259 . 1 . 1 104 104 GLY HA2 H 1 4.013 0.001 . 1 . . . . . 104 Gly HA2 . 50015 1 1260 . 1 . 1 104 104 GLY HA3 H 1 4.013 0.000 . 1 . . . . . 104 Gly HA3 . 50015 1 1261 . 1 . 1 104 104 GLY C C 13 173.681 0.000 . 1 . . . . . 104 Gly C . 50015 1 1262 . 1 . 1 104 104 GLY CA C 13 45.216 0.037 . 1 . . . . . 104 Gly CA . 50015 1 1263 . 1 . 1 104 104 GLY N N 15 111.598 0.023 . 1 . . . . . 104 Gly N . 50015 1 1264 . 1 . 1 105 105 CYS H H 1 7.903 0.002 . 1 . . . . . 105 Cys H . 50015 1 1265 . 1 . 1 105 105 CYS HA H 1 4.941 0.007 . 1 . . . . . 105 Cys HA . 50015 1 1266 . 1 . 1 105 105 CYS HB2 H 1 2.936 0.012 . 1 . . . . . 105 Cys HB2 . 50015 1 1267 . 1 . 1 105 105 CYS HB3 H 1 2.945 0.000 . 1 . . . . . 105 Cys HB3 . 50015 1 1268 . 1 . 1 105 105 CYS CA C 13 59.225 0.000 . 1 . . . . . 105 Cys CA . 50015 1 1269 . 1 . 1 105 105 CYS CB C 13 28.831 0.043 . 1 . . . . . 105 Cys CB . 50015 1 1270 . 1 . 1 105 105 CYS N N 15 122.931 0.020 . 1 . . . . . 105 Cys N . 50015 1 stop_ save_