data_15403 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15403 _Entry.Title ; Simian Foamy Virus (mac) protease structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-07-23 _Entry.Accession_date 2007-07-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Maximilian Hartl . . . 15403 2 Kristian Schweimer . . . 15403 3 Birgitta Woehrl . . . 15403 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Lehrstuhl Biopolymere, Universit t Bayreuth' . 15403 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15403 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 442 15403 '15N chemical shifts' 94 15403 '1H chemical shifts' 698 15403 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 3 . . 2009-08-12 2007-07-23 update BMRB 'corrected entry citation' 15403 2 . . 2008-01-30 2007-07-23 update BMRB 'complete entry citation' 15403 1 . . 2007-09-24 2007-07-23 original author 'original release' 15403 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15403 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636858 _Citation.Full_citation . _Citation.Title 'Sequence-specific (1)H, (13)C and (15)N resonance assignments and secondary structure of a truncated protease from Simian Foamy Virus' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 2 _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 175 _Citation.Page_last 177 _Citation.Year 2007 _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.Entry_ID _Citation_author.Citation_ID 1 Maximilian Hartl . J. . 15403 1 2 Birgitta Wohrl . M. . 15403 1 3 Kristian Schweimer . . . 15403 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15403 _Assembly.ID 1 _Assembly.Name 'SFVmac Pol 1-101 6His' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SFVmac Pol 1-101 6His' 1 $SFVmac_Pol_1-101_6His A . yes native no no . . . 15403 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SFVmac_Pol_1-101_6His _Entity.Sf_category entity _Entity.Sf_framecode SFVmac_Pol_1-101_6His _Entity.Entry_ID 15403 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SFVmac_Pol_1-101_6His _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDPLQLLQPLEAEIKGTKLK AHWDSGATITCVPEAFLEDE RPIQTMLIKTIHGEKQQDVY YLTFKVQGRKVEAEVLASPY DYILLNPSDVPWLMKKPLQL THHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'SFVmac PRshort' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 no PDB 2JYS . "Solution Structure Of Simian Foamy Virus (Mac) Protease" . . . . . 100.00 107 100.00 100.00 1.41e-71 . . . . 15403 1 2 no EMBL CAA41394 . "pol [Simian foamy virus]" . . . . . 94.39 970 100.00 100.00 3.16e-60 . . . . 15403 1 3 no GB AGM61336 . "pol protein [Macaque simian foamy virus]" . . . . . 94.39 1149 99.01 100.00 2.63e-59 . . . . 15403 1 4 no PIR S18738 . "pol protein - simian foamy virus (fragment)" . . . . . 94.39 1161 100.00 100.00 5.23e-60 . . . . 15403 1 5 no REF YP_001961122 . "Pol [Macaque simian foamy virus]" . . . . . 94.39 1149 100.00 100.00 5.40e-60 . . . . 15403 1 6 no SP P23074 . "RecName: Full=Pro-Pol polyprotein; AltName: Full=Pr125Pol; Contains: RecName: Full=Protease/Reverse transcriptase/ribonuclease " . . . . . 94.39 1149 100.00 100.00 5.40e-60 . . . . 15403 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 . MET . 15403 1 2 . ASP . 15403 1 3 . PRO . 15403 1 4 . LEU . 15403 1 5 . GLN . 15403 1 6 . LEU . 15403 1 7 . LEU . 15403 1 8 . GLN . 15403 1 9 . PRO . 15403 1 10 . LEU . 15403 1 11 . GLU . 15403 1 12 . ALA . 15403 1 13 . GLU . 15403 1 14 . ILE . 15403 1 15 . LYS . 15403 1 16 . GLY . 15403 1 17 . THR . 15403 1 18 . LYS . 15403 1 19 . LEU . 15403 1 20 . LYS . 15403 1 21 . ALA . 15403 1 22 . HIS . 15403 1 23 . TRP . 15403 1 24 . ASP . 15403 1 25 . SER . 15403 1 26 . GLY . 15403 1 27 . ALA . 15403 1 28 . THR . 15403 1 29 . ILE . 15403 1 30 . THR . 15403 1 31 . CYS . 15403 1 32 . VAL . 15403 1 33 . PRO . 15403 1 34 . GLU . 15403 1 35 . ALA . 15403 1 36 . PHE . 15403 1 37 . LEU . 15403 1 38 . GLU . 15403 1 39 . ASP . 15403 1 40 . GLU . 15403 1 41 . ARG . 15403 1 42 . PRO . 15403 1 43 . ILE . 15403 1 44 . GLN . 15403 1 45 . THR . 15403 1 46 . MET . 15403 1 47 . LEU . 15403 1 48 . ILE . 15403 1 49 . LYS . 15403 1 50 . THR . 15403 1 51 . ILE . 15403 1 52 . HIS . 15403 1 53 . GLY . 15403 1 54 . GLU . 15403 1 55 . LYS . 15403 1 56 . GLN . 15403 1 57 . GLN . 15403 1 58 . ASP . 15403 1 59 . VAL . 15403 1 60 . TYR . 15403 1 61 . TYR . 15403 1 62 . LEU . 15403 1 63 . THR . 15403 1 64 . PHE . 15403 1 65 . LYS . 15403 1 66 . VAL . 15403 1 67 . GLN . 15403 1 68 . GLY . 15403 1 69 . ARG . 15403 1 70 . LYS . 15403 1 71 . VAL . 15403 1 72 . GLU . 15403 1 73 . ALA . 15403 1 74 . GLU . 15403 1 75 . VAL . 15403 1 76 . LEU . 15403 1 77 . ALA . 15403 1 78 . SER . 15403 1 79 . PRO . 15403 1 80 . TYR . 15403 1 81 . ASP . 15403 1 82 . TYR . 15403 1 83 . ILE . 15403 1 84 . LEU . 15403 1 85 . LEU . 15403 1 86 . ASN . 15403 1 87 . PRO . 15403 1 88 . SER . 15403 1 89 . ASP . 15403 1 90 . VAL . 15403 1 91 . PRO . 15403 1 92 . TRP . 15403 1 93 . LEU . 15403 1 94 . MET . 15403 1 95 . LYS . 15403 1 96 . LYS . 15403 1 97 . PRO . 15403 1 98 . LEU . 15403 1 99 . GLN . 15403 1 100 . LEU . 15403 1 101 . THR . 15403 1 102 . HIS . 15403 1 103 . HIS . 15403 1 104 . HIS . 15403 1 105 . HIS . 15403 1 106 . HIS . 15403 1 107 . HIS . 15403 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15403 1 . ASP 2 2 15403 1 . PRO 3 3 15403 1 . LEU 4 4 15403 1 . GLN 5 5 15403 1 . LEU 6 6 15403 1 . LEU 7 7 15403 1 . GLN 8 8 15403 1 . PRO 9 9 15403 1 . LEU 10 10 15403 1 . GLU 11 11 15403 1 . ALA 12 12 15403 1 . GLU 13 13 15403 1 . ILE 14 14 15403 1 . LYS 15 15 15403 1 . GLY 16 16 15403 1 . THR 17 17 15403 1 . LYS 18 18 15403 1 . LEU 19 19 15403 1 . LYS 20 20 15403 1 . ALA 21 21 15403 1 . HIS 22 22 15403 1 . TRP 23 23 15403 1 . ASP 24 24 15403 1 . SER 25 25 15403 1 . GLY 26 26 15403 1 . ALA 27 27 15403 1 . THR 28 28 15403 1 . ILE 29 29 15403 1 . THR 30 30 15403 1 . CYS 31 31 15403 1 . VAL 32 32 15403 1 . PRO 33 33 15403 1 . GLU 34 34 15403 1 . ALA 35 35 15403 1 . PHE 36 36 15403 1 . LEU 37 37 15403 1 . GLU 38 38 15403 1 . ASP 39 39 15403 1 . GLU 40 40 15403 1 . ARG 41 41 15403 1 . PRO 42 42 15403 1 . ILE 43 43 15403 1 . GLN 44 44 15403 1 . THR 45 45 15403 1 . MET 46 46 15403 1 . LEU 47 47 15403 1 . ILE 48 48 15403 1 . LYS 49 49 15403 1 . THR 50 50 15403 1 . ILE 51 51 15403 1 . HIS 52 52 15403 1 . GLY 53 53 15403 1 . GLU 54 54 15403 1 . LYS 55 55 15403 1 . GLN 56 56 15403 1 . GLN 57 57 15403 1 . ASP 58 58 15403 1 . VAL 59 59 15403 1 . TYR 60 60 15403 1 . TYR 61 61 15403 1 . LEU 62 62 15403 1 . THR 63 63 15403 1 . PHE 64 64 15403 1 . LYS 65 65 15403 1 . VAL 66 66 15403 1 . GLN 67 67 15403 1 . GLY 68 68 15403 1 . ARG 69 69 15403 1 . LYS 70 70 15403 1 . VAL 71 71 15403 1 . GLU 72 72 15403 1 . ALA 73 73 15403 1 . GLU 74 74 15403 1 . VAL 75 75 15403 1 . LEU 76 76 15403 1 . ALA 77 77 15403 1 . SER 78 78 15403 1 . PRO 79 79 15403 1 . TYR 80 80 15403 1 . ASP 81 81 15403 1 . TYR 82 82 15403 1 . ILE 83 83 15403 1 . LEU 84 84 15403 1 . LEU 85 85 15403 1 . ASN 86 86 15403 1 . PRO 87 87 15403 1 . SER 88 88 15403 1 . ASP 89 89 15403 1 . VAL 90 90 15403 1 . PRO 91 91 15403 1 . TRP 92 92 15403 1 . LEU 93 93 15403 1 . MET 94 94 15403 1 . LYS 95 95 15403 1 . LYS 96 96 15403 1 . PRO 97 97 15403 1 . LEU 98 98 15403 1 . GLN 99 99 15403 1 . LEU 100 100 15403 1 . THR 101 101 15403 1 . HIS 102 102 15403 1 . HIS 103 103 15403 1 . HIS 104 104 15403 1 . HIS 105 105 15403 1 . HIS 106 106 15403 1 . HIS 107 107 15403 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15403 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SFVmac_Pol_1-101_6His . 11642 virus . 'simian foamy virus mac' 'simian foamy virus' . . Viruses . Spumavirus 'simian foamy virus' . . . . . . . . . . . . . . . . . . . . . 15403 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 15403 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SFVmac_Pol_1-101_6His . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'rosetta DE3' . . . . . . . . . . . . . . . pET28c . . . . . . 15403 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15403 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'SFVmac Pol 1-101 6His' '[U-100% 13C; U-100% 15N]' . . 1 $SFVmac_Pol_1-101_6His . . 1 . . mM . . . . 15403 1 2 'phosphate buffer 7.4' . . . . . . . 50 . . mM . . . . 15403 1 3 NaCl . . . . . . . 100 . . mM . . . . 15403 1 4 DTT . . . . . . . . . . mM . . . . 15403 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15403 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 15403 1 pH 7.4 . pH 15403 1 pressure 1 . atm 15403 1 temperature 298 . K 15403 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15403 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15403 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15403 1 'data analysis' 15403 1 'peak picking' 15403 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15403 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15403 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 'equipped with CryoProbe' . . 15403 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15403 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15403 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15403 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15403 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15403 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15403 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15403 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15403 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15403 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15403 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15403 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0.0 na indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15403 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 15403 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0.0 na indirect 1.0 . . . 1 $entry_citation . . 1 $entry_citation 15403 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15403 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15403 1 7 '2D 1H-13C HSQC' . . . 15403 1 8 '3D HCCH-TOCSY' . . . 15403 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PRO HA H 1 4.28 0.03 . 1 . . . . 3 PRO HA . 15403 1 2 . 1 1 3 3 PRO HB2 H 1 1.91 0.03 . 2 . . . . 3 PRO HB2 . 15403 1 3 . 1 1 3 3 PRO HB3 H 1 2.32 0.03 . 2 . . . . 3 PRO HB3 . 15403 1 4 . 1 1 3 3 PRO HD2 H 1 3.83 0.03 . 2 . . . . 3 PRO HD2 . 15403 1 5 . 1 1 3 3 PRO HD3 H 1 3.92 0.03 . 2 . . . . 3 PRO HD3 . 15403 1 6 . 1 1 3 3 PRO HG2 H 1 2.03 0.03 . 2 . . . . 3 PRO HG2 . 15403 1 7 . 1 1 3 3 PRO HG3 H 1 2.03 0.03 . 2 . . . . 3 PRO HG3 . 15403 1 8 . 1 1 3 3 PRO C C 13 177.75 0.3 . 1 . . . . 3 PRO C . 15403 1 9 . 1 1 3 3 PRO CA C 13 64.15 0.3 . 1 . . . . 3 PRO CA . 15403 1 10 . 1 1 3 3 PRO CB C 13 32.17 0.3 . 1 . . . . 3 PRO CB . 15403 1 11 . 1 1 3 3 PRO CD C 13 50.96 0.3 . 1 . . . . 3 PRO CD . 15403 1 12 . 1 1 3 3 PRO CG C 13 27.39 0.3 . 1 . . . . 3 PRO CG . 15403 1 13 . 1 1 4 4 LEU H H 1 8.36 0.03 . 1 . . . . 4 LEU H . 15403 1 14 . 1 1 4 4 LEU HA H 1 4.20 0.03 . 1 . . . . 4 LEU HA . 15403 1 15 . 1 1 4 4 LEU HB2 H 1 1.51 0.03 . 2 . . . . 4 LEU HB2 . 15403 1 16 . 1 1 4 4 LEU HB3 H 1 1.71 0.03 . 2 . . . . 4 LEU HB3 . 15403 1 17 . 1 1 4 4 LEU HD11 H 1 0.90 0.03 . 2 . . . . 4 LEU HD1 . 15403 1 18 . 1 1 4 4 LEU HD12 H 1 0.90 0.03 . 2 . . . . 4 LEU HD1 . 15403 1 19 . 1 1 4 4 LEU HD13 H 1 0.90 0.03 . 2 . . . . 4 LEU HD1 . 15403 1 20 . 1 1 4 4 LEU HD21 H 1 0.82 0.03 . 2 . . . . 4 LEU HD2 . 15403 1 21 . 1 1 4 4 LEU HD22 H 1 0.82 0.03 . 2 . . . . 4 LEU HD2 . 15403 1 22 . 1 1 4 4 LEU HD23 H 1 0.82 0.03 . 2 . . . . 4 LEU HD2 . 15403 1 23 . 1 1 4 4 LEU HG H 1 1.61 0.03 . 1 . . . . 4 LEU HG . 15403 1 24 . 1 1 4 4 LEU C C 13 178.43 0.3 . 1 . . . . 4 LEU C . 15403 1 25 . 1 1 4 4 LEU CA C 13 56.10 0.3 . 1 . . . . 4 LEU CA . 15403 1 26 . 1 1 4 4 LEU CB C 13 41.47 0.3 . 1 . . . . 4 LEU CB . 15403 1 27 . 1 1 4 4 LEU CD1 C 13 24.79 0.3 . 2 . . . . 4 LEU CD1 . 15403 1 28 . 1 1 4 4 LEU CD2 C 13 23.38 0.3 . 2 . . . . 4 LEU CD2 . 15403 1 29 . 1 1 4 4 LEU CG C 13 27.26 0.3 . 1 . . . . 4 LEU CG . 15403 1 30 . 1 1 4 4 LEU N N 15 119.39 0.1 . 1 . . . . 4 LEU N . 15403 1 31 . 1 1 5 5 GLN H H 1 8.06 0.03 . 1 . . . . 5 GLN H . 15403 1 32 . 1 1 5 5 GLN HA H 1 4.23 0.03 . 1 . . . . 5 GLN HA . 15403 1 33 . 1 1 5 5 GLN HB2 H 1 2.05 0.03 . 2 . . . . 5 GLN HB2 . 15403 1 34 . 1 1 5 5 GLN HB3 H 1 2.13 0.03 . 2 . . . . 5 GLN HB3 . 15403 1 35 . 1 1 5 5 GLN HG2 H 1 2.35 0.03 . 2 . . . . 5 GLN HG2 . 15403 1 36 . 1 1 5 5 GLN HG3 H 1 2.40 0.03 . 2 . . . . 5 GLN HG3 . 15403 1 37 . 1 1 5 5 GLN C C 13 176.43 0.3 . 1 . . . . 5 GLN C . 15403 1 38 . 1 1 5 5 GLN CA C 13 56.44 0.3 . 1 . . . . 5 GLN CA . 15403 1 39 . 1 1 5 5 GLN CB C 13 29.13 0.3 . 1 . . . . 5 GLN CB . 15403 1 40 . 1 1 5 5 GLN CG C 13 33.97 0.3 . 1 . . . . 5 GLN CG . 15403 1 41 . 1 1 5 5 GLN N N 15 119.02 0.1 . 1 . . . . 5 GLN N . 15403 1 42 . 1 1 6 6 LEU H H 1 7.79 0.03 . 1 . . . . 6 LEU H . 15403 1 43 . 1 1 6 6 LEU HA H 1 4.18 0.03 . 1 . . . . 6 LEU HA . 15403 1 44 . 1 1 6 6 LEU HB2 H 1 1.32 0.03 . 2 . . . . 6 LEU HB2 . 15403 1 45 . 1 1 6 6 LEU HB3 H 1 1.46 0.03 . 2 . . . . 6 LEU HB3 . 15403 1 46 . 1 1 6 6 LEU HD11 H 1 0.50 0.03 . 2 . . . . 6 LEU HD1 . 15403 1 47 . 1 1 6 6 LEU HD12 H 1 0.50 0.03 . 2 . . . . 6 LEU HD1 . 15403 1 48 . 1 1 6 6 LEU HD13 H 1 0.50 0.03 . 2 . . . . 6 LEU HD1 . 15403 1 49 . 1 1 6 6 LEU HD21 H 1 0.44 0.03 . 2 . . . . 6 LEU HD2 . 15403 1 50 . 1 1 6 6 LEU HD22 H 1 0.44 0.03 . 2 . . . . 6 LEU HD2 . 15403 1 51 . 1 1 6 6 LEU HD23 H 1 0.44 0.03 . 2 . . . . 6 LEU HD2 . 15403 1 52 . 1 1 6 6 LEU HG H 1 1.34 0.03 . 1 . . . . 6 LEU HG . 15403 1 53 . 1 1 6 6 LEU C C 13 176.98 0.3 . 1 . . . . 6 LEU C . 15403 1 54 . 1 1 6 6 LEU CA C 13 55.34 0.3 . 1 . . . . 6 LEU CA . 15403 1 55 . 1 1 6 6 LEU CB C 13 41.64 0.3 . 1 . . . . 6 LEU CB . 15403 1 56 . 1 1 6 6 LEU CD1 C 13 24.58 0.3 . 2 . . . . 6 LEU CD1 . 15403 1 57 . 1 1 6 6 LEU CD2 C 13 23.17 0.3 . 2 . . . . 6 LEU CD2 . 15403 1 58 . 1 1 6 6 LEU CG C 13 26.52 0.3 . 1 . . . . 6 LEU CG . 15403 1 59 . 1 1 6 6 LEU N N 15 120.65 0.1 . 1 . . . . 6 LEU N . 15403 1 60 . 1 1 7 7 LEU H H 1 7.82 0.03 . 1 . . . . 7 LEU H . 15403 1 61 . 1 1 7 7 LEU HA H 1 4.40 0.03 . 1 . . . . 7 LEU HA . 15403 1 62 . 1 1 7 7 LEU HB2 H 1 1.60 0.03 . 2 . . . . 7 LEU HB2 . 15403 1 63 . 1 1 7 7 LEU HB3 H 1 1.71 0.03 . 2 . . . . 7 LEU HB3 . 15403 1 64 . 1 1 7 7 LEU HD11 H 1 0.89 0.03 . 2 . . . . 7 LEU HD1 . 15403 1 65 . 1 1 7 7 LEU HD12 H 1 0.89 0.03 . 2 . . . . 7 LEU HD1 . 15403 1 66 . 1 1 7 7 LEU HD13 H 1 0.89 0.03 . 2 . . . . 7 LEU HD1 . 15403 1 67 . 1 1 7 7 LEU HD21 H 1 0.82 0.03 . 2 . . . . 7 LEU HD2 . 15403 1 68 . 1 1 7 7 LEU HD22 H 1 0.82 0.03 . 2 . . . . 7 LEU HD2 . 15403 1 69 . 1 1 7 7 LEU HD23 H 1 0.82 0.03 . 2 . . . . 7 LEU HD2 . 15403 1 70 . 1 1 7 7 LEU HG H 1 1.61 0.03 . 1 . . . . 7 LEU HG . 15403 1 71 . 1 1 7 7 LEU C C 13 177.04 0.3 . 1 . . . . 7 LEU C . 15403 1 72 . 1 1 7 7 LEU CA C 13 55.00 0.3 . 1 . . . . 7 LEU CA . 15403 1 73 . 1 1 7 7 LEU CB C 13 42.39 0.3 . 1 . . . . 7 LEU CB . 15403 1 74 . 1 1 7 7 LEU CD1 C 13 25.19 0.3 . 2 . . . . 7 LEU CD1 . 15403 1 75 . 1 1 7 7 LEU CD2 C 13 23.05 0.3 . 2 . . . . 7 LEU CD2 . 15403 1 76 . 1 1 7 7 LEU CG C 13 26.88 0.3 . 1 . . . . 7 LEU CG . 15403 1 77 . 1 1 7 7 LEU N N 15 119.89 0.1 . 1 . . . . 7 LEU N . 15403 1 78 . 1 1 8 8 GLN H H 1 8.13 0.03 . 1 . . . . 8 GLN H . 15403 1 79 . 1 1 8 8 GLN HA H 1 4.66 0.03 . 1 . . . . 8 GLN HA . 15403 1 80 . 1 1 8 8 GLN HB2 H 1 1.99 0.03 . 2 . . . . 8 GLN HB2 . 15403 1 81 . 1 1 8 8 GLN HB3 H 1 2.16 0.03 . 2 . . . . 8 GLN HB3 . 15403 1 82 . 1 1 8 8 GLN HG2 H 1 2.41 0.03 . 2 . . . . 8 GLN HG2 . 15403 1 83 . 1 1 8 8 GLN HG3 H 1 2.41 0.03 . 2 . . . . 8 GLN HG3 . 15403 1 84 . 1 1 8 8 GLN CA C 13 53.57 0.3 . 1 . . . . 8 GLN CA . 15403 1 85 . 1 1 8 8 GLN CB C 13 28.88 0.3 . 1 . . . . 8 GLN CB . 15403 1 86 . 1 1 8 8 GLN CG C 13 33.56 0.3 . 1 . . . . 8 GLN CG . 15403 1 87 . 1 1 8 8 GLN N N 15 120.56 0.1 . 1 . . . . 8 GLN N . 15403 1 88 . 1 1 9 9 PRO HA H 1 4.41 0.03 . 1 . . . . 9 PRO HA . 15403 1 89 . 1 1 9 9 PRO HB2 H 1 1.79 0.03 . 2 . . . . 9 PRO HB2 . 15403 1 90 . 1 1 9 9 PRO HB3 H 1 1.93 0.03 . 2 . . . . 9 PRO HB3 . 15403 1 91 . 1 1 9 9 PRO HD2 H 1 3.66 0.03 . 2 . . . . 9 PRO HD2 . 15403 1 92 . 1 1 9 9 PRO HD3 H 1 3.75 0.03 . 2 . . . . 9 PRO HD3 . 15403 1 93 . 1 1 9 9 PRO HG2 H 1 1.86 0.03 . 2 . . . . 9 PRO HG2 . 15403 1 94 . 1 1 9 9 PRO HG3 H 1 2.07 0.03 . 2 . . . . 9 PRO HG3 . 15403 1 95 . 1 1 9 9 PRO C C 13 176.46 0.3 . 1 . . . . 9 PRO C . 15403 1 96 . 1 1 9 9 PRO CA C 13 63.03 0.3 . 1 . . . . 9 PRO CA . 15403 1 97 . 1 1 9 9 PRO CB C 13 32.21 0.3 . 1 . . . . 9 PRO CB . 15403 1 98 . 1 1 9 9 PRO CD C 13 50.52 0.3 . 1 . . . . 9 PRO CD . 15403 1 99 . 1 1 9 9 PRO CG C 13 27.30 0.3 . 1 . . . . 9 PRO CG . 15403 1 100 . 1 1 10 10 LEU H H 1 9.19 0.03 . 1 . . . . 10 LEU H . 15403 1 101 . 1 1 10 10 LEU HA H 1 4.64 0.03 . 1 . . . . 10 LEU HA . 15403 1 102 . 1 1 10 10 LEU HB2 H 1 1.50 0.03 . 2 . . . . 10 LEU HB2 . 15403 1 103 . 1 1 10 10 LEU HB3 H 1 1.69 0.03 . 2 . . . . 10 LEU HB3 . 15403 1 104 . 1 1 10 10 LEU HD11 H 1 0.89 0.03 . 2 . . . . 10 LEU HD1 . 15403 1 105 . 1 1 10 10 LEU HD12 H 1 0.89 0.03 . 2 . . . . 10 LEU HD1 . 15403 1 106 . 1 1 10 10 LEU HD13 H 1 0.89 0.03 . 2 . . . . 10 LEU HD1 . 15403 1 107 . 1 1 10 10 LEU HD21 H 1 0.80 0.03 . 2 . . . . 10 LEU HD2 . 15403 1 108 . 1 1 10 10 LEU HD22 H 1 0.80 0.03 . 2 . . . . 10 LEU HD2 . 15403 1 109 . 1 1 10 10 LEU HD23 H 1 0.80 0.03 . 2 . . . . 10 LEU HD2 . 15403 1 110 . 1 1 10 10 LEU HG H 1 1.90 0.03 . 1 . . . . 10 LEU HG . 15403 1 111 . 1 1 10 10 LEU C C 13 176.62 0.3 . 1 . . . . 10 LEU C . 15403 1 112 . 1 1 10 10 LEU CA C 13 53.42 0.3 . 1 . . . . 10 LEU CA . 15403 1 113 . 1 1 10 10 LEU CB C 13 44.29 0.3 . 1 . . . . 10 LEU CB . 15403 1 114 . 1 1 10 10 LEU CD1 C 13 23.69 0.3 . 2 . . . . 10 LEU CD1 . 15403 1 115 . 1 1 10 10 LEU CD2 C 13 23.69 0.3 . 2 . . . . 10 LEU CD2 . 15403 1 116 . 1 1 10 10 LEU CG C 13 26.43 0.3 . 1 . . . . 10 LEU CG . 15403 1 117 . 1 1 10 10 LEU N N 15 123.06 0.1 . 1 . . . . 10 LEU N . 15403 1 118 . 1 1 11 11 GLU H H 1 8.72 0.03 . 1 . . . . 11 GLU H . 15403 1 119 . 1 1 11 11 GLU HA H 1 4.49 0.03 . 1 . . . . 11 GLU HA . 15403 1 120 . 1 1 11 11 GLU HB2 H 1 2.01 0.03 . 2 . . . . 11 GLU HB2 . 15403 1 121 . 1 1 11 11 GLU HB3 H 1 2.17 0.03 . 2 . . . . 11 GLU HB3 . 15403 1 122 . 1 1 11 11 GLU HG2 H 1 2.29 0.03 . 2 . . . . 11 GLU HG2 . 15403 1 123 . 1 1 11 11 GLU HG3 H 1 2.41 0.03 . 2 . . . . 11 GLU HG3 . 15403 1 124 . 1 1 11 11 GLU C C 13 176.62 0.3 . 1 . . . . 11 GLU C . 15403 1 125 . 1 1 11 11 GLU CA C 13 57.06 0.3 . 1 . . . . 11 GLU CA . 15403 1 126 . 1 1 11 11 GLU CB C 13 30.82 0.3 . 1 . . . . 11 GLU CB . 15403 1 127 . 1 1 11 11 GLU CG C 13 36.68 0.3 . 1 . . . . 11 GLU CG . 15403 1 128 . 1 1 11 11 GLU N N 15 121.33 0.1 . 1 . . . . 11 GLU N . 15403 1 129 . 1 1 12 12 ALA H H 1 8.76 0.03 . 1 . . . . 12 ALA H . 15403 1 130 . 1 1 12 12 ALA HA H 1 5.39 0.03 . 1 . . . . 12 ALA HA . 15403 1 131 . 1 1 12 12 ALA HB1 H 1 1.37 0.03 . 1 . . . . 12 ALA HB . 15403 1 132 . 1 1 12 12 ALA HB2 H 1 1.37 0.03 . 1 . . . . 12 ALA HB . 15403 1 133 . 1 1 12 12 ALA HB3 H 1 1.37 0.03 . 1 . . . . 12 ALA HB . 15403 1 134 . 1 1 12 12 ALA C C 13 176.04 0.3 . 1 . . . . 12 ALA C . 15403 1 135 . 1 1 12 12 ALA CA C 13 50.35 0.3 . 1 . . . . 12 ALA CA . 15403 1 136 . 1 1 12 12 ALA CB C 13 24.49 0.3 . 1 . . . . 12 ALA CB . 15403 1 137 . 1 1 12 12 ALA N N 15 127.01 0.1 . 1 . . . . 12 ALA N . 15403 1 138 . 1 1 13 13 GLU H H 1 8.85 0.03 . 1 . . . . 13 GLU H . 15403 1 139 . 1 1 13 13 GLU HA H 1 5.24 0.03 . 1 . . . . 13 GLU HA . 15403 1 140 . 1 1 13 13 GLU HB2 H 1 1.76 0.03 . 2 . . . . 13 GLU HB2 . 15403 1 141 . 1 1 13 13 GLU HB3 H 1 1.84 0.03 . 2 . . . . 13 GLU HB3 . 15403 1 142 . 1 1 13 13 GLU HG2 H 1 2.27 0.03 . 2 . . . . 13 GLU HG2 . 15403 1 143 . 1 1 13 13 GLU HG3 H 1 2.58 0.03 . 2 . . . . 13 GLU HG3 . 15403 1 144 . 1 1 13 13 GLU C C 13 175.32 0.3 . 1 . . . . 13 GLU C . 15403 1 145 . 1 1 13 13 GLU CA C 13 55.58 0.3 . 1 . . . . 13 GLU CA . 15403 1 146 . 1 1 13 13 GLU CB C 13 34.41 0.3 . 1 . . . . 13 GLU CB . 15403 1 147 . 1 1 13 13 GLU CG C 13 36.49 0.3 . 1 . . . . 13 GLU CG . 15403 1 148 . 1 1 13 13 GLU N N 15 119.98 0.1 . 1 . . . . 13 GLU N . 15403 1 149 . 1 1 14 14 ILE H H 1 8.42 0.03 . 1 . . . . 14 ILE H . 15403 1 150 . 1 1 14 14 ILE HA H 1 4.21 0.03 . 1 . . . . 14 ILE HA . 15403 1 151 . 1 1 14 14 ILE HB H 1 0.61 0.03 . 1 . . . . 14 ILE HB . 15403 1 152 . 1 1 14 14 ILE HD11 H 1 -0.00 0.03 . 1 . . . . 14 ILE HD1 . 15403 1 153 . 1 1 14 14 ILE HD12 H 1 -0.00 0.03 . 1 . . . . 14 ILE HD1 . 15403 1 154 . 1 1 14 14 ILE HD13 H 1 -0.00 0.03 . 1 . . . . 14 ILE HD1 . 15403 1 155 . 1 1 14 14 ILE HG12 H 1 0.56 0.03 . 2 . . . . 14 ILE HG12 . 15403 1 156 . 1 1 14 14 ILE HG13 H 1 1.16 0.03 . 2 . . . . 14 ILE HG13 . 15403 1 157 . 1 1 14 14 ILE HG21 H 1 0.56 0.03 . 1 . . . . 14 ILE HG2 . 15403 1 158 . 1 1 14 14 ILE HG22 H 1 0.56 0.03 . 1 . . . . 14 ILE HG2 . 15403 1 159 . 1 1 14 14 ILE HG23 H 1 0.56 0.03 . 1 . . . . 14 ILE HG2 . 15403 1 160 . 1 1 14 14 ILE C C 13 174.52 0.3 . 1 . . . . 14 ILE C . 15403 1 161 . 1 1 14 14 ILE CA C 13 61.00 0.3 . 1 . . . . 14 ILE CA . 15403 1 162 . 1 1 14 14 ILE CB C 13 40.43 0.3 . 1 . . . . 14 ILE CB . 15403 1 163 . 1 1 14 14 ILE CD1 C 13 13.98 0.3 . 1 . . . . 14 ILE CD1 . 15403 1 164 . 1 1 14 14 ILE CG1 C 13 26.63 0.3 . 1 . . . . 14 ILE CG1 . 15403 1 165 . 1 1 14 14 ILE CG2 C 13 18.33 0.3 . 1 . . . . 14 ILE CG2 . 15403 1 166 . 1 1 14 14 ILE N N 15 123.99 0.1 . 1 . . . . 14 ILE N . 15403 1 167 . 1 1 15 15 LYS H H 1 9.59 0.03 . 1 . . . . 15 LYS H . 15403 1 168 . 1 1 15 15 LYS HA H 1 3.88 0.03 . 1 . . . . 15 LYS HA . 15403 1 169 . 1 1 15 15 LYS HB2 H 1 1.91 0.03 . 2 . . . . 15 LYS HB2 . 15403 1 170 . 1 1 15 15 LYS HB3 H 1 2.27 0.03 . 2 . . . . 15 LYS HB3 . 15403 1 171 . 1 1 15 15 LYS HD2 H 1 1.61 0.03 . 2 . . . . 15 LYS HD2 . 15403 1 172 . 1 1 15 15 LYS HD3 H 1 1.61 0.03 . 2 . . . . 15 LYS HD3 . 15403 1 173 . 1 1 15 15 LYS HE2 H 1 3.03 0.03 . 2 . . . . 15 LYS HE2 . 15403 1 174 . 1 1 15 15 LYS HE3 H 1 3.12 0.03 . 2 . . . . 15 LYS HE3 . 15403 1 175 . 1 1 15 15 LYS HG2 H 1 1.87 0.03 . 2 . . . . 15 LYS HG2 . 15403 1 176 . 1 1 15 15 LYS HG3 H 1 1.87 0.03 . 2 . . . . 15 LYS HG3 . 15403 1 177 . 1 1 15 15 LYS C C 13 176.88 0.3 . 1 . . . . 15 LYS C . 15403 1 178 . 1 1 15 15 LYS CA C 13 57.89 0.3 . 1 . . . . 15 LYS CA . 15403 1 179 . 1 1 15 15 LYS CB C 13 30.55 0.3 . 1 . . . . 15 LYS CB . 15403 1 180 . 1 1 15 15 LYS CD C 13 26.75 0.3 . 1 . . . . 15 LYS CD . 15403 1 181 . 1 1 15 15 LYS CE C 13 43.01 0.3 . 1 . . . . 15 LYS CE . 15403 1 182 . 1 1 15 15 LYS CG C 13 23.60 0.3 . 1 . . . . 15 LYS CG . 15403 1 183 . 1 1 15 15 LYS N N 15 124.93 0.1 . 1 . . . . 15 LYS N . 15403 1 184 . 1 1 16 16 GLY H H 1 8.73 0.03 . 1 . . . . 16 GLY H . 15403 1 185 . 1 1 16 16 GLY HA2 H 1 3.67 0.03 . 2 . . . . 16 GLY HA2 . 15403 1 186 . 1 1 16 16 GLY HA3 H 1 4.23 0.03 . 2 . . . . 16 GLY HA3 . 15403 1 187 . 1 1 16 16 GLY C C 13 174.36 0.3 . 1 . . . . 16 GLY C . 15403 1 188 . 1 1 16 16 GLY CA C 13 45.54 0.3 . 1 . . . . 16 GLY CA . 15403 1 189 . 1 1 16 16 GLY N N 15 104.58 0.1 . 1 . . . . 16 GLY N . 15403 1 190 . 1 1 17 17 THR H H 1 8.40 0.03 . 1 . . . . 17 THR H . 15403 1 191 . 1 1 17 17 THR HA H 1 4.49 0.03 . 1 . . . . 17 THR HA . 15403 1 192 . 1 1 17 17 THR HB H 1 4.44 0.03 . 1 . . . . 17 THR HB . 15403 1 193 . 1 1 17 17 THR HG21 H 1 1.47 0.03 . 1 . . . . 17 THR HG2 . 15403 1 194 . 1 1 17 17 THR HG22 H 1 1.47 0.03 . 1 . . . . 17 THR HG2 . 15403 1 195 . 1 1 17 17 THR HG23 H 1 1.47 0.03 . 1 . . . . 17 THR HG2 . 15403 1 196 . 1 1 17 17 THR C C 13 172.97 0.3 . 1 . . . . 17 THR C . 15403 1 197 . 1 1 17 17 THR CA C 13 62.58 0.3 . 1 . . . . 17 THR CA . 15403 1 198 . 1 1 17 17 THR CB C 13 70.32 0.3 . 1 . . . . 17 THR CB . 15403 1 199 . 1 1 17 17 THR CG2 C 13 22.09 0.3 . 1 . . . . 17 THR CG2 . 15403 1 200 . 1 1 17 17 THR N N 15 120.07 0.1 . 1 . . . . 17 THR N . 15403 1 201 . 1 1 18 18 LYS H H 1 8.75 0.03 . 1 . . . . 18 LYS H . 15403 1 202 . 1 1 18 18 LYS HA H 1 4.92 0.03 . 1 . . . . 18 LYS HA . 15403 1 203 . 1 1 18 18 LYS HB2 H 1 1.85 0.03 . 2 . . . . 18 LYS HB2 . 15403 1 204 . 1 1 18 18 LYS HB3 H 1 2.00 0.03 . 2 . . . . 18 LYS HB3 . 15403 1 205 . 1 1 18 18 LYS HD2 H 1 1.71 0.03 . 2 . . . . 18 LYS HD2 . 15403 1 206 . 1 1 18 18 LYS HD3 H 1 1.71 0.03 . 2 . . . . 18 LYS HD3 . 15403 1 207 . 1 1 18 18 LYS HE2 H 1 2.97 0.03 . 2 . . . . 18 LYS HE2 . 15403 1 208 . 1 1 18 18 LYS HE3 H 1 3.00 0.03 . 2 . . . . 18 LYS HE3 . 15403 1 209 . 1 1 18 18 LYS HG2 H 1 1.47 0.03 . 2 . . . . 18 LYS HG2 . 15403 1 210 . 1 1 18 18 LYS HG3 H 1 1.62 0.03 . 2 . . . . 18 LYS HG3 . 15403 1 211 . 1 1 18 18 LYS C C 13 175.86 0.3 . 1 . . . . 18 LYS C . 15403 1 212 . 1 1 18 18 LYS CA C 13 56.35 0.3 . 1 . . . . 18 LYS CA . 15403 1 213 . 1 1 18 18 LYS CB C 13 32.94 0.3 . 1 . . . . 18 LYS CB . 15403 1 214 . 1 1 18 18 LYS CD C 13 29.05 0.3 . 1 . . . . 18 LYS CD . 15403 1 215 . 1 1 18 18 LYS CE C 13 42.24 0.3 . 1 . . . . 18 LYS CE . 15403 1 216 . 1 1 18 18 LYS CG C 13 25.48 0.3 . 1 . . . . 18 LYS CG . 15403 1 217 . 1 1 18 18 LYS N N 15 127.27 0.1 . 1 . . . . 18 LYS N . 15403 1 218 . 1 1 19 19 LEU H H 1 8.75 0.03 . 1 . . . . 19 LEU H . 15403 1 219 . 1 1 19 19 LEU HA H 1 4.85 0.03 . 1 . . . . 19 LEU HA . 15403 1 220 . 1 1 19 19 LEU HB2 H 1 1.83 0.03 . 2 . . . . 19 LEU HB2 . 15403 1 221 . 1 1 19 19 LEU HB3 H 1 2.00 0.03 . 2 . . . . 19 LEU HB3 . 15403 1 222 . 1 1 19 19 LEU HD11 H 1 0.75 0.03 . 2 . . . . 19 LEU HD1 . 15403 1 223 . 1 1 19 19 LEU HD12 H 1 0.75 0.03 . 2 . . . . 19 LEU HD1 . 15403 1 224 . 1 1 19 19 LEU HD13 H 1 0.75 0.03 . 2 . . . . 19 LEU HD1 . 15403 1 225 . 1 1 19 19 LEU HD21 H 1 0.75 0.03 . 2 . . . . 19 LEU HD2 . 15403 1 226 . 1 1 19 19 LEU HD22 H 1 0.75 0.03 . 2 . . . . 19 LEU HD2 . 15403 1 227 . 1 1 19 19 LEU HD23 H 1 0.75 0.03 . 2 . . . . 19 LEU HD2 . 15403 1 228 . 1 1 19 19 LEU HG H 1 1.62 0.03 . 1 . . . . 19 LEU HG . 15403 1 229 . 1 1 19 19 LEU C C 13 174.21 0.3 . 1 . . . . 19 LEU C . 15403 1 230 . 1 1 19 19 LEU CA C 13 55.16 0.3 . 1 . . . . 19 LEU CA . 15403 1 231 . 1 1 19 19 LEU CB C 13 43.34 0.3 . 1 . . . . 19 LEU CB . 15403 1 232 . 1 1 19 19 LEU CD1 C 13 24.82 0.3 . 2 . . . . 19 LEU CD1 . 15403 1 233 . 1 1 19 19 LEU CD2 C 13 24.82 0.3 . 2 . . . . 19 LEU CD2 . 15403 1 234 . 1 1 19 19 LEU CG C 13 28.16 0.3 . 1 . . . . 19 LEU CG . 15403 1 235 . 1 1 19 19 LEU N N 15 123.47 0.1 . 1 . . . . 19 LEU N . 15403 1 236 . 1 1 20 20 LYS H H 1 8.66 0.03 . 1 . . . . 20 LYS H . 15403 1 237 . 1 1 20 20 LYS HA H 1 5.18 0.03 . 1 . . . . 20 LYS HA . 15403 1 238 . 1 1 20 20 LYS HB2 H 1 1.62 0.03 . 2 . . . . 20 LYS HB2 . 15403 1 239 . 1 1 20 20 LYS HB3 H 1 1.99 0.03 . 2 . . . . 20 LYS HB3 . 15403 1 240 . 1 1 20 20 LYS HD2 H 1 1.51 0.03 . 2 . . . . 20 LYS HD2 . 15403 1 241 . 1 1 20 20 LYS HD3 H 1 1.71 0.03 . 2 . . . . 20 LYS HD3 . 15403 1 242 . 1 1 20 20 LYS HE2 H 1 2.99 0.03 . 2 . . . . 20 LYS HE2 . 15403 1 243 . 1 1 20 20 LYS HE3 H 1 2.99 0.03 . 2 . . . . 20 LYS HE3 . 15403 1 244 . 1 1 20 20 LYS HG2 H 1 1.51 0.03 . 2 . . . . 20 LYS HG2 . 15403 1 245 . 1 1 20 20 LYS HG3 H 1 1.59 0.03 . 2 . . . . 20 LYS HG3 . 15403 1 246 . 1 1 20 20 LYS C C 13 175.65 0.3 . 1 . . . . 20 LYS C . 15403 1 247 . 1 1 20 20 LYS CA C 13 54.63 0.3 . 1 . . . . 20 LYS CA . 15403 1 248 . 1 1 20 20 LYS CB C 13 34.71 0.3 . 1 . . . . 20 LYS CB . 15403 1 249 . 1 1 20 20 LYS CD C 13 28.68 0.3 . 1 . . . . 20 LYS CD . 15403 1 250 . 1 1 20 20 LYS CE C 13 42.31 0.3 . 1 . . . . 20 LYS CE . 15403 1 251 . 1 1 20 20 LYS CG C 13 25.09 0.3 . 1 . . . . 20 LYS CG . 15403 1 252 . 1 1 20 20 LYS N N 15 118.32 0.1 . 1 . . . . 20 LYS N . 15403 1 253 . 1 1 21 21 ALA H H 1 8.86 0.03 . 1 . . . . 21 ALA H . 15403 1 254 . 1 1 21 21 ALA HA H 1 5.47 0.03 . 1 . . . . 21 ALA HA . 15403 1 255 . 1 1 21 21 ALA HB1 H 1 1.22 0.03 . 1 . . . . 21 ALA HB . 15403 1 256 . 1 1 21 21 ALA HB2 H 1 1.22 0.03 . 1 . . . . 21 ALA HB . 15403 1 257 . 1 1 21 21 ALA HB3 H 1 1.22 0.03 . 1 . . . . 21 ALA HB . 15403 1 258 . 1 1 21 21 ALA C C 13 174.74 0.3 . 1 . . . . 21 ALA C . 15403 1 259 . 1 1 21 21 ALA CA C 13 49.51 0.3 . 1 . . . . 21 ALA CA . 15403 1 260 . 1 1 21 21 ALA CB C 13 22.99 0.3 . 1 . . . . 21 ALA CB . 15403 1 261 . 1 1 21 21 ALA N N 15 120.46 0.1 . 1 . . . . 21 ALA N . 15403 1 262 . 1 1 22 22 HIS H H 1 9.14 0.03 . 1 . . . . 22 HIS H . 15403 1 263 . 1 1 22 22 HIS HA H 1 5.07 0.03 . 1 . . . . 22 HIS HA . 15403 1 264 . 1 1 22 22 HIS HB2 H 1 2.87 0.03 . 2 . . . . 22 HIS HB2 . 15403 1 265 . 1 1 22 22 HIS HB3 H 1 3.02 0.03 . 2 . . . . 22 HIS HB3 . 15403 1 266 . 1 1 22 22 HIS HD2 H 1 6.26 0.03 . 1 . . . . 22 HIS HD2 . 15403 1 267 . 1 1 22 22 HIS HE1 H 1 7.42 0.03 . 1 . . . . 22 HIS HE1 . 15403 1 268 . 1 1 22 22 HIS C C 13 174.31 0.3 . 1 . . . . 22 HIS C . 15403 1 269 . 1 1 22 22 HIS CA C 13 54.04 0.3 . 1 . . . . 22 HIS CA . 15403 1 270 . 1 1 22 22 HIS CB C 13 32.39 0.3 . 1 . . . . 22 HIS CB . 15403 1 271 . 1 1 22 22 HIS CD2 C 13 119.92 0.3 . 1 . . . . 22 HIS CD2 . 15403 1 272 . 1 1 22 22 HIS N N 15 119.89 0.1 . 1 . . . . 22 HIS N . 15403 1 273 . 1 1 23 23 TRP H H 1 9.16 0.03 . 1 . . . . 23 TRP H . 15403 1 274 . 1 1 23 23 TRP HA H 1 4.36 0.03 . 1 . . . . 23 TRP HA . 15403 1 275 . 1 1 23 23 TRP HB2 H 1 2.83 0.03 . 2 . . . . 23 TRP HB2 . 15403 1 276 . 1 1 23 23 TRP HB3 H 1 3.25 0.03 . 2 . . . . 23 TRP HB3 . 15403 1 277 . 1 1 23 23 TRP HD1 H 1 6.84 0.03 . 1 . . . . 23 TRP HD1 . 15403 1 278 . 1 1 23 23 TRP HE1 H 1 10.45 0.03 . 1 . . . . 23 TRP HE1 . 15403 1 279 . 1 1 23 23 TRP HE3 H 1 7.38 0.03 . 1 . . . . 23 TRP HE3 . 15403 1 280 . 1 1 23 23 TRP HH2 H 1 7.12 0.03 . 1 . . . . 23 TRP HH2 . 15403 1 281 . 1 1 23 23 TRP HZ2 H 1 7.41 0.03 . 1 . . . . 23 TRP HZ2 . 15403 1 282 . 1 1 23 23 TRP HZ3 H 1 7.05 0.03 . 1 . . . . 23 TRP HZ3 . 15403 1 283 . 1 1 23 23 TRP C C 13 175.07 0.3 . 1 . . . . 23 TRP C . 15403 1 284 . 1 1 23 23 TRP CA C 13 59.16 0.3 . 1 . . . . 23 TRP CA . 15403 1 285 . 1 1 23 23 TRP CB C 13 30.71 0.3 . 1 . . . . 23 TRP CB . 15403 1 286 . 1 1 23 23 TRP CD1 C 13 126.31 0.3 . 1 . . . . 23 TRP CD1 . 15403 1 287 . 1 1 23 23 TRP CE3 C 13 120.52 0.3 . 1 . . . . 23 TRP CE3 . 15403 1 288 . 1 1 23 23 TRP CH2 C 13 124.40 0.3 . 1 . . . . 23 TRP CH2 . 15403 1 289 . 1 1 23 23 TRP CZ2 C 13 114.48 0.3 . 1 . . . . 23 TRP CZ2 . 15403 1 290 . 1 1 23 23 TRP CZ3 C 13 122.08 0.3 . 1 . . . . 23 TRP CZ3 . 15403 1 291 . 1 1 23 23 TRP N N 15 126.61 0.1 . 1 . . . . 23 TRP N . 15403 1 292 . 1 1 23 23 TRP NE1 N 15 129.34 0.1 . 1 . . . . 23 TRP NE1 . 15403 1 293 . 1 1 24 24 ASP H H 1 7.72 0.03 . 1 . . . . 24 ASP H . 15403 1 294 . 1 1 24 24 ASP HA H 1 4.88 0.03 . 1 . . . . 24 ASP HA . 15403 1 295 . 1 1 24 24 ASP HB2 H 1 2.34 0.03 . 2 . . . . 24 ASP HB2 . 15403 1 296 . 1 1 24 24 ASP HB3 H 1 2.70 0.03 . 2 . . . . 24 ASP HB3 . 15403 1 297 . 1 1 24 24 ASP C C 13 175.34 0.3 . 1 . . . . 24 ASP C . 15403 1 298 . 1 1 24 24 ASP CA C 13 53.03 0.3 . 1 . . . . 24 ASP CA . 15403 1 299 . 1 1 24 24 ASP CB C 13 43.51 0.3 . 1 . . . . 24 ASP CB . 15403 1 300 . 1 1 24 24 ASP N N 15 126.75 0.1 . 1 . . . . 24 ASP N . 15403 1 301 . 1 1 25 25 SER H H 1 8.49 0.03 . 1 . . . . 25 SER H . 15403 1 302 . 1 1 25 25 SER HA H 1 3.58 0.03 . 1 . . . . 25 SER HA . 15403 1 303 . 1 1 25 25 SER HB2 H 1 3.90 0.03 . 2 . . . . 25 SER HB2 . 15403 1 304 . 1 1 25 25 SER HB3 H 1 3.96 0.03 . 2 . . . . 25 SER HB3 . 15403 1 305 . 1 1 25 25 SER C C 13 175.34 0.3 . 1 . . . . 25 SER C . 15403 1 306 . 1 1 25 25 SER CA C 13 60.64 0.3 . 1 . . . . 25 SER CA . 15403 1 307 . 1 1 25 25 SER CB C 13 62.99 0.3 . 1 . . . . 25 SER CB . 15403 1 308 . 1 1 25 25 SER N N 15 119.22 0.1 . 1 . . . . 25 SER N . 15403 1 309 . 1 1 26 26 GLY H H 1 8.67 0.03 . 1 . . . . 26 GLY H . 15403 1 310 . 1 1 26 26 GLY HA2 H 1 3.63 0.03 . 2 . . . . 26 GLY HA2 . 15403 1 311 . 1 1 26 26 GLY HA3 H 1 4.20 0.03 . 2 . . . . 26 GLY HA3 . 15403 1 312 . 1 1 26 26 GLY C C 13 174.19 0.3 . 1 . . . . 26 GLY C . 15403 1 313 . 1 1 26 26 GLY CA C 13 44.76 0.3 . 1 . . . . 26 GLY CA . 15403 1 314 . 1 1 26 26 GLY N N 15 109.29 0.1 . 1 . . . . 26 GLY N . 15403 1 315 . 1 1 27 27 ALA H H 1 7.55 0.03 . 1 . . . . 27 ALA H . 15403 1 316 . 1 1 27 27 ALA HA H 1 4.37 0.03 . 1 . . . . 27 ALA HA . 15403 1 317 . 1 1 27 27 ALA HB1 H 1 1.34 0.03 . 1 . . . . 27 ALA HB . 15403 1 318 . 1 1 27 27 ALA HB2 H 1 1.34 0.03 . 1 . . . . 27 ALA HB . 15403 1 319 . 1 1 27 27 ALA HB3 H 1 1.34 0.03 . 1 . . . . 27 ALA HB . 15403 1 320 . 1 1 27 27 ALA C C 13 178.43 0.3 . 1 . . . . 27 ALA C . 15403 1 321 . 1 1 27 27 ALA CA C 13 52.24 0.3 . 1 . . . . 27 ALA CA . 15403 1 322 . 1 1 27 27 ALA CB C 13 18.24 0.3 . 1 . . . . 27 ALA CB . 15403 1 323 . 1 1 27 27 ALA N N 15 124.84 0.1 . 1 . . . . 27 ALA N . 15403 1 324 . 1 1 28 28 THR H H 1 8.26 0.03 . 1 . . . . 28 THR H . 15403 1 325 . 1 1 28 28 THR HA H 1 4.23 0.03 . 1 . . . . 28 THR HA . 15403 1 326 . 1 1 28 28 THR HB H 1 4.34 0.03 . 1 . . . . 28 THR HB . 15403 1 327 . 1 1 28 28 THR HG21 H 1 1.22 0.03 . 1 . . . . 28 THR HG2 . 15403 1 328 . 1 1 28 28 THR HG22 H 1 1.22 0.03 . 1 . . . . 28 THR HG2 . 15403 1 329 . 1 1 28 28 THR HG23 H 1 1.22 0.03 . 1 . . . . 28 THR HG2 . 15403 1 330 . 1 1 28 28 THR C C 13 173.83 0.3 . 1 . . . . 28 THR C . 15403 1 331 . 1 1 28 28 THR CA C 13 62.18 0.3 . 1 . . . . 28 THR CA . 15403 1 332 . 1 1 28 28 THR CB C 13 69.24 0.3 . 1 . . . . 28 THR CB . 15403 1 333 . 1 1 28 28 THR N N 15 112.48 0.1 . 1 . . . . 28 THR N . 15403 1 334 . 1 1 29 29 ILE H H 1 7.46 0.03 . 1 . . . . 29 ILE H . 15403 1 335 . 1 1 29 29 ILE HA H 1 4.54 0.03 . 1 . . . . 29 ILE HA . 15403 1 336 . 1 1 29 29 ILE HB H 1 1.81 0.03 . 1 . . . . 29 ILE HB . 15403 1 337 . 1 1 29 29 ILE HD11 H 1 0.85 0.03 . 1 . . . . 29 ILE HD1 . 15403 1 338 . 1 1 29 29 ILE HD12 H 1 0.85 0.03 . 1 . . . . 29 ILE HD1 . 15403 1 339 . 1 1 29 29 ILE HD13 H 1 0.85 0.03 . 1 . . . . 29 ILE HD1 . 15403 1 340 . 1 1 29 29 ILE HG12 H 1 1.41 0.03 . 2 . . . . 29 ILE HG12 . 15403 1 341 . 1 1 29 29 ILE HG13 H 1 1.75 0.03 . 2 . . . . 29 ILE HG13 . 15403 1 342 . 1 1 29 29 ILE HG21 H 1 0.85 0.03 . 1 . . . . 29 ILE HG2 . 15403 1 343 . 1 1 29 29 ILE HG22 H 1 0.85 0.03 . 1 . . . . 29 ILE HG2 . 15403 1 344 . 1 1 29 29 ILE HG23 H 1 0.85 0.03 . 1 . . . . 29 ILE HG2 . 15403 1 345 . 1 1 29 29 ILE C C 13 173.44 0.3 . 1 . . . . 29 ILE C . 15403 1 346 . 1 1 29 29 ILE CA C 13 60.54 0.3 . 1 . . . . 29 ILE CA . 15403 1 347 . 1 1 29 29 ILE CB C 13 40.78 0.3 . 1 . . . . 29 ILE CB . 15403 1 348 . 1 1 29 29 ILE CD1 C 13 14.41 0.3 . 1 . . . . 29 ILE CD1 . 15403 1 349 . 1 1 29 29 ILE CG1 C 13 28.58 0.3 . 1 . . . . 29 ILE CG1 . 15403 1 350 . 1 1 29 29 ILE CG2 C 13 15.89 0.3 . 1 . . . . 29 ILE CG2 . 15403 1 351 . 1 1 29 29 ILE N N 15 118.82 0.1 . 1 . . . . 29 ILE N . 15403 1 352 . 1 1 30 30 THR H H 1 9.38 0.03 . 1 . . . . 30 THR H . 15403 1 353 . 1 1 30 30 THR HA H 1 4.87 0.03 . 1 . . . . 30 THR HA . 15403 1 354 . 1 1 30 30 THR HB H 1 4.31 0.03 . 1 . . . . 30 THR HB . 15403 1 355 . 1 1 30 30 THR HG21 H 1 1.15 0.03 . 1 . . . . 30 THR HG2 . 15403 1 356 . 1 1 30 30 THR HG22 H 1 1.15 0.03 . 1 . . . . 30 THR HG2 . 15403 1 357 . 1 1 30 30 THR HG23 H 1 1.15 0.03 . 1 . . . . 30 THR HG2 . 15403 1 358 . 1 1 30 30 THR C C 13 173.60 0.3 . 1 . . . . 30 THR C . 15403 1 359 . 1 1 30 30 THR CA C 13 64.28 0.3 . 1 . . . . 30 THR CA . 15403 1 360 . 1 1 30 30 THR CB C 13 69.84 0.3 . 1 . . . . 30 THR CB . 15403 1 361 . 1 1 30 30 THR N N 15 129.29 0.1 . 1 . . . . 30 THR N . 15403 1 362 . 1 1 31 31 CYS H H 1 9.18 0.03 . 1 . . . . 31 CYS H . 15403 1 363 . 1 1 31 31 CYS HA H 1 5.53 0.03 . 1 . . . . 31 CYS HA . 15403 1 364 . 1 1 31 31 CYS HB2 H 1 2.63 0.03 . 2 . . . . 31 CYS HB2 . 15403 1 365 . 1 1 31 31 CYS HB3 H 1 3.01 0.03 . 2 . . . . 31 CYS HB3 . 15403 1 366 . 1 1 31 31 CYS C C 13 174.42 0.3 . 1 . . . . 31 CYS C . 15403 1 367 . 1 1 31 31 CYS CA C 13 56.54 0.3 . 1 . . . . 31 CYS CA . 15403 1 368 . 1 1 31 31 CYS CB C 13 30.78 0.3 . 1 . . . . 31 CYS CB . 15403 1 369 . 1 1 31 31 CYS N N 15 122.22 0.1 . 1 . . . . 31 CYS N . 15403 1 370 . 1 1 32 32 VAL H H 1 9.09 0.03 . 1 . . . . 32 VAL H . 15403 1 371 . 1 1 32 32 VAL HA H 1 4.71 0.03 . 1 . . . . 32 VAL HA . 15403 1 372 . 1 1 32 32 VAL HB H 1 1.63 0.03 . 1 . . . . 32 VAL HB . 15403 1 373 . 1 1 32 32 VAL HG11 H 1 0.52 0.03 . 2 . . . . 32 VAL HG1 . 15403 1 374 . 1 1 32 32 VAL HG12 H 1 0.52 0.03 . 2 . . . . 32 VAL HG1 . 15403 1 375 . 1 1 32 32 VAL HG13 H 1 0.52 0.03 . 2 . . . . 32 VAL HG1 . 15403 1 376 . 1 1 32 32 VAL HG21 H 1 0.40 0.03 . 2 . . . . 32 VAL HG2 . 15403 1 377 . 1 1 32 32 VAL HG22 H 1 0.40 0.03 . 2 . . . . 32 VAL HG2 . 15403 1 378 . 1 1 32 32 VAL HG23 H 1 0.40 0.03 . 2 . . . . 32 VAL HG2 . 15403 1 379 . 1 1 32 32 VAL CA C 13 57.30 0.3 . 1 . . . . 32 VAL CA . 15403 1 380 . 1 1 32 32 VAL CB C 13 32.86 0.3 . 1 . . . . 32 VAL CB . 15403 1 381 . 1 1 32 32 VAL CG1 C 13 19.32 0.3 . 2 . . . . 32 VAL CG1 . 15403 1 382 . 1 1 32 32 VAL CG2 C 13 20.54 0.3 . 2 . . . . 32 VAL CG2 . 15403 1 383 . 1 1 32 32 VAL N N 15 117.89 0.1 . 1 . . . . 32 VAL N . 15403 1 384 . 1 1 33 33 PRO HA H 1 4.53 0.03 . 1 . . . . 33 PRO HA . 15403 1 385 . 1 1 33 33 PRO HB2 H 1 2.05 0.03 . 2 . . . . 33 PRO HB2 . 15403 1 386 . 1 1 33 33 PRO HB3 H 1 2.68 0.03 . 2 . . . . 33 PRO HB3 . 15403 1 387 . 1 1 33 33 PRO HD2 H 1 3.13 0.03 . 2 . . . . 33 PRO HD2 . 15403 1 388 . 1 1 33 33 PRO HD3 H 1 3.35 0.03 . 2 . . . . 33 PRO HD3 . 15403 1 389 . 1 1 33 33 PRO HG2 H 1 1.82 0.03 . 2 . . . . 33 PRO HG2 . 15403 1 390 . 1 1 33 33 PRO HG3 H 1 1.86 0.03 . 2 . . . . 33 PRO HG3 . 15403 1 391 . 1 1 33 33 PRO C C 13 178.11 0.3 . 1 . . . . 33 PRO C . 15403 1 392 . 1 1 33 33 PRO CA C 13 64.14 0.3 . 1 . . . . 33 PRO CA . 15403 1 393 . 1 1 33 33 PRO CB C 13 32.20 0.3 . 1 . . . . 33 PRO CB . 15403 1 394 . 1 1 33 33 PRO CD C 13 50.77 0.3 . 1 . . . . 33 PRO CD . 15403 1 395 . 1 1 33 33 PRO CG C 13 27.28 0.3 . 1 . . . . 33 PRO CG . 15403 1 396 . 1 1 34 34 GLU H H 1 8.38 0.03 . 1 . . . . 34 GLU H . 15403 1 397 . 1 1 34 34 GLU HA H 1 3.73 0.03 . 1 . . . . 34 GLU HA . 15403 1 398 . 1 1 34 34 GLU HB2 H 1 1.94 0.03 . 2 . . . . 34 GLU HB2 . 15403 1 399 . 1 1 34 34 GLU HB3 H 1 2.02 0.03 . 2 . . . . 34 GLU HB3 . 15403 1 400 . 1 1 34 34 GLU HG2 H 1 2.14 0.03 . 2 . . . . 34 GLU HG2 . 15403 1 401 . 1 1 34 34 GLU HG3 H 1 2.29 0.03 . 2 . . . . 34 GLU HG3 . 15403 1 402 . 1 1 34 34 GLU C C 13 177.83 0.3 . 1 . . . . 34 GLU C . 15403 1 403 . 1 1 34 34 GLU CA C 13 59.48 0.3 . 1 . . . . 34 GLU CA . 15403 1 404 . 1 1 34 34 GLU CB C 13 29.86 0.3 . 1 . . . . 34 GLU CB . 15403 1 405 . 1 1 34 34 GLU CG C 13 34.75 0.3 . 1 . . . . 34 GLU CG . 15403 1 406 . 1 1 34 34 GLU N N 15 122.20 0.1 . 1 . . . . 34 GLU N . 15403 1 407 . 1 1 35 35 ALA H H 1 9.05 0.03 . 1 . . . . 35 ALA H . 15403 1 408 . 1 1 35 35 ALA HA H 1 4.03 0.03 . 1 . . . . 35 ALA HA . 15403 1 409 . 1 1 35 35 ALA HB1 H 1 0.98 0.03 . 1 . . . . 35 ALA HB . 15403 1 410 . 1 1 35 35 ALA HB2 H 1 0.98 0.03 . 1 . . . . 35 ALA HB . 15403 1 411 . 1 1 35 35 ALA HB3 H 1 0.98 0.03 . 1 . . . . 35 ALA HB . 15403 1 412 . 1 1 35 35 ALA C C 13 180.25 0.3 . 1 . . . . 35 ALA C . 15403 1 413 . 1 1 35 35 ALA CA C 13 54.85 0.3 . 1 . . . . 35 ALA CA . 15403 1 414 . 1 1 35 35 ALA CB C 13 18.16 0.3 . 1 . . . . 35 ALA CB . 15403 1 415 . 1 1 35 35 ALA N N 15 123.09 0.1 . 1 . . . . 35 ALA N . 15403 1 416 . 1 1 36 36 PHE H H 1 7.51 0.03 . 1 . . . . 36 PHE H . 15403 1 417 . 1 1 36 36 PHE HA H 1 4.37 0.03 . 1 . . . . 36 PHE HA . 15403 1 418 . 1 1 36 36 PHE HB2 H 1 2.55 0.03 . 2 . . . . 36 PHE HB2 . 15403 1 419 . 1 1 36 36 PHE HB3 H 1 3.20 0.03 . 2 . . . . 36 PHE HB3 . 15403 1 420 . 1 1 36 36 PHE HD1 H 1 7.32 0.03 . 1 . . . . 36 PHE HD1 . 15403 1 421 . 1 1 36 36 PHE HD2 H 1 7.32 0.03 . 1 . . . . 36 PHE HD2 . 15403 1 422 . 1 1 36 36 PHE HE1 H 1 7.38 0.03 . 1 . . . . 36 PHE HE1 . 15403 1 423 . 1 1 36 36 PHE HE2 H 1 7.38 0.03 . 1 . . . . 36 PHE HE2 . 15403 1 424 . 1 1 36 36 PHE HZ H 1 7.29 0.03 . 1 . . . . 36 PHE HZ . 15403 1 425 . 1 1 36 36 PHE C C 13 174.87 0.3 . 1 . . . . 36 PHE C . 15403 1 426 . 1 1 36 36 PHE CA C 13 60.16 0.3 . 1 . . . . 36 PHE CA . 15403 1 427 . 1 1 36 36 PHE CB C 13 38.93 0.3 . 1 . . . . 36 PHE CB . 15403 1 428 . 1 1 36 36 PHE CD1 C 13 132.04 0.3 . 1 . . . . 36 PHE CD1 . 15403 1 429 . 1 1 36 36 PHE CD2 C 13 132.04 0.3 . 1 . . . . 36 PHE CD2 . 15403 1 430 . 1 1 36 36 PHE CE1 C 13 131.57 0.3 . 1 . . . . 36 PHE CE1 . 15403 1 431 . 1 1 36 36 PHE CE2 C 13 131.57 0.3 . 1 . . . . 36 PHE CE2 . 15403 1 432 . 1 1 36 36 PHE CZ C 13 129.62 0.3 . 1 . . . . 36 PHE CZ . 15403 1 433 . 1 1 36 36 PHE N N 15 112.03 0.1 . 1 . . . . 36 PHE N . 15403 1 434 . 1 1 37 37 LEU H H 1 7.64 0.03 . 1 . . . . 37 LEU H . 15403 1 435 . 1 1 37 37 LEU HA H 1 4.23 0.03 . 1 . . . . 37 LEU HA . 15403 1 436 . 1 1 37 37 LEU HB2 H 1 0.74 0.03 . 2 . . . . 37 LEU HB2 . 15403 1 437 . 1 1 37 37 LEU HB3 H 1 1.23 0.03 . 2 . . . . 37 LEU HB3 . 15403 1 438 . 1 1 37 37 LEU HD11 H 1 0.25 0.03 . 2 . . . . 37 LEU HD1 . 15403 1 439 . 1 1 37 37 LEU HD12 H 1 0.25 0.03 . 2 . . . . 37 LEU HD1 . 15403 1 440 . 1 1 37 37 LEU HD13 H 1 0.25 0.03 . 2 . . . . 37 LEU HD1 . 15403 1 441 . 1 1 37 37 LEU HD21 H 1 0.28 0.03 . 2 . . . . 37 LEU HD2 . 15403 1 442 . 1 1 37 37 LEU HD22 H 1 0.28 0.03 . 2 . . . . 37 LEU HD2 . 15403 1 443 . 1 1 37 37 LEU HD23 H 1 0.28 0.03 . 2 . . . . 37 LEU HD2 . 15403 1 444 . 1 1 37 37 LEU HG H 1 1.04 0.03 . 1 . . . . 37 LEU HG . 15403 1 445 . 1 1 37 37 LEU C C 13 177.38 0.3 . 1 . . . . 37 LEU C . 15403 1 446 . 1 1 37 37 LEU CA C 13 53.08 0.3 . 1 . . . . 37 LEU CA . 15403 1 447 . 1 1 37 37 LEU CB C 13 41.05 0.3 . 1 . . . . 37 LEU CB . 15403 1 448 . 1 1 37 37 LEU CD1 C 13 24.80 0.3 . 2 . . . . 37 LEU CD1 . 15403 1 449 . 1 1 37 37 LEU CD2 C 13 22.37 0.3 . 2 . . . . 37 LEU CD2 . 15403 1 450 . 1 1 37 37 LEU CG C 13 26.10 0.3 . 1 . . . . 37 LEU CG . 15403 1 451 . 1 1 37 37 LEU N N 15 116.80 0.1 . 1 . . . . 37 LEU N . 15403 1 452 . 1 1 38 38 GLU H H 1 7.05 0.03 . 1 . . . . 38 GLU H . 15403 1 453 . 1 1 38 38 GLU HA H 1 3.98 0.03 . 1 . . . . 38 GLU HA . 15403 1 454 . 1 1 38 38 GLU HB2 H 1 1.96 0.03 . 2 . . . . 38 GLU HB2 . 15403 1 455 . 1 1 38 38 GLU HB3 H 1 1.96 0.03 . 2 . . . . 38 GLU HB3 . 15403 1 456 . 1 1 38 38 GLU HG2 H 1 2.27 0.03 . 2 . . . . 38 GLU HG2 . 15403 1 457 . 1 1 38 38 GLU HG3 H 1 2.35 0.03 . 2 . . . . 38 GLU HG3 . 15403 1 458 . 1 1 38 38 GLU C C 13 176.63 0.3 . 1 . . . . 38 GLU C . 15403 1 459 . 1 1 38 38 GLU CA C 13 59.25 0.3 . 1 . . . . 38 GLU CA . 15403 1 460 . 1 1 38 38 GLU CB C 13 29.87 0.3 . 1 . . . . 38 GLU CB . 15403 1 461 . 1 1 38 38 GLU CG C 13 35.84 0.3 . 1 . . . . 38 GLU CG . 15403 1 462 . 1 1 38 38 GLU N N 15 121.26 0.1 . 1 . . . . 38 GLU N . 15403 1 463 . 1 1 39 39 ASP H H 1 8.69 0.03 . 1 . . . . 39 ASP H . 15403 1 464 . 1 1 39 39 ASP HA H 1 4.70 0.03 . 1 . . . . 39 ASP HA . 15403 1 465 . 1 1 39 39 ASP HB2 H 1 2.79 0.03 . 2 . . . . 39 ASP HB2 . 15403 1 466 . 1 1 39 39 ASP HB3 H 1 2.81 0.03 . 2 . . . . 39 ASP HB3 . 15403 1 467 . 1 1 39 39 ASP C C 13 175.57 0.3 . 1 . . . . 39 ASP C . 15403 1 468 . 1 1 39 39 ASP CA C 13 53.76 0.3 . 1 . . . . 39 ASP CA . 15403 1 469 . 1 1 39 39 ASP CB C 13 40.01 0.3 . 1 . . . . 39 ASP CB . 15403 1 470 . 1 1 39 39 ASP N N 15 115.59 0.1 . 1 . . . . 39 ASP N . 15403 1 471 . 1 1 40 40 GLU H H 1 7.46 0.03 . 1 . . . . 40 GLU H . 15403 1 472 . 1 1 40 40 GLU HA H 1 4.72 0.03 . 1 . . . . 40 GLU HA . 15403 1 473 . 1 1 40 40 GLU HB2 H 1 1.90 0.03 . 2 . . . . 40 GLU HB2 . 15403 1 474 . 1 1 40 40 GLU HB3 H 1 1.96 0.03 . 2 . . . . 40 GLU HB3 . 15403 1 475 . 1 1 40 40 GLU HG2 H 1 2.33 0.03 . 2 . . . . 40 GLU HG2 . 15403 1 476 . 1 1 40 40 GLU HG3 H 1 2.42 0.03 . 2 . . . . 40 GLU HG3 . 15403 1 477 . 1 1 40 40 GLU C C 13 175.66 0.3 . 1 . . . . 40 GLU C . 15403 1 478 . 1 1 40 40 GLU CA C 13 54.24 0.3 . 1 . . . . 40 GLU CA . 15403 1 479 . 1 1 40 40 GLU CB C 13 31.24 0.3 . 1 . . . . 40 GLU CB . 15403 1 480 . 1 1 40 40 GLU CG C 13 36.46 0.3 . 1 . . . . 40 GLU CG . 15403 1 481 . 1 1 40 40 GLU N N 15 118.21 0.1 . 1 . . . . 40 GLU N . 15403 1 482 . 1 1 41 41 ARG H H 1 9.13 0.03 . 1 . . . . 41 ARG H . 15403 1 483 . 1 1 41 41 ARG HA H 1 5.08 0.03 . 1 . . . . 41 ARG HA . 15403 1 484 . 1 1 41 41 ARG HB2 H 1 1.80 0.03 . 2 . . . . 41 ARG HB2 . 15403 1 485 . 1 1 41 41 ARG HB3 H 1 1.88 0.03 . 2 . . . . 41 ARG HB3 . 15403 1 486 . 1 1 41 41 ARG HD2 H 1 3.29 0.03 . 2 . . . . 41 ARG HD2 . 15403 1 487 . 1 1 41 41 ARG HD3 H 1 3.29 0.03 . 2 . . . . 41 ARG HD3 . 15403 1 488 . 1 1 41 41 ARG HG2 H 1 1.75 0.03 . 2 . . . . 41 ARG HG2 . 15403 1 489 . 1 1 41 41 ARG HG3 H 1 1.75 0.03 . 2 . . . . 41 ARG HG3 . 15403 1 490 . 1 1 41 41 ARG CA C 13 52.54 0.3 . 1 . . . . 41 ARG CA . 15403 1 491 . 1 1 41 41 ARG CB C 13 31.24 0.3 . 1 . . . . 41 ARG CB . 15403 1 492 . 1 1 41 41 ARG CD C 13 43.16 0.3 . 1 . . . . 41 ARG CD . 15403 1 493 . 1 1 41 41 ARG CG C 13 26.55 0.3 . 1 . . . . 41 ARG CG . 15403 1 494 . 1 1 41 41 ARG N N 15 121.83 0.1 . 1 . . . . 41 ARG N . 15403 1 495 . 1 1 42 42 PRO HA H 1 3.84 0.03 . 1 . . . . 42 PRO HA . 15403 1 496 . 1 1 42 42 PRO HB2 H 1 1.33 0.03 . 2 . . . . 42 PRO HB2 . 15403 1 497 . 1 1 42 42 PRO HB3 H 1 1.65 0.03 . 2 . . . . 42 PRO HB3 . 15403 1 498 . 1 1 42 42 PRO HD2 H 1 3.68 0.03 . 2 . . . . 42 PRO HD2 . 15403 1 499 . 1 1 42 42 PRO HD3 H 1 3.90 0.03 . 2 . . . . 42 PRO HD3 . 15403 1 500 . 1 1 42 42 PRO HG2 H 1 1.61 0.03 . 2 . . . . 42 PRO HG2 . 15403 1 501 . 1 1 42 42 PRO HG3 H 1 1.84 0.03 . 2 . . . . 42 PRO HG3 . 15403 1 502 . 1 1 42 42 PRO C C 13 177.18 0.3 . 1 . . . . 42 PRO C . 15403 1 503 . 1 1 42 42 PRO CA C 13 63.01 0.3 . 1 . . . . 42 PRO CA . 15403 1 504 . 1 1 42 42 PRO CB C 13 32.49 0.3 . 1 . . . . 42 PRO CB . 15403 1 505 . 1 1 42 42 PRO CD C 13 50.67 0.3 . 1 . . . . 42 PRO CD . 15403 1 506 . 1 1 42 42 PRO CG C 13 26.59 0.3 . 1 . . . . 42 PRO CG . 15403 1 507 . 1 1 43 43 ILE H H 1 9.11 0.03 . 1 . . . . 43 ILE H . 15403 1 508 . 1 1 43 43 ILE HA H 1 4.41 0.03 . 1 . . . . 43 ILE HA . 15403 1 509 . 1 1 43 43 ILE HB H 1 1.96 0.03 . 1 . . . . 43 ILE HB . 15403 1 510 . 1 1 43 43 ILE HD11 H 1 0.89 0.03 . 1 . . . . 43 ILE HD1 . 15403 1 511 . 1 1 43 43 ILE HD12 H 1 0.89 0.03 . 1 . . . . 43 ILE HD1 . 15403 1 512 . 1 1 43 43 ILE HD13 H 1 0.89 0.03 . 1 . . . . 43 ILE HD1 . 15403 1 513 . 1 1 43 43 ILE HG12 H 1 1.03 0.03 . 2 . . . . 43 ILE HG12 . 15403 1 514 . 1 1 43 43 ILE HG13 H 1 1.33 0.03 . 2 . . . . 43 ILE HG13 . 15403 1 515 . 1 1 43 43 ILE HG21 H 1 1.06 0.03 . 1 . . . . 43 ILE HG2 . 15403 1 516 . 1 1 43 43 ILE HG22 H 1 1.06 0.03 . 1 . . . . 43 ILE HG2 . 15403 1 517 . 1 1 43 43 ILE HG23 H 1 1.06 0.03 . 1 . . . . 43 ILE HG2 . 15403 1 518 . 1 1 43 43 ILE C C 13 176.22 0.3 . 1 . . . . 43 ILE C . 15403 1 519 . 1 1 43 43 ILE CA C 13 61.48 0.3 . 1 . . . . 43 ILE CA . 15403 1 520 . 1 1 43 43 ILE CB C 13 39.51 0.3 . 1 . . . . 43 ILE CB . 15403 1 521 . 1 1 43 43 ILE CD1 C 13 14.45 0.3 . 1 . . . . 43 ILE CD1 . 15403 1 522 . 1 1 43 43 ILE CG1 C 13 26.99 0.3 . 1 . . . . 43 ILE CG1 . 15403 1 523 . 1 1 43 43 ILE CG2 C 13 19.22 0.3 . 1 . . . . 43 ILE CG2 . 15403 1 524 . 1 1 43 43 ILE N N 15 115.61 0.1 . 1 . . . . 43 ILE N . 15403 1 525 . 1 1 44 44 GLN H H 1 7.75 0.03 . 1 . . . . 44 GLN H . 15403 1 526 . 1 1 44 44 GLN HA H 1 4.61 0.03 . 1 . . . . 44 GLN HA . 15403 1 527 . 1 1 44 44 GLN HB2 H 1 2.02 0.03 . 2 . . . . 44 GLN HB2 . 15403 1 528 . 1 1 44 44 GLN HB3 H 1 2.20 0.03 . 2 . . . . 44 GLN HB3 . 15403 1 529 . 1 1 44 44 GLN HE21 H 1 7.33 0.03 . 1 . . . . 44 GLN HE21 . 15403 1 530 . 1 1 44 44 GLN HE22 H 1 6.86 0.03 . 1 . . . . 44 GLN HE22 . 15403 1 531 . 1 1 44 44 GLN HG2 H 1 2.16 0.03 . 2 . . . . 44 GLN HG2 . 15403 1 532 . 1 1 44 44 GLN HG3 H 1 2.20 0.03 . 2 . . . . 44 GLN HG3 . 15403 1 533 . 1 1 44 44 GLN C C 13 173.61 0.3 . 1 . . . . 44 GLN C . 15403 1 534 . 1 1 44 44 GLN CA C 13 55.14 0.3 . 1 . . . . 44 GLN CA . 15403 1 535 . 1 1 44 44 GLN CB C 13 31.46 0.3 . 1 . . . . 44 GLN CB . 15403 1 536 . 1 1 44 44 GLN CG C 13 33.29 0.3 . 1 . . . . 44 GLN CG . 15403 1 537 . 1 1 44 44 GLN N N 15 118.36 0.1 . 1 . . . . 44 GLN N . 15403 1 538 . 1 1 44 44 GLN NE2 N 15 111.10 0.1 . 1 . . . . 44 GLN NE2 . 15403 1 539 . 1 1 45 45 THR H H 1 8.56 0.03 . 1 . . . . 45 THR H . 15403 1 540 . 1 1 45 45 THR HA H 1 5.14 0.03 . 1 . . . . 45 THR HA . 15403 1 541 . 1 1 45 45 THR HB H 1 3.88 0.03 . 1 . . . . 45 THR HB . 15403 1 542 . 1 1 45 45 THR HG21 H 1 1.15 0.03 . 1 . . . . 45 THR HG2 . 15403 1 543 . 1 1 45 45 THR HG22 H 1 1.15 0.03 . 1 . . . . 45 THR HG2 . 15403 1 544 . 1 1 45 45 THR HG23 H 1 1.15 0.03 . 1 . . . . 45 THR HG2 . 15403 1 545 . 1 1 45 45 THR C C 13 177.83 0.3 . 1 . . . . 45 THR C . 15403 1 546 . 1 1 45 45 THR CA C 13 61.45 0.3 . 1 . . . . 45 THR CA . 15403 1 547 . 1 1 45 45 THR CB C 13 71.38 0.3 . 1 . . . . 45 THR CB . 15403 1 548 . 1 1 45 45 THR CG2 C 13 21.22 0.3 . 1 . . . . 45 THR CG2 . 15403 1 549 . 1 1 45 45 THR N N 15 115.47 0.1 . 1 . . . . 45 THR N . 15403 1 550 . 1 1 46 46 MET H H 1 9.10 0.03 . 1 . . . . 46 MET H . 15403 1 551 . 1 1 46 46 MET HA H 1 4.73 0.03 . 1 . . . . 46 MET HA . 15403 1 552 . 1 1 46 46 MET HB2 H 1 1.94 0.03 . 2 . . . . 46 MET HB2 . 15403 1 553 . 1 1 46 46 MET HB3 H 1 1.94 0.03 . 2 . . . . 46 MET HB3 . 15403 1 554 . 1 1 46 46 MET HG2 H 1 2.35 0.03 . 2 . . . . 46 MET HG2 . 15403 1 555 . 1 1 46 46 MET HG3 H 1 2.39 0.03 . 2 . . . . 46 MET HG3 . 15403 1 556 . 1 1 46 46 MET C C 13 173.52 0.3 . 1 . . . . 46 MET C . 15403 1 557 . 1 1 46 46 MET CA C 13 54.56 0.3 . 1 . . . . 46 MET CA . 15403 1 558 . 1 1 46 46 MET CB C 13 36.50 0.3 . 1 . . . . 46 MET CB . 15403 1 559 . 1 1 46 46 MET CG C 13 31.17 0.3 . 1 . . . . 46 MET CG . 15403 1 560 . 1 1 46 46 MET N N 15 123.16 0.1 . 1 . . . . 46 MET N . 15403 1 561 . 1 1 47 47 LEU H H 1 8.49 0.03 . 1 . . . . 47 LEU H . 15403 1 562 . 1 1 47 47 LEU HA H 1 4.73 0.03 . 1 . . . . 47 LEU HA . 15403 1 563 . 1 1 47 47 LEU HB2 H 1 1.54 0.03 . 2 . . . . 47 LEU HB2 . 15403 1 564 . 1 1 47 47 LEU HB3 H 1 1.54 0.03 . 2 . . . . 47 LEU HB3 . 15403 1 565 . 1 1 47 47 LEU HD11 H 1 0.83 0.03 . 2 . . . . 47 LEU HD1 . 15403 1 566 . 1 1 47 47 LEU HD12 H 1 0.83 0.03 . 2 . . . . 47 LEU HD1 . 15403 1 567 . 1 1 47 47 LEU HD13 H 1 0.83 0.03 . 2 . . . . 47 LEU HD1 . 15403 1 568 . 1 1 47 47 LEU HD21 H 1 0.80 0.03 . 2 . . . . 47 LEU HD2 . 15403 1 569 . 1 1 47 47 LEU HD22 H 1 0.80 0.03 . 2 . . . . 47 LEU HD2 . 15403 1 570 . 1 1 47 47 LEU HD23 H 1 0.80 0.03 . 2 . . . . 47 LEU HD2 . 15403 1 571 . 1 1 47 47 LEU HG H 1 1.46 0.03 . 1 . . . . 47 LEU HG . 15403 1 572 . 1 1 47 47 LEU C C 13 176.21 0.3 . 1 . . . . 47 LEU C . 15403 1 573 . 1 1 47 47 LEU CA C 13 54.44 0.3 . 1 . . . . 47 LEU CA . 15403 1 574 . 1 1 47 47 LEU CB C 13 42.54 0.3 . 1 . . . . 47 LEU CB . 15403 1 575 . 1 1 47 47 LEU CD1 C 13 24.38 0.3 . 2 . . . . 47 LEU CD1 . 15403 1 576 . 1 1 47 47 LEU CD2 C 13 24.38 0.3 . 2 . . . . 47 LEU CD2 . 15403 1 577 . 1 1 47 47 LEU CG C 13 27.05 0.3 . 1 . . . . 47 LEU CG . 15403 1 578 . 1 1 47 47 LEU N N 15 124.30 0.1 . 1 . . . . 47 LEU N . 15403 1 579 . 1 1 48 48 ILE H H 1 8.99 0.03 . 1 . . . . 48 ILE H . 15403 1 580 . 1 1 48 48 ILE HA H 1 4.43 0.03 . 1 . . . . 48 ILE HA . 15403 1 581 . 1 1 48 48 ILE HB H 1 1.88 0.03 . 1 . . . . 48 ILE HB . 15403 1 582 . 1 1 48 48 ILE HD11 H 1 0.78 0.03 . 1 . . . . 48 ILE HD1 . 15403 1 583 . 1 1 48 48 ILE HD12 H 1 0.78 0.03 . 1 . . . . 48 ILE HD1 . 15403 1 584 . 1 1 48 48 ILE HD13 H 1 0.78 0.03 . 1 . . . . 48 ILE HD1 . 15403 1 585 . 1 1 48 48 ILE HG12 H 1 1.24 0.03 . 2 . . . . 48 ILE HG12 . 15403 1 586 . 1 1 48 48 ILE HG13 H 1 1.39 0.03 . 2 . . . . 48 ILE HG13 . 15403 1 587 . 1 1 48 48 ILE HG21 H 1 0.86 0.03 . 1 . . . . 48 ILE HG2 . 15403 1 588 . 1 1 48 48 ILE HG22 H 1 0.86 0.03 . 1 . . . . 48 ILE HG2 . 15403 1 589 . 1 1 48 48 ILE HG23 H 1 0.86 0.03 . 1 . . . . 48 ILE HG2 . 15403 1 590 . 1 1 48 48 ILE C C 13 175.04 0.3 . 1 . . . . 48 ILE C . 15403 1 591 . 1 1 48 48 ILE CA C 13 59.15 0.3 . 1 . . . . 48 ILE CA . 15403 1 592 . 1 1 48 48 ILE CB C 13 39.91 0.3 . 1 . . . . 48 ILE CB . 15403 1 593 . 1 1 48 48 ILE CD1 C 13 12.35 0.3 . 1 . . . . 48 ILE CD1 . 15403 1 594 . 1 1 48 48 ILE CG1 C 13 26.89 0.3 . 1 . . . . 48 ILE CG1 . 15403 1 595 . 1 1 48 48 ILE CG2 C 13 17.32 0.3 . 1 . . . . 48 ILE CG2 . 15403 1 596 . 1 1 48 48 ILE N N 15 125.76 0.1 . 1 . . . . 48 ILE N . 15403 1 597 . 1 1 49 49 LYS H H 1 8.71 0.03 . 1 . . . . 49 LYS H . 15403 1 598 . 1 1 49 49 LYS HA H 1 4.55 0.03 . 1 . . . . 49 LYS HA . 15403 1 599 . 1 1 49 49 LYS HB2 H 1 1.78 0.03 . 2 . . . . 49 LYS HB2 . 15403 1 600 . 1 1 49 49 LYS HB3 H 1 1.84 0.03 . 2 . . . . 49 LYS HB3 . 15403 1 601 . 1 1 49 49 LYS HD2 H 1 1.72 0.03 . 2 . . . . 49 LYS HD2 . 15403 1 602 . 1 1 49 49 LYS HD3 H 1 1.74 0.03 . 2 . . . . 49 LYS HD3 . 15403 1 603 . 1 1 49 49 LYS HE2 H 1 2.99 0.03 . 2 . . . . 49 LYS HE2 . 15403 1 604 . 1 1 49 49 LYS HE3 H 1 3.03 0.03 . 2 . . . . 49 LYS HE3 . 15403 1 605 . 1 1 49 49 LYS HG2 H 1 1.35 0.03 . 2 . . . . 49 LYS HG2 . 15403 1 606 . 1 1 49 49 LYS HG3 H 1 1.48 0.03 . 2 . . . . 49 LYS HG3 . 15403 1 607 . 1 1 49 49 LYS C C 13 176.06 0.3 . 1 . . . . 49 LYS C . 15403 1 608 . 1 1 49 49 LYS CA C 13 56.57 0.3 . 1 . . . . 49 LYS CA . 15403 1 609 . 1 1 49 49 LYS CB C 13 33.01 0.3 . 1 . . . . 49 LYS CB . 15403 1 610 . 1 1 49 49 LYS CD C 13 29.27 0.3 . 1 . . . . 49 LYS CD . 15403 1 611 . 1 1 49 49 LYS CE C 13 42.01 0.3 . 1 . . . . 49 LYS CE . 15403 1 612 . 1 1 49 49 LYS CG C 13 25.09 0.3 . 1 . . . . 49 LYS CG . 15403 1 613 . 1 1 49 49 LYS N N 15 126.48 0.1 . 1 . . . . 49 LYS N . 15403 1 614 . 1 1 50 50 THR H H 1 8.15 0.03 . 1 . . . . 50 THR H . 15403 1 615 . 1 1 50 50 THR HA H 1 4.86 0.03 . 1 . . . . 50 THR HA . 15403 1 616 . 1 1 50 50 THR HB H 1 4.57 0.03 . 1 . . . . 50 THR HB . 15403 1 617 . 1 1 50 50 THR HG21 H 1 1.21 0.03 . 1 . . . . 50 THR HG2 . 15403 1 618 . 1 1 50 50 THR HG22 H 1 1.21 0.03 . 1 . . . . 50 THR HG2 . 15403 1 619 . 1 1 50 50 THR HG23 H 1 1.21 0.03 . 1 . . . . 50 THR HG2 . 15403 1 620 . 1 1 50 50 THR CA C 13 60.03 0.3 . 1 . . . . 50 THR CA . 15403 1 621 . 1 1 50 50 THR CB C 13 72.82 0.3 . 1 . . . . 50 THR CB . 15403 1 622 . 1 1 50 50 THR CG2 C 13 21.40 0.3 . 1 . . . . 50 THR CG2 . 15403 1 623 . 1 1 50 50 THR N N 15 116.22 0.1 . 1 . . . . 50 THR N . 15403 1 624 . 1 1 51 51 ILE HA H 1 4.40 0.03 . 1 . . . . 51 ILE HA . 15403 1 625 . 1 1 51 51 ILE HB H 1 1.98 0.03 . 1 . . . . 51 ILE HB . 15403 1 626 . 1 1 51 51 ILE HD11 H 1 0.90 0.03 . 1 . . . . 51 ILE HD1 . 15403 1 627 . 1 1 51 51 ILE HD12 H 1 0.90 0.03 . 1 . . . . 51 ILE HD1 . 15403 1 628 . 1 1 51 51 ILE HD13 H 1 0.90 0.03 . 1 . . . . 51 ILE HD1 . 15403 1 629 . 1 1 51 51 ILE HG12 H 1 1.06 0.03 . 2 . . . . 51 ILE HG12 . 15403 1 630 . 1 1 51 51 ILE HG13 H 1 1.33 0.03 . 2 . . . . 51 ILE HG13 . 15403 1 631 . 1 1 51 51 ILE HG21 H 1 1.05 0.03 . 1 . . . . 51 ILE HG2 . 15403 1 632 . 1 1 51 51 ILE HG22 H 1 1.05 0.03 . 1 . . . . 51 ILE HG2 . 15403 1 633 . 1 1 51 51 ILE HG23 H 1 1.05 0.03 . 1 . . . . 51 ILE HG2 . 15403 1 634 . 1 1 51 51 ILE C C 13 176.14 0.3 . 1 . . . . 51 ILE C . 15403 1 635 . 1 1 51 51 ILE CA C 13 63.45 0.3 . 1 . . . . 51 ILE CA . 15403 1 636 . 1 1 51 51 ILE CB C 13 37.97 0.3 . 1 . . . . 51 ILE CB . 15403 1 637 . 1 1 51 51 ILE CD1 C 13 14.45 0.3 . 1 . . . . 51 ILE CD1 . 15403 1 638 . 1 1 51 51 ILE CG1 C 13 26.89 0.3 . 1 . . . . 51 ILE CG1 . 15403 1 639 . 1 1 51 51 ILE CG2 C 13 19.12 0.3 . 1 . . . . 51 ILE CG2 . 15403 1 640 . 1 1 52 52 HIS H H 1 7.82 0.03 . 1 . . . . 52 HIS H . 15403 1 641 . 1 1 52 52 HIS HA H 1 4.83 0.03 . 1 . . . . 52 HIS HA . 15403 1 642 . 1 1 52 52 HIS HB2 H 1 2.84 0.03 . 2 . . . . 52 HIS HB2 . 15403 1 643 . 1 1 52 52 HIS HB3 H 1 3.38 0.03 . 2 . . . . 52 HIS HB3 . 15403 1 644 . 1 1 52 52 HIS C C 13 175.19 0.3 . 1 . . . . 52 HIS C . 15403 1 645 . 1 1 52 52 HIS CA C 13 55.67 0.3 . 1 . . . . 52 HIS CA . 15403 1 646 . 1 1 52 52 HIS CB C 13 31.26 0.3 . 1 . . . . 52 HIS CB . 15403 1 647 . 1 1 52 52 HIS N N 15 118.28 0.1 . 1 . . . . 52 HIS N . 15403 1 648 . 1 1 53 53 GLY H H 1 7.59 0.03 . 1 . . . . 53 GLY H . 15403 1 649 . 1 1 53 53 GLY HA2 H 1 3.88 0.03 . 2 . . . . 53 GLY HA2 . 15403 1 650 . 1 1 53 53 GLY HA3 H 1 4.51 0.03 . 2 . . . . 53 GLY HA3 . 15403 1 651 . 1 1 53 53 GLY C C 13 173.36 0.3 . 1 . . . . 53 GLY C . 15403 1 652 . 1 1 53 53 GLY CA C 13 44.51 0.3 . 1 . . . . 53 GLY CA . 15403 1 653 . 1 1 53 53 GLY N N 15 108.49 0.1 . 1 . . . . 53 GLY N . 15403 1 654 . 1 1 54 54 GLU H H 1 8.71 0.03 . 1 . . . . 54 GLU H . 15403 1 655 . 1 1 54 54 GLU HA H 1 5.05 0.03 . 1 . . . . 54 GLU HA . 15403 1 656 . 1 1 54 54 GLU HB2 H 1 1.92 0.03 . 2 . . . . 54 GLU HB2 . 15403 1 657 . 1 1 54 54 GLU HB3 H 1 1.94 0.03 . 2 . . . . 54 GLU HB3 . 15403 1 658 . 1 1 54 54 GLU HG2 H 1 2.12 0.03 . 2 . . . . 54 GLU HG2 . 15403 1 659 . 1 1 54 54 GLU HG3 H 1 2.20 0.03 . 2 . . . . 54 GLU HG3 . 15403 1 660 . 1 1 54 54 GLU C C 13 175.89 0.3 . 1 . . . . 54 GLU C . 15403 1 661 . 1 1 54 54 GLU CA C 13 55.98 0.3 . 1 . . . . 54 GLU CA . 15403 1 662 . 1 1 54 54 GLU CB C 13 31.61 0.3 . 1 . . . . 54 GLU CB . 15403 1 663 . 1 1 54 54 GLU CG C 13 36.74 0.3 . 1 . . . . 54 GLU CG . 15403 1 664 . 1 1 54 54 GLU N N 15 121.85 0.1 . 1 . . . . 54 GLU N . 15403 1 665 . 1 1 55 55 LYS H H 1 8.93 0.03 . 1 . . . . 55 LYS H . 15403 1 666 . 1 1 55 55 LYS HA H 1 4.67 0.03 . 1 . . . . 55 LYS HA . 15403 1 667 . 1 1 55 55 LYS HB2 H 1 1.73 0.03 . 2 . . . . 55 LYS HB2 . 15403 1 668 . 1 1 55 55 LYS HB3 H 1 1.81 0.03 . 2 . . . . 55 LYS HB3 . 15403 1 669 . 1 1 55 55 LYS HD2 H 1 1.64 0.03 . 2 . . . . 55 LYS HD2 . 15403 1 670 . 1 1 55 55 LYS HD3 H 1 1.68 0.03 . 2 . . . . 55 LYS HD3 . 15403 1 671 . 1 1 55 55 LYS HE2 H 1 2.90 0.03 . 2 . . . . 55 LYS HE2 . 15403 1 672 . 1 1 55 55 LYS HE3 H 1 2.97 0.03 . 2 . . . . 55 LYS HE3 . 15403 1 673 . 1 1 55 55 LYS HG2 H 1 1.33 0.03 . 2 . . . . 55 LYS HG2 . 15403 1 674 . 1 1 55 55 LYS HG3 H 1 1.37 0.03 . 2 . . . . 55 LYS HG3 . 15403 1 675 . 1 1 55 55 LYS C C 13 174.63 0.3 . 1 . . . . 55 LYS C . 15403 1 676 . 1 1 55 55 LYS CA C 13 54.75 0.3 . 1 . . . . 55 LYS CA . 15403 1 677 . 1 1 55 55 LYS CB C 13 35.91 0.3 . 1 . . . . 55 LYS CB . 15403 1 678 . 1 1 55 55 LYS CD C 13 29.17 0.3 . 1 . . . . 55 LYS CD . 15403 1 679 . 1 1 55 55 LYS CE C 13 42.21 0.3 . 1 . . . . 55 LYS CE . 15403 1 680 . 1 1 55 55 LYS CG C 13 24.30 0.3 . 1 . . . . 55 LYS CG . 15403 1 681 . 1 1 55 55 LYS N N 15 123.38 0.1 . 1 . . . . 55 LYS N . 15403 1 682 . 1 1 56 56 GLN H H 1 8.67 0.03 . 1 . . . . 56 GLN H . 15403 1 683 . 1 1 56 56 GLN HA H 1 4.82 0.03 . 1 . . . . 56 GLN HA . 15403 1 684 . 1 1 56 56 GLN HB2 H 1 1.81 0.03 . 2 . . . . 56 GLN HB2 . 15403 1 685 . 1 1 56 56 GLN HB3 H 1 1.91 0.03 . 2 . . . . 56 GLN HB3 . 15403 1 686 . 1 1 56 56 GLN HG2 H 1 2.24 0.03 . 2 . . . . 56 GLN HG2 . 15403 1 687 . 1 1 56 56 GLN HG3 H 1 2.24 0.03 . 2 . . . . 56 GLN HG3 . 15403 1 688 . 1 1 56 56 GLN C C 13 175.78 0.3 . 1 . . . . 56 GLN C . 15403 1 689 . 1 1 56 56 GLN CA C 13 55.50 0.3 . 1 . . . . 56 GLN CA . 15403 1 690 . 1 1 56 56 GLN CB C 13 29.47 0.3 . 1 . . . . 56 GLN CB . 15403 1 691 . 1 1 56 56 GLN CG C 13 33.85 0.3 . 1 . . . . 56 GLN CG . 15403 1 692 . 1 1 56 56 GLN N N 15 122.95 0.1 . 1 . . . . 56 GLN N . 15403 1 693 . 1 1 57 57 GLN H H 1 9.21 0.03 . 1 . . . . 57 GLN H . 15403 1 694 . 1 1 57 57 GLN HA H 1 4.74 0.03 . 1 . . . . 57 GLN HA . 15403 1 695 . 1 1 57 57 GLN HB2 H 1 1.85 0.03 . 2 . . . . 57 GLN HB2 . 15403 1 696 . 1 1 57 57 GLN HB3 H 1 2.08 0.03 . 2 . . . . 57 GLN HB3 . 15403 1 697 . 1 1 57 57 GLN HE21 H 1 7.55 0.03 . 1 . . . . 57 GLN HE21 . 15403 1 698 . 1 1 57 57 GLN HE22 H 1 6.95 0.03 . 1 . . . . 57 GLN HE22 . 15403 1 699 . 1 1 57 57 GLN HG2 H 1 2.33 0.03 . 2 . . . . 57 GLN HG2 . 15403 1 700 . 1 1 57 57 GLN HG3 H 1 2.42 0.03 . 2 . . . . 57 GLN HG3 . 15403 1 701 . 1 1 57 57 GLN C C 13 174.10 0.3 . 1 . . . . 57 GLN C . 15403 1 702 . 1 1 57 57 GLN CA C 13 54.76 0.3 . 1 . . . . 57 GLN CA . 15403 1 703 . 1 1 57 57 GLN CB C 13 32.67 0.3 . 1 . . . . 57 GLN CB . 15403 1 704 . 1 1 57 57 GLN CG C 13 34.35 0.3 . 1 . . . . 57 GLN CG . 15403 1 705 . 1 1 57 57 GLN N N 15 125.03 0.1 . 1 . . . . 57 GLN N . 15403 1 706 . 1 1 57 57 GLN NE2 N 15 111.45 0.1 . 1 . . . . 57 GLN NE2 . 15403 1 707 . 1 1 58 58 ASP H H 1 8.57 0.03 . 1 . . . . 58 ASP H . 15403 1 708 . 1 1 58 58 ASP HA H 1 4.86 0.03 . 1 . . . . 58 ASP HA . 15403 1 709 . 1 1 58 58 ASP HB2 H 1 2.08 0.03 . 2 . . . . 58 ASP HB2 . 15403 1 710 . 1 1 58 58 ASP HB3 H 1 2.60 0.03 . 2 . . . . 58 ASP HB3 . 15403 1 711 . 1 1 58 58 ASP C C 13 173.69 0.3 . 1 . . . . 58 ASP C . 15403 1 712 . 1 1 58 58 ASP CA C 13 55.09 0.3 . 1 . . . . 58 ASP CA . 15403 1 713 . 1 1 58 58 ASP CB C 13 42.12 0.3 . 1 . . . . 58 ASP CB . 15403 1 714 . 1 1 58 58 ASP N N 15 124.68 0.1 . 1 . . . . 58 ASP N . 15403 1 715 . 1 1 59 59 VAL H H 1 8.48 0.03 . 1 . . . . 59 VAL H . 15403 1 716 . 1 1 59 59 VAL HA H 1 4.61 0.03 . 1 . . . . 59 VAL HA . 15403 1 717 . 1 1 59 59 VAL HB H 1 1.67 0.03 . 1 . . . . 59 VAL HB . 15403 1 718 . 1 1 59 59 VAL HG11 H 1 1.04 0.03 . 2 . . . . 59 VAL HG1 . 15403 1 719 . 1 1 59 59 VAL HG12 H 1 1.04 0.03 . 2 . . . . 59 VAL HG1 . 15403 1 720 . 1 1 59 59 VAL HG13 H 1 1.04 0.03 . 2 . . . . 59 VAL HG1 . 15403 1 721 . 1 1 59 59 VAL HG21 H 1 0.85 0.03 . 2 . . . . 59 VAL HG2 . 15403 1 722 . 1 1 59 59 VAL HG22 H 1 0.85 0.03 . 2 . . . . 59 VAL HG2 . 15403 1 723 . 1 1 59 59 VAL HG23 H 1 0.85 0.03 . 2 . . . . 59 VAL HG2 . 15403 1 724 . 1 1 59 59 VAL C C 13 174.60 0.3 . 1 . . . . 59 VAL C . 15403 1 725 . 1 1 59 59 VAL CA C 13 61.13 0.3 . 1 . . . . 59 VAL CA . 15403 1 726 . 1 1 59 59 VAL CB C 13 34.25 0.3 . 1 . . . . 59 VAL CB . 15403 1 727 . 1 1 59 59 VAL CG1 C 13 21.60 0.3 . 2 . . . . 59 VAL CG1 . 15403 1 728 . 1 1 59 59 VAL CG2 C 13 21.60 0.3 . 2 . . . . 59 VAL CG2 . 15403 1 729 . 1 1 59 59 VAL N N 15 121.27 0.1 . 1 . . . . 59 VAL N . 15403 1 730 . 1 1 60 60 TYR H H 1 9.39 0.03 . 1 . . . . 60 TYR H . 15403 1 731 . 1 1 60 60 TYR HA H 1 4.80 0.03 . 1 . . . . 60 TYR HA . 15403 1 732 . 1 1 60 60 TYR HB2 H 1 2.60 0.03 . 2 . . . . 60 TYR HB2 . 15403 1 733 . 1 1 60 60 TYR HB3 H 1 3.03 0.03 . 2 . . . . 60 TYR HB3 . 15403 1 734 . 1 1 60 60 TYR HD1 H 1 7.05 0.03 . 1 . . . . 60 TYR HD1 . 15403 1 735 . 1 1 60 60 TYR HD2 H 1 7.05 0.03 . 1 . . . . 60 TYR HD2 . 15403 1 736 . 1 1 60 60 TYR HE1 H 1 6.72 0.03 . 1 . . . . 60 TYR HE1 . 15403 1 737 . 1 1 60 60 TYR HE2 H 1 6.72 0.03 . 1 . . . . 60 TYR HE2 . 15403 1 738 . 1 1 60 60 TYR C C 13 173.84 0.3 . 1 . . . . 60 TYR C . 15403 1 739 . 1 1 60 60 TYR CA C 13 56.84 0.3 . 1 . . . . 60 TYR CA . 15403 1 740 . 1 1 60 60 TYR CB C 13 41.19 0.3 . 1 . . . . 60 TYR CB . 15403 1 741 . 1 1 60 60 TYR CD1 C 13 134.11 0.3 . 1 . . . . 60 TYR CD1 . 15403 1 742 . 1 1 60 60 TYR CD2 C 13 134.11 0.3 . 1 . . . . 60 TYR CD2 . 15403 1 743 . 1 1 60 60 TYR CE1 C 13 118.22 0.3 . 1 . . . . 60 TYR CE1 . 15403 1 744 . 1 1 60 60 TYR CE2 C 13 118.22 0.3 . 1 . . . . 60 TYR CE2 . 15403 1 745 . 1 1 60 60 TYR N N 15 125.76 0.1 . 1 . . . . 60 TYR N . 15403 1 746 . 1 1 61 61 TYR H H 1 9.30 0.03 . 1 . . . . 61 TYR H . 15403 1 747 . 1 1 61 61 TYR HA H 1 5.37 0.03 . 1 . . . . 61 TYR HA . 15403 1 748 . 1 1 61 61 TYR HB2 H 1 2.86 0.03 . 2 . . . . 61 TYR HB2 . 15403 1 749 . 1 1 61 61 TYR HB3 H 1 3.10 0.03 . 2 . . . . 61 TYR HB3 . 15403 1 750 . 1 1 61 61 TYR HD1 H 1 7.01 0.03 . 1 . . . . 61 TYR HD1 . 15403 1 751 . 1 1 61 61 TYR HD2 H 1 7.01 0.03 . 1 . . . . 61 TYR HD2 . 15403 1 752 . 1 1 61 61 TYR HE1 H 1 6.75 0.03 . 1 . . . . 61 TYR HE1 . 15403 1 753 . 1 1 61 61 TYR HE2 H 1 6.75 0.03 . 1 . . . . 61 TYR HE2 . 15403 1 754 . 1 1 61 61 TYR C C 13 174.30 0.3 . 1 . . . . 61 TYR C . 15403 1 755 . 1 1 61 61 TYR CA C 13 57.49 0.3 . 1 . . . . 61 TYR CA . 15403 1 756 . 1 1 61 61 TYR CB C 13 40.90 0.3 . 1 . . . . 61 TYR CB . 15403 1 757 . 1 1 61 61 TYR CD1 C 13 132.99 0.3 . 1 . . . . 61 TYR CD1 . 15403 1 758 . 1 1 61 61 TYR CD2 C 13 132.99 0.3 . 1 . . . . 61 TYR CD2 . 15403 1 759 . 1 1 61 61 TYR CE1 C 13 117.83 0.3 . 1 . . . . 61 TYR CE1 . 15403 1 760 . 1 1 61 61 TYR CE2 C 13 117.83 0.3 . 1 . . . . 61 TYR CE2 . 15403 1 761 . 1 1 61 61 TYR N N 15 122.89 0.1 . 1 . . . . 61 TYR N . 15403 1 762 . 1 1 62 62 LEU H H 1 8.77 0.03 . 1 . . . . 62 LEU H . 15403 1 763 . 1 1 62 62 LEU HA H 1 4.78 0.03 . 1 . . . . 62 LEU HA . 15403 1 764 . 1 1 62 62 LEU HB2 H 1 1.11 0.03 . 2 . . . . 62 LEU HB2 . 15403 1 765 . 1 1 62 62 LEU HB3 H 1 1.72 0.03 . 2 . . . . 62 LEU HB3 . 15403 1 766 . 1 1 62 62 LEU HD11 H 1 0.62 0.03 . 2 . . . . 62 LEU HD1 . 15403 1 767 . 1 1 62 62 LEU HD12 H 1 0.62 0.03 . 2 . . . . 62 LEU HD1 . 15403 1 768 . 1 1 62 62 LEU HD13 H 1 0.62 0.03 . 2 . . . . 62 LEU HD1 . 15403 1 769 . 1 1 62 62 LEU HD21 H 1 0.93 0.03 . 2 . . . . 62 LEU HD2 . 15403 1 770 . 1 1 62 62 LEU HD22 H 1 0.93 0.03 . 2 . . . . 62 LEU HD2 . 15403 1 771 . 1 1 62 62 LEU HD23 H 1 0.93 0.03 . 2 . . . . 62 LEU HD2 . 15403 1 772 . 1 1 62 62 LEU HG H 1 1.74 0.03 . 1 . . . . 62 LEU HG . 15403 1 773 . 1 1 62 62 LEU C C 13 174.07 0.3 . 1 . . . . 62 LEU C . 15403 1 774 . 1 1 62 62 LEU CA C 13 53.76 0.3 . 1 . . . . 62 LEU CA . 15403 1 775 . 1 1 62 62 LEU CB C 13 49.02 0.3 . 1 . . . . 62 LEU CB . 15403 1 776 . 1 1 62 62 LEU CD1 C 13 25.89 0.3 . 2 . . . . 62 LEU CD1 . 15403 1 777 . 1 1 62 62 LEU CD2 C 13 23.43 0.3 . 2 . . . . 62 LEU CD2 . 15403 1 778 . 1 1 62 62 LEU CG C 13 26.77 0.3 . 1 . . . . 62 LEU CG . 15403 1 779 . 1 1 62 62 LEU N N 15 129.70 0.1 . 1 . . . . 62 LEU N . 15403 1 780 . 1 1 63 63 THR H H 1 7.96 0.03 . 1 . . . . 63 THR H . 15403 1 781 . 1 1 63 63 THR HA H 1 5.41 0.03 . 1 . . . . 63 THR HA . 15403 1 782 . 1 1 63 63 THR HB H 1 4.07 0.03 . 1 . . . . 63 THR HB . 15403 1 783 . 1 1 63 63 THR HG21 H 1 1.25 0.03 . 1 . . . . 63 THR HG2 . 15403 1 784 . 1 1 63 63 THR HG22 H 1 1.25 0.03 . 1 . . . . 63 THR HG2 . 15403 1 785 . 1 1 63 63 THR HG23 H 1 1.25 0.03 . 1 . . . . 63 THR HG2 . 15403 1 786 . 1 1 63 63 THR C C 13 173.86 0.3 . 1 . . . . 63 THR C . 15403 1 787 . 1 1 63 63 THR CA C 13 60.85 0.3 . 1 . . . . 63 THR CA . 15403 1 788 . 1 1 63 63 THR CB C 13 69.79 0.3 . 1 . . . . 63 THR CB . 15403 1 789 . 1 1 63 63 THR CG2 C 13 21.31 0.3 . 1 . . . . 63 THR CG2 . 15403 1 790 . 1 1 63 63 THR N N 15 118.46 0.1 . 1 . . . . 63 THR N . 15403 1 791 . 1 1 64 64 PHE H H 1 9.27 0.03 . 1 . . . . 64 PHE H . 15403 1 792 . 1 1 64 64 PHE HA H 1 5.10 0.03 . 1 . . . . 64 PHE HA . 15403 1 793 . 1 1 64 64 PHE HB2 H 1 3.12 0.03 . 2 . . . . 64 PHE HB2 . 15403 1 794 . 1 1 64 64 PHE HB3 H 1 3.61 0.03 . 2 . . . . 64 PHE HB3 . 15403 1 795 . 1 1 64 64 PHE HD1 H 1 6.82 0.03 . 1 . . . . 64 PHE HD1 . 15403 1 796 . 1 1 64 64 PHE HD2 H 1 6.82 0.03 . 1 . . . . 64 PHE HD2 . 15403 1 797 . 1 1 64 64 PHE HE1 H 1 6.78 0.03 . 1 . . . . 64 PHE HE1 . 15403 1 798 . 1 1 64 64 PHE HE2 H 1 6.78 0.03 . 1 . . . . 64 PHE HE2 . 15403 1 799 . 1 1 64 64 PHE HZ H 1 6.75 0.03 . 1 . . . . 64 PHE HZ . 15403 1 800 . 1 1 64 64 PHE C C 13 172.28 0.3 . 1 . . . . 64 PHE C . 15403 1 801 . 1 1 64 64 PHE CA C 13 56.02 0.3 . 1 . . . . 64 PHE CA . 15403 1 802 . 1 1 64 64 PHE CB C 13 38.35 0.3 . 1 . . . . 64 PHE CB . 15403 1 803 . 1 1 64 64 PHE CD1 C 13 133.05 0.3 . 1 . . . . 64 PHE CD1 . 15403 1 804 . 1 1 64 64 PHE CD2 C 13 133.05 0.3 . 1 . . . . 64 PHE CD2 . 15403 1 805 . 1 1 64 64 PHE CE1 C 13 129.84 0.3 . 1 . . . . 64 PHE CE1 . 15403 1 806 . 1 1 64 64 PHE CE2 C 13 129.94 0.3 . 1 . . . . 64 PHE CE2 . 15403 1 807 . 1 1 64 64 PHE CZ C 13 128.28 0.3 . 1 . . . . 64 PHE CZ . 15403 1 808 . 1 1 64 64 PHE N N 15 123.96 0.1 . 1 . . . . 64 PHE N . 15403 1 809 . 1 1 65 65 LYS H H 1 8.75 0.03 . 1 . . . . 65 LYS H . 15403 1 810 . 1 1 65 65 LYS HA H 1 5.50 0.03 . 1 . . . . 65 LYS HA . 15403 1 811 . 1 1 65 65 LYS HB2 H 1 1.37 0.03 . 2 . . . . 65 LYS HB2 . 15403 1 812 . 1 1 65 65 LYS HB3 H 1 1.64 0.03 . 2 . . . . 65 LYS HB3 . 15403 1 813 . 1 1 65 65 LYS HD2 H 1 1.39 0.03 . 2 . . . . 65 LYS HD2 . 15403 1 814 . 1 1 65 65 LYS HD3 H 1 1.42 0.03 . 2 . . . . 65 LYS HD3 . 15403 1 815 . 1 1 65 65 LYS HE2 H 1 2.76 0.03 . 2 . . . . 65 LYS HE2 . 15403 1 816 . 1 1 65 65 LYS HE3 H 1 2.76 0.03 . 2 . . . . 65 LYS HE3 . 15403 1 817 . 1 1 65 65 LYS HG2 H 1 0.98 0.03 . 2 . . . . 65 LYS HG2 . 15403 1 818 . 1 1 65 65 LYS HG3 H 1 1.40 0.03 . 2 . . . . 65 LYS HG3 . 15403 1 819 . 1 1 65 65 LYS C C 13 176.30 0.3 . 1 . . . . 65 LYS C . 15403 1 820 . 1 1 65 65 LYS CA C 13 54.90 0.3 . 1 . . . . 65 LYS CA . 15403 1 821 . 1 1 65 65 LYS CB C 13 37.73 0.3 . 1 . . . . 65 LYS CB . 15403 1 822 . 1 1 65 65 LYS CD C 13 29.77 0.3 . 1 . . . . 65 LYS CD . 15403 1 823 . 1 1 65 65 LYS CE C 13 42.41 0.3 . 1 . . . . 65 LYS CE . 15403 1 824 . 1 1 65 65 LYS CG C 13 25.19 0.3 . 1 . . . . 65 LYS CG . 15403 1 825 . 1 1 65 65 LYS N N 15 117.93 0.1 . 1 . . . . 65 LYS N . 15403 1 826 . 1 1 66 66 VAL H H 1 8.84 0.03 . 1 . . . . 66 VAL H . 15403 1 827 . 1 1 66 66 VAL HA H 1 4.52 0.03 . 1 . . . . 66 VAL HA . 15403 1 828 . 1 1 66 66 VAL HB H 1 2.06 0.03 . 1 . . . . 66 VAL HB . 15403 1 829 . 1 1 66 66 VAL HG11 H 1 1.05 0.03 . 2 . . . . 66 VAL HG1 . 15403 1 830 . 1 1 66 66 VAL HG12 H 1 1.05 0.03 . 2 . . . . 66 VAL HG1 . 15403 1 831 . 1 1 66 66 VAL HG13 H 1 1.05 0.03 . 2 . . . . 66 VAL HG1 . 15403 1 832 . 1 1 66 66 VAL HG21 H 1 1.02 0.03 . 2 . . . . 66 VAL HG2 . 15403 1 833 . 1 1 66 66 VAL HG22 H 1 1.02 0.03 . 2 . . . . 66 VAL HG2 . 15403 1 834 . 1 1 66 66 VAL HG23 H 1 1.02 0.03 . 2 . . . . 66 VAL HG2 . 15403 1 835 . 1 1 66 66 VAL C C 13 175.55 0.3 . 1 . . . . 66 VAL C . 15403 1 836 . 1 1 66 66 VAL CA C 13 62.13 0.3 . 1 . . . . 66 VAL CA . 15403 1 837 . 1 1 66 66 VAL CB C 13 35.10 0.3 . 1 . . . . 66 VAL CB . 15403 1 838 . 1 1 66 66 VAL CG1 C 13 22.93 0.3 . 2 . . . . 66 VAL CG1 . 15403 1 839 . 1 1 66 66 VAL CG2 C 13 21.90 0.3 . 2 . . . . 66 VAL CG2 . 15403 1 840 . 1 1 66 66 VAL N N 15 119.33 0.1 . 1 . . . . 66 VAL N . 15403 1 841 . 1 1 67 67 GLN H H 1 9.69 0.03 . 1 . . . . 67 GLN H . 15403 1 842 . 1 1 67 67 GLN HA H 1 4.05 0.03 . 1 . . . . 67 GLN HA . 15403 1 843 . 1 1 67 67 GLN HB2 H 1 2.36 0.03 . 2 . . . . 67 GLN HB2 . 15403 1 844 . 1 1 67 67 GLN HB3 H 1 2.52 0.03 . 2 . . . . 67 GLN HB3 . 15403 1 845 . 1 1 67 67 GLN HE21 H 1 7.73 0.03 . 1 . . . . 67 GLN HE21 . 15403 1 846 . 1 1 67 67 GLN HE22 H 1 6.94 0.03 . 1 . . . . 67 GLN HE22 . 15403 1 847 . 1 1 67 67 GLN HG2 H 1 2.56 0.03 . 2 . . . . 67 GLN HG2 . 15403 1 848 . 1 1 67 67 GLN HG3 H 1 2.59 0.03 . 2 . . . . 67 GLN HG3 . 15403 1 849 . 1 1 67 67 GLN C C 13 176.30 0.3 . 1 . . . . 67 GLN C . 15403 1 850 . 1 1 67 67 GLN CA C 13 56.72 0.3 . 1 . . . . 67 GLN CA . 15403 1 851 . 1 1 67 67 GLN CB C 13 28.23 0.3 . 1 . . . . 67 GLN CB . 15403 1 852 . 1 1 67 67 GLN CG C 13 35.25 0.3 . 1 . . . . 67 GLN CG . 15403 1 853 . 1 1 67 67 GLN N N 15 125.93 0.1 . 1 . . . . 67 GLN N . 15403 1 854 . 1 1 67 67 GLN NE2 N 15 111.38 0.1 . 1 . . . . 67 GLN NE2 . 15403 1 855 . 1 1 68 68 GLY H H 1 8.98 0.03 . 1 . . . . 68 GLY H . 15403 1 856 . 1 1 68 68 GLY HA2 H 1 3.51 0.03 . 2 . . . . 68 GLY HA2 . 15403 1 857 . 1 1 68 68 GLY HA3 H 1 4.14 0.03 . 2 . . . . 68 GLY HA3 . 15403 1 858 . 1 1 68 68 GLY C C 13 173.41 0.3 . 1 . . . . 68 GLY C . 15403 1 859 . 1 1 68 68 GLY CA C 13 45.46 0.3 . 1 . . . . 68 GLY CA . 15403 1 860 . 1 1 68 68 GLY N N 15 103.51 0.1 . 1 . . . . 68 GLY N . 15403 1 861 . 1 1 69 69 ARG H H 1 8.07 0.03 . 1 . . . . 69 ARG H . 15403 1 862 . 1 1 69 69 ARG HA H 1 4.40 0.03 . 1 . . . . 69 ARG HA . 15403 1 863 . 1 1 69 69 ARG HB2 H 1 1.47 0.03 . 2 . . . . 69 ARG HB2 . 15403 1 864 . 1 1 69 69 ARG HB3 H 1 1.54 0.03 . 2 . . . . 69 ARG HB3 . 15403 1 865 . 1 1 69 69 ARG HD2 H 1 1.63 0.03 . 2 . . . . 69 ARG HD2 . 15403 1 866 . 1 1 69 69 ARG HD3 H 1 1.97 0.03 . 2 . . . . 69 ARG HD3 . 15403 1 867 . 1 1 69 69 ARG HG2 H 1 1.04 0.03 . 2 . . . . 69 ARG HG2 . 15403 1 868 . 1 1 69 69 ARG HG3 H 1 1.17 0.03 . 2 . . . . 69 ARG HG3 . 15403 1 869 . 1 1 69 69 ARG C C 13 174.88 0.3 . 1 . . . . 69 ARG C . 15403 1 870 . 1 1 69 69 ARG CA C 13 54.73 0.3 . 1 . . . . 69 ARG CA . 15403 1 871 . 1 1 69 69 ARG CB C 13 31.52 0.3 . 1 . . . . 69 ARG CB . 15403 1 872 . 1 1 69 69 ARG CD C 13 42.23 0.3 . 1 . . . . 69 ARG CD . 15403 1 873 . 1 1 69 69 ARG CG C 13 26.62 0.3 . 1 . . . . 69 ARG CG . 15403 1 874 . 1 1 69 69 ARG N N 15 122.68 0.1 . 1 . . . . 69 ARG N . 15403 1 875 . 1 1 70 70 LYS H H 1 8.39 0.03 . 1 . . . . 70 LYS H . 15403 1 876 . 1 1 70 70 LYS HA H 1 4.22 0.03 . 1 . . . . 70 LYS HA . 15403 1 877 . 1 1 70 70 LYS HB2 H 1 1.69 0.03 . 2 . . . . 70 LYS HB2 . 15403 1 878 . 1 1 70 70 LYS HB3 H 1 1.69 0.03 . 2 . . . . 70 LYS HB3 . 15403 1 879 . 1 1 70 70 LYS HD2 H 1 1.66 0.03 . 2 . . . . 70 LYS HD2 . 15403 1 880 . 1 1 70 70 LYS HD3 H 1 1.69 0.03 . 2 . . . . 70 LYS HD3 . 15403 1 881 . 1 1 70 70 LYS HE2 H 1 2.93 0.03 . 2 . . . . 70 LYS HE2 . 15403 1 882 . 1 1 70 70 LYS HE3 H 1 2.96 0.03 . 2 . . . . 70 LYS HE3 . 15403 1 883 . 1 1 70 70 LYS HG2 H 1 1.18 0.03 . 2 . . . . 70 LYS HG2 . 15403 1 884 . 1 1 70 70 LYS HG3 H 1 1.39 0.03 . 2 . . . . 70 LYS HG3 . 15403 1 885 . 1 1 70 70 LYS C C 13 175.33 0.3 . 1 . . . . 70 LYS C . 15403 1 886 . 1 1 70 70 LYS CA C 13 57.86 0.3 . 1 . . . . 70 LYS CA . 15403 1 887 . 1 1 70 70 LYS CB C 13 32.79 0.3 . 1 . . . . 70 LYS CB . 15403 1 888 . 1 1 70 70 LYS CD C 13 29.37 0.3 . 1 . . . . 70 LYS CD . 15403 1 889 . 1 1 70 70 LYS CE C 13 41.81 0.3 . 1 . . . . 70 LYS CE . 15403 1 890 . 1 1 70 70 LYS CG C 13 25.09 0.3 . 1 . . . . 70 LYS CG . 15403 1 891 . 1 1 70 70 LYS N N 15 123.59 0.1 . 1 . . . . 70 LYS N . 15403 1 892 . 1 1 71 71 VAL H H 1 9.05 0.03 . 1 . . . . 71 VAL H . 15403 1 893 . 1 1 71 71 VAL HA H 1 4.14 0.03 . 1 . . . . 71 VAL HA . 15403 1 894 . 1 1 71 71 VAL HB H 1 0.59 0.03 . 1 . . . . 71 VAL HB . 15403 1 895 . 1 1 71 71 VAL HG11 H 1 0.80 0.03 . 2 . . . . 71 VAL HG1 . 15403 1 896 . 1 1 71 71 VAL HG12 H 1 0.80 0.03 . 2 . . . . 71 VAL HG1 . 15403 1 897 . 1 1 71 71 VAL HG13 H 1 0.80 0.03 . 2 . . . . 71 VAL HG1 . 15403 1 898 . 1 1 71 71 VAL HG21 H 1 0.54 0.03 . 2 . . . . 71 VAL HG2 . 15403 1 899 . 1 1 71 71 VAL HG22 H 1 0.54 0.03 . 2 . . . . 71 VAL HG2 . 15403 1 900 . 1 1 71 71 VAL HG23 H 1 0.54 0.03 . 2 . . . . 71 VAL HG2 . 15403 1 901 . 1 1 71 71 VAL C C 13 173.31 0.3 . 1 . . . . 71 VAL C . 15403 1 902 . 1 1 71 71 VAL CA C 13 61.37 0.3 . 1 . . . . 71 VAL CA . 15403 1 903 . 1 1 71 71 VAL CB C 13 34.61 0.3 . 1 . . . . 71 VAL CB . 15403 1 904 . 1 1 71 71 VAL CG1 C 13 22.08 0.3 . 2 . . . . 71 VAL CG1 . 15403 1 905 . 1 1 71 71 VAL CG2 C 13 22.08 0.3 . 2 . . . . 71 VAL CG2 . 15403 1 906 . 1 1 71 71 VAL N N 15 128.34 0.1 . 1 . . . . 71 VAL N . 15403 1 907 . 1 1 72 72 GLU H H 1 8.15 0.03 . 1 . . . . 72 GLU H . 15403 1 908 . 1 1 72 72 GLU HA H 1 4.97 0.03 . 1 . . . . 72 GLU HA . 15403 1 909 . 1 1 72 72 GLU HB2 H 1 1.95 0.03 . 2 . . . . 72 GLU HB2 . 15403 1 910 . 1 1 72 72 GLU HB3 H 1 1.95 0.03 . 2 . . . . 72 GLU HB3 . 15403 1 911 . 1 1 72 72 GLU HG2 H 1 2.14 0.03 . 2 . . . . 72 GLU HG2 . 15403 1 912 . 1 1 72 72 GLU HG3 H 1 2.28 0.03 . 2 . . . . 72 GLU HG3 . 15403 1 913 . 1 1 72 72 GLU C C 13 174.91 0.3 . 1 . . . . 72 GLU C . 15403 1 914 . 1 1 72 72 GLU CA C 13 54.49 0.3 . 1 . . . . 72 GLU CA . 15403 1 915 . 1 1 72 72 GLU CB C 13 31.41 0.3 . 1 . . . . 72 GLU CB . 15403 1 916 . 1 1 72 72 GLU CG C 13 36.34 0.3 . 1 . . . . 72 GLU CG . 15403 1 917 . 1 1 72 72 GLU N N 15 124.43 0.1 . 1 . . . . 72 GLU N . 15403 1 918 . 1 1 73 73 ALA H H 1 8.42 0.03 . 1 . . . . 73 ALA H . 15403 1 919 . 1 1 73 73 ALA HA H 1 4.77 0.03 . 1 . . . . 73 ALA HA . 15403 1 920 . 1 1 73 73 ALA HB1 H 1 1.25 0.03 . 1 . . . . 73 ALA HB . 15403 1 921 . 1 1 73 73 ALA HB2 H 1 1.25 0.03 . 1 . . . . 73 ALA HB . 15403 1 922 . 1 1 73 73 ALA HB3 H 1 1.25 0.03 . 1 . . . . 73 ALA HB . 15403 1 923 . 1 1 73 73 ALA C C 13 175.14 0.3 . 1 . . . . 73 ALA C . 15403 1 924 . 1 1 73 73 ALA CA C 13 51.05 0.3 . 1 . . . . 73 ALA CA . 15403 1 925 . 1 1 73 73 ALA CB C 13 23.06 0.3 . 1 . . . . 73 ALA CB . 15403 1 926 . 1 1 73 73 ALA N N 15 124.79 0.1 . 1 . . . . 73 ALA N . 15403 1 927 . 1 1 74 74 GLU H H 1 8.52 0.03 . 1 . . . . 74 GLU H . 15403 1 928 . 1 1 74 74 GLU HA H 1 5.26 0.03 . 1 . . . . 74 GLU HA . 15403 1 929 . 1 1 74 74 GLU HB2 H 1 1.94 0.03 . 2 . . . . 74 GLU HB2 . 15403 1 930 . 1 1 74 74 GLU HB3 H 1 2.06 0.03 . 2 . . . . 74 GLU HB3 . 15403 1 931 . 1 1 74 74 GLU HG2 H 1 2.27 0.03 . 2 . . . . 74 GLU HG2 . 15403 1 932 . 1 1 74 74 GLU HG3 H 1 2.59 0.03 . 2 . . . . 74 GLU HG3 . 15403 1 933 . 1 1 74 74 GLU C C 13 176.57 0.3 . 1 . . . . 74 GLU C . 15403 1 934 . 1 1 74 74 GLU CA C 13 55.77 0.3 . 1 . . . . 74 GLU CA . 15403 1 935 . 1 1 74 74 GLU CB C 13 29.84 0.3 . 1 . . . . 74 GLU CB . 15403 1 936 . 1 1 74 74 GLU CG C 13 37.04 0.3 . 1 . . . . 74 GLU CG . 15403 1 937 . 1 1 74 74 GLU N N 15 120.48 0.1 . 1 . . . . 74 GLU N . 15403 1 938 . 1 1 75 75 VAL H H 1 9.24 0.03 . 1 . . . . 75 VAL H . 15403 1 939 . 1 1 75 75 VAL HA H 1 5.73 0.03 . 1 . . . . 75 VAL HA . 15403 1 940 . 1 1 75 75 VAL HB H 1 1.98 0.03 . 1 . . . . 75 VAL HB . 15403 1 941 . 1 1 75 75 VAL HG11 H 1 0.70 0.03 . 2 . . . . 75 VAL HG1 . 15403 1 942 . 1 1 75 75 VAL HG12 H 1 0.70 0.03 . 2 . . . . 75 VAL HG1 . 15403 1 943 . 1 1 75 75 VAL HG13 H 1 0.70 0.03 . 2 . . . . 75 VAL HG1 . 15403 1 944 . 1 1 75 75 VAL HG21 H 1 0.62 0.03 . 2 . . . . 75 VAL HG2 . 15403 1 945 . 1 1 75 75 VAL HG22 H 1 0.62 0.03 . 2 . . . . 75 VAL HG2 . 15403 1 946 . 1 1 75 75 VAL HG23 H 1 0.62 0.03 . 2 . . . . 75 VAL HG2 . 15403 1 947 . 1 1 75 75 VAL C C 13 174.70 0.3 . 1 . . . . 75 VAL C . 15403 1 948 . 1 1 75 75 VAL CA C 13 57.95 0.3 . 1 . . . . 75 VAL CA . 15403 1 949 . 1 1 75 75 VAL CB C 13 36.54 0.3 . 1 . . . . 75 VAL CB . 15403 1 950 . 1 1 75 75 VAL CG1 C 13 21.04 0.3 . 2 . . . . 75 VAL CG1 . 15403 1 951 . 1 1 75 75 VAL CG2 C 13 21.04 0.3 . 2 . . . . 75 VAL CG2 . 15403 1 952 . 1 1 75 75 VAL N N 15 113.07 0.1 . 1 . . . . 75 VAL N . 15403 1 953 . 1 1 76 76 LEU H H 1 8.42 0.03 . 1 . . . . 76 LEU H . 15403 1 954 . 1 1 76 76 LEU HA H 1 5.11 0.03 . 1 . . . . 76 LEU HA . 15403 1 955 . 1 1 76 76 LEU HB2 H 1 1.70 0.03 . 2 . . . . 76 LEU HB2 . 15403 1 956 . 1 1 76 76 LEU HB3 H 1 1.94 0.03 . 2 . . . . 76 LEU HB3 . 15403 1 957 . 1 1 76 76 LEU HD11 H 1 0.96 0.03 . 2 . . . . 76 LEU HD1 . 15403 1 958 . 1 1 76 76 LEU HD12 H 1 0.96 0.03 . 2 . . . . 76 LEU HD1 . 15403 1 959 . 1 1 76 76 LEU HD13 H 1 0.96 0.03 . 2 . . . . 76 LEU HD1 . 15403 1 960 . 1 1 76 76 LEU HD21 H 1 0.88 0.03 . 2 . . . . 76 LEU HD2 . 15403 1 961 . 1 1 76 76 LEU HD22 H 1 0.88 0.03 . 2 . . . . 76 LEU HD2 . 15403 1 962 . 1 1 76 76 LEU HD23 H 1 0.88 0.03 . 2 . . . . 76 LEU HD2 . 15403 1 963 . 1 1 76 76 LEU HG H 1 1.75 0.03 . 1 . . . . 76 LEU HG . 15403 1 964 . 1 1 76 76 LEU C C 13 176.97 0.3 . 1 . . . . 76 LEU C . 15403 1 965 . 1 1 76 76 LEU CA C 13 52.37 0.3 . 1 . . . . 76 LEU CA . 15403 1 966 . 1 1 76 76 LEU CB C 13 45.23 0.3 . 1 . . . . 76 LEU CB . 15403 1 967 . 1 1 76 76 LEU CD1 C 13 24.18 0.3 . 2 . . . . 76 LEU CD1 . 15403 1 968 . 1 1 76 76 LEU CD2 C 13 24.18 0.3 . 2 . . . . 76 LEU CD2 . 15403 1 969 . 1 1 76 76 LEU CG C 13 26.06 0.3 . 1 . . . . 76 LEU CG . 15403 1 970 . 1 1 76 76 LEU N N 15 117.79 0.1 . 1 . . . . 76 LEU N . 15403 1 971 . 1 1 77 77 ALA H H 1 8.93 0.03 . 1 . . . . 77 ALA H . 15403 1 972 . 1 1 77 77 ALA HA H 1 4.50 0.03 . 1 . . . . 77 ALA HA . 15403 1 973 . 1 1 77 77 ALA HB1 H 1 1.35 0.03 . 1 . . . . 77 ALA HB . 15403 1 974 . 1 1 77 77 ALA HB2 H 1 1.35 0.03 . 1 . . . . 77 ALA HB . 15403 1 975 . 1 1 77 77 ALA HB3 H 1 1.35 0.03 . 1 . . . . 77 ALA HB . 15403 1 976 . 1 1 77 77 ALA C C 13 177.95 0.3 . 1 . . . . 77 ALA C . 15403 1 977 . 1 1 77 77 ALA CA C 13 52.09 0.3 . 1 . . . . 77 ALA CA . 15403 1 978 . 1 1 77 77 ALA CB C 13 20.28 0.3 . 1 . . . . 77 ALA CB . 15403 1 979 . 1 1 77 77 ALA N N 15 122.21 0.1 . 1 . . . . 77 ALA N . 15403 1 980 . 1 1 78 78 SER H H 1 8.38 0.03 . 1 . . . . 78 SER H . 15403 1 981 . 1 1 78 78 SER HA H 1 5.01 0.03 . 1 . . . . 78 SER HA . 15403 1 982 . 1 1 78 78 SER HB2 H 1 3.31 0.03 . 2 . . . . 78 SER HB2 . 15403 1 983 . 1 1 78 78 SER HB3 H 1 3.69 0.03 . 2 . . . . 78 SER HB3 . 15403 1 984 . 1 1 78 78 SER CA C 13 54.23 0.3 . 1 . . . . 78 SER CA . 15403 1 985 . 1 1 78 78 SER CB C 13 66.05 0.3 . 1 . . . . 78 SER CB . 15403 1 986 . 1 1 78 78 SER N N 15 117.83 0.1 . 1 . . . . 78 SER N . 15403 1 987 . 1 1 79 79 PRO HA H 1 4.66 0.03 . 1 . . . . 79 PRO HA . 15403 1 988 . 1 1 79 79 PRO HB2 H 1 1.80 0.03 . 2 . . . . 79 PRO HB2 . 15403 1 989 . 1 1 79 79 PRO HB3 H 1 1.97 0.03 . 2 . . . . 79 PRO HB3 . 15403 1 990 . 1 1 79 79 PRO HD2 H 1 3.29 0.03 . 2 . . . . 79 PRO HD2 . 15403 1 991 . 1 1 79 79 PRO HD3 H 1 3.52 0.03 . 2 . . . . 79 PRO HD3 . 15403 1 992 . 1 1 79 79 PRO HG2 H 1 0.90 0.03 . 2 . . . . 79 PRO HG2 . 15403 1 993 . 1 1 79 79 PRO HG3 H 1 1.75 0.03 . 2 . . . . 79 PRO HG3 . 15403 1 994 . 1 1 79 79 PRO C C 13 176.15 0.3 . 1 . . . . 79 PRO C . 15403 1 995 . 1 1 79 79 PRO CA C 13 62.86 0.3 . 1 . . . . 79 PRO CA . 15403 1 996 . 1 1 79 79 PRO CB C 13 31.23 0.3 . 1 . . . . 79 PRO CB . 15403 1 997 . 1 1 79 79 PRO CD C 13 50.47 0.3 . 1 . . . . 79 PRO CD . 15403 1 998 . 1 1 79 79 PRO CG C 13 25.49 0.3 . 1 . . . . 79 PRO CG . 15403 1 999 . 1 1 80 80 TYR H H 1 7.38 0.03 . 1 . . . . 80 TYR H . 15403 1 1000 . 1 1 80 80 TYR HA H 1 4.71 0.03 . 1 . . . . 80 TYR HA . 15403 1 1001 . 1 1 80 80 TYR HB2 H 1 2.12 0.03 . 2 . . . . 80 TYR HB2 . 15403 1 1002 . 1 1 80 80 TYR HB3 H 1 2.50 0.03 . 2 . . . . 80 TYR HB3 . 15403 1 1003 . 1 1 80 80 TYR HD1 H 1 6.96 0.03 . 1 . . . . 80 TYR HD1 . 15403 1 1004 . 1 1 80 80 TYR HD2 H 1 6.96 0.03 . 1 . . . . 80 TYR HD2 . 15403 1 1005 . 1 1 80 80 TYR HE1 H 1 6.85 0.03 . 1 . . . . 80 TYR HE1 . 15403 1 1006 . 1 1 80 80 TYR HE2 H 1 6.85 0.03 . 1 . . . . 80 TYR HE2 . 15403 1 1007 . 1 1 80 80 TYR C C 13 175.55 0.3 . 1 . . . . 80 TYR C . 15403 1 1008 . 1 1 80 80 TYR CA C 13 56.15 0.3 . 1 . . . . 80 TYR CA . 15403 1 1009 . 1 1 80 80 TYR CB C 13 38.49 0.3 . 1 . . . . 80 TYR CB . 15403 1 1010 . 1 1 80 80 TYR CD1 C 13 132.55 0.3 . 1 . . . . 80 TYR CD1 . 15403 1 1011 . 1 1 80 80 TYR CD2 C 13 132.55 0.3 . 1 . . . . 80 TYR CD2 . 15403 1 1012 . 1 1 80 80 TYR CE1 C 13 118.02 0.3 . 1 . . . . 80 TYR CE1 . 15403 1 1013 . 1 1 80 80 TYR CE2 C 13 118.02 0.3 . 1 . . . . 80 TYR CE2 . 15403 1 1014 . 1 1 80 80 TYR N N 15 120.86 0.1 . 1 . . . . 80 TYR N . 15403 1 1015 . 1 1 81 81 ASP H H 1 8.29 0.03 . 1 . . . . 81 ASP H . 15403 1 1016 . 1 1 81 81 ASP HA H 1 4.64 0.03 . 1 . . . . 81 ASP HA . 15403 1 1017 . 1 1 81 81 ASP HB2 H 1 2.76 0.03 . 2 . . . . 81 ASP HB2 . 15403 1 1018 . 1 1 81 81 ASP HB3 H 1 3.05 0.03 . 2 . . . . 81 ASP HB3 . 15403 1 1019 . 1 1 81 81 ASP C C 13 175.29 0.3 . 1 . . . . 81 ASP C . 15403 1 1020 . 1 1 81 81 ASP CA C 13 53.56 0.3 . 1 . . . . 81 ASP CA . 15403 1 1021 . 1 1 81 81 ASP CB C 13 40.65 0.3 . 1 . . . . 81 ASP CB . 15403 1 1022 . 1 1 81 81 ASP N N 15 115.60 0.1 . 1 . . . . 81 ASP N . 15403 1 1023 . 1 1 82 82 TYR H H 1 6.68 0.03 . 1 . . . . 82 TYR H . 15403 1 1024 . 1 1 82 82 TYR HA H 1 5.16 0.03 . 1 . . . . 82 TYR HA . 15403 1 1025 . 1 1 82 82 TYR HB2 H 1 2.88 0.03 . 2 . . . . 82 TYR HB2 . 15403 1 1026 . 1 1 82 82 TYR HB3 H 1 2.88 0.03 . 2 . . . . 82 TYR HB3 . 15403 1 1027 . 1 1 82 82 TYR HD1 H 1 6.90 0.03 . 1 . . . . 82 TYR HD1 . 15403 1 1028 . 1 1 82 82 TYR HD2 H 1 6.90 0.03 . 1 . . . . 82 TYR HD2 . 15403 1 1029 . 1 1 82 82 TYR HE1 H 1 6.52 0.03 . 1 . . . . 82 TYR HE1 . 15403 1 1030 . 1 1 82 82 TYR HE2 H 1 6.52 0.03 . 1 . . . . 82 TYR HE2 . 15403 1 1031 . 1 1 82 82 TYR C C 13 173.93 0.3 . 1 . . . . 82 TYR C . 15403 1 1032 . 1 1 82 82 TYR CA C 13 53.19 0.3 . 1 . . . . 82 TYR CA . 15403 1 1033 . 1 1 82 82 TYR CB C 13 40.82 0.3 . 1 . . . . 82 TYR CB . 15403 1 1034 . 1 1 82 82 TYR CD1 C 13 134.13 0.3 . 1 . . . . 82 TYR CD1 . 15403 1 1035 . 1 1 82 82 TYR CD2 C 13 134.14 0.3 . 1 . . . . 82 TYR CD2 . 15403 1 1036 . 1 1 82 82 TYR CE1 C 13 117.52 0.3 . 1 . . . . 82 TYR CE1 . 15403 1 1037 . 1 1 82 82 TYR CE2 C 13 117.52 0.3 . 1 . . . . 82 TYR CE2 . 15403 1 1038 . 1 1 82 82 TYR N N 15 116.10 0.1 . 1 . . . . 82 TYR N . 15403 1 1039 . 1 1 83 83 ILE H H 1 8.90 0.03 . 1 . . . . 83 ILE H . 15403 1 1040 . 1 1 83 83 ILE HA H 1 4.48 0.03 . 1 . . . . 83 ILE HA . 15403 1 1041 . 1 1 83 83 ILE HB H 1 1.64 0.03 . 1 . . . . 83 ILE HB . 15403 1 1042 . 1 1 83 83 ILE HD11 H 1 0.47 0.03 . 1 . . . . 83 ILE HD1 . 15403 1 1043 . 1 1 83 83 ILE HD12 H 1 0.47 0.03 . 1 . . . . 83 ILE HD1 . 15403 1 1044 . 1 1 83 83 ILE HD13 H 1 0.47 0.03 . 1 . . . . 83 ILE HD1 . 15403 1 1045 . 1 1 83 83 ILE HG12 H 1 1.68 0.03 . 2 . . . . 83 ILE HG12 . 15403 1 1046 . 1 1 83 83 ILE HG13 H 1 0.63 0.03 . 2 . . . . 83 ILE HG13 . 15403 1 1047 . 1 1 83 83 ILE HG21 H 1 0.73 0.03 . 1 . . . . 83 ILE HG2 . 15403 1 1048 . 1 1 83 83 ILE HG22 H 1 0.73 0.03 . 1 . . . . 83 ILE HG2 . 15403 1 1049 . 1 1 83 83 ILE HG23 H 1 0.73 0.03 . 1 . . . . 83 ILE HG2 . 15403 1 1050 . 1 1 83 83 ILE C C 13 175.16 0.3 . 1 . . . . 83 ILE C . 15403 1 1051 . 1 1 83 83 ILE CA C 13 60.94 0.3 . 1 . . . . 83 ILE CA . 15403 1 1052 . 1 1 83 83 ILE CB C 13 40.98 0.3 . 1 . . . . 83 ILE CB . 15403 1 1053 . 1 1 83 83 ILE CD1 C 13 15.24 0.3 . 1 . . . . 83 ILE CD1 . 15403 1 1054 . 1 1 83 83 ILE CG1 C 13 28.28 0.3 . 1 . . . . 83 ILE CG1 . 15403 1 1055 . 1 1 83 83 ILE CG2 C 13 16.83 0.3 . 1 . . . . 83 ILE CG2 . 15403 1 1056 . 1 1 83 83 ILE N N 15 119.05 0.1 . 1 . . . . 83 ILE N . 15403 1 1057 . 1 1 84 84 LEU H H 1 8.74 0.03 . 1 . . . . 84 LEU H . 15403 1 1058 . 1 1 84 84 LEU HA H 1 5.14 0.03 . 1 . . . . 84 LEU HA . 15403 1 1059 . 1 1 84 84 LEU HB2 H 1 1.68 0.03 . 2 . . . . 84 LEU HB2 . 15403 1 1060 . 1 1 84 84 LEU HB3 H 1 1.86 0.03 . 2 . . . . 84 LEU HB3 . 15403 1 1061 . 1 1 84 84 LEU HD11 H 1 1.10 0.03 . 2 . . . . 84 LEU HD1 . 15403 1 1062 . 1 1 84 84 LEU HD12 H 1 1.10 0.03 . 2 . . . . 84 LEU HD1 . 15403 1 1063 . 1 1 84 84 LEU HD13 H 1 1.10 0.03 . 2 . . . . 84 LEU HD1 . 15403 1 1064 . 1 1 84 84 LEU HD21 H 1 1.10 0.03 . 2 . . . . 84 LEU HD2 . 15403 1 1065 . 1 1 84 84 LEU HD22 H 1 1.10 0.03 . 2 . . . . 84 LEU HD2 . 15403 1 1066 . 1 1 84 84 LEU HD23 H 1 1.10 0.03 . 2 . . . . 84 LEU HD2 . 15403 1 1067 . 1 1 84 84 LEU HG H 1 1.63 0.03 . 1 . . . . 84 LEU HG . 15403 1 1068 . 1 1 84 84 LEU C C 13 174.92 0.3 . 1 . . . . 84 LEU C . 15403 1 1069 . 1 1 84 84 LEU CA C 13 53.80 0.3 . 1 . . . . 84 LEU CA . 15403 1 1070 . 1 1 84 84 LEU CB C 13 44.10 0.3 . 1 . . . . 84 LEU CB . 15403 1 1071 . 1 1 84 84 LEU CD1 C 13 25.22 0.3 . 2 . . . . 84 LEU CD1 . 15403 1 1072 . 1 1 84 84 LEU CD2 C 13 25.22 0.3 . 2 . . . . 84 LEU CD2 . 15403 1 1073 . 1 1 84 84 LEU CG C 13 27.28 0.3 . 1 . . . . 84 LEU CG . 15403 1 1074 . 1 1 84 84 LEU N N 15 130.66 0.1 . 1 . . . . 84 LEU N . 15403 1 1075 . 1 1 85 85 LEU H H 1 9.01 0.03 . 1 . . . . 85 LEU H . 15403 1 1076 . 1 1 85 85 LEU HA H 1 4.47 0.03 . 1 . . . . 85 LEU HA . 15403 1 1077 . 1 1 85 85 LEU HB2 H 1 1.31 0.03 . 2 . . . . 85 LEU HB2 . 15403 1 1078 . 1 1 85 85 LEU HB3 H 1 1.45 0.03 . 2 . . . . 85 LEU HB3 . 15403 1 1079 . 1 1 85 85 LEU HD11 H 1 0.88 0.03 . 2 . . . . 85 LEU HD1 . 15403 1 1080 . 1 1 85 85 LEU HD12 H 1 0.88 0.03 . 2 . . . . 85 LEU HD1 . 15403 1 1081 . 1 1 85 85 LEU HD13 H 1 0.88 0.03 . 2 . . . . 85 LEU HD1 . 15403 1 1082 . 1 1 85 85 LEU HD21 H 1 0.88 0.03 . 2 . . . . 85 LEU HD2 . 15403 1 1083 . 1 1 85 85 LEU HD22 H 1 0.88 0.03 . 2 . . . . 85 LEU HD2 . 15403 1 1084 . 1 1 85 85 LEU HD23 H 1 0.88 0.03 . 2 . . . . 85 LEU HD2 . 15403 1 1085 . 1 1 85 85 LEU HG H 1 0.88 0.03 . 1 . . . . 85 LEU HG . 15403 1 1086 . 1 1 85 85 LEU C C 13 174.66 0.3 . 1 . . . . 85 LEU C . 15403 1 1087 . 1 1 85 85 LEU CA C 13 54.08 0.3 . 1 . . . . 85 LEU CA . 15403 1 1088 . 1 1 85 85 LEU CB C 13 44.35 0.3 . 1 . . . . 85 LEU CB . 15403 1 1089 . 1 1 85 85 LEU CD1 C 13 25.26 0.3 . 2 . . . . 85 LEU CD1 . 15403 1 1090 . 1 1 85 85 LEU CD2 C 13 25.26 0.3 . 2 . . . . 85 LEU CD2 . 15403 1 1091 . 1 1 85 85 LEU CG C 13 25.26 0.3 . 1 . . . . 85 LEU CG . 15403 1 1092 . 1 1 85 85 LEU N N 15 125.21 0.1 . 1 . . . . 85 LEU N . 15403 1 1093 . 1 1 86 86 ASN H H 1 8.37 0.03 . 1 . . . . 86 ASN H . 15403 1 1094 . 1 1 86 86 ASN HA H 1 4.68 0.03 . 1 . . . . 86 ASN HA . 15403 1 1095 . 1 1 86 86 ASN HB2 H 1 2.29 0.03 . 2 . . . . 86 ASN HB2 . 15403 1 1096 . 1 1 86 86 ASN HB3 H 1 3.11 0.03 . 2 . . . . 86 ASN HB3 . 15403 1 1097 . 1 1 86 86 ASN HD21 H 1 6.73 0.03 . 1 . . . . 86 ASN HD21 . 15403 1 1098 . 1 1 86 86 ASN HD22 H 1 6.50 0.03 . 1 . . . . 86 ASN HD22 . 15403 1 1099 . 1 1 86 86 ASN CA C 13 49.78 0.3 . 1 . . . . 86 ASN CA . 15403 1 1100 . 1 1 86 86 ASN CB C 13 38.89 0.3 . 1 . . . . 86 ASN CB . 15403 1 1101 . 1 1 86 86 ASN N N 15 122.97 0.1 . 1 . . . . 86 ASN N . 15403 1 1102 . 1 1 86 86 ASN ND2 N 15 110.12 0.1 . 1 . . . . 86 ASN ND2 . 15403 1 1103 . 1 1 87 87 PRO HA H 1 3.60 0.03 . 1 . . . . 87 PRO HA . 15403 1 1104 . 1 1 87 87 PRO HB2 H 1 1.74 0.03 . 2 . . . . 87 PRO HB2 . 15403 1 1105 . 1 1 87 87 PRO HB3 H 1 2.13 0.03 . 2 . . . . 87 PRO HB3 . 15403 1 1106 . 1 1 87 87 PRO HD2 H 1 3.73 0.03 . 2 . . . . 87 PRO HD2 . 15403 1 1107 . 1 1 87 87 PRO HD3 H 1 4.22 0.03 . 2 . . . . 87 PRO HD3 . 15403 1 1108 . 1 1 87 87 PRO HG2 H 1 0.36 0.03 . 2 . . . . 87 PRO HG2 . 15403 1 1109 . 1 1 87 87 PRO HG3 H 1 1.49 0.03 . 2 . . . . 87 PRO HG3 . 15403 1 1110 . 1 1 87 87 PRO C C 13 178.74 0.3 . 1 . . . . 87 PRO C . 15403 1 1111 . 1 1 87 87 PRO CA C 13 65.05 0.3 . 1 . . . . 87 PRO CA . 15403 1 1112 . 1 1 87 87 PRO CB C 13 33.16 0.3 . 1 . . . . 87 PRO CB . 15403 1 1113 . 1 1 87 87 PRO CD C 13 50.97 0.3 . 1 . . . . 87 PRO CD . 15403 1 1114 . 1 1 87 87 PRO CG C 13 27.08 0.3 . 1 . . . . 87 PRO CG . 15403 1 1115 . 1 1 88 88 SER H H 1 7.58 0.03 . 1 . . . . 88 SER H . 15403 1 1116 . 1 1 88 88 SER HA H 1 4.10 0.03 . 1 . . . . 88 SER HA . 15403 1 1117 . 1 1 88 88 SER HB2 H 1 3.84 0.03 . 2 . . . . 88 SER HB2 . 15403 1 1118 . 1 1 88 88 SER HB3 H 1 3.84 0.03 . 2 . . . . 88 SER HB3 . 15403 1 1119 . 1 1 88 88 SER C C 13 175.48 0.3 . 1 . . . . 88 SER C . 15403 1 1120 . 1 1 88 88 SER CA C 13 60.73 0.3 . 1 . . . . 88 SER CA . 15403 1 1121 . 1 1 88 88 SER CB C 13 62.87 0.3 . 1 . . . . 88 SER CB . 15403 1 1122 . 1 1 88 88 SER N N 15 109.53 0.1 . 1 . . . . 88 SER N . 15403 1 1123 . 1 1 89 89 ASP H H 1 8.17 0.03 . 1 . . . . 89 ASP H . 15403 1 1124 . 1 1 89 89 ASP HA H 1 4.77 0.03 . 1 . . . . 89 ASP HA . 15403 1 1125 . 1 1 89 89 ASP HB2 H 1 2.60 0.03 . 2 . . . . 89 ASP HB2 . 15403 1 1126 . 1 1 89 89 ASP HB3 H 1 2.73 0.03 . 2 . . . . 89 ASP HB3 . 15403 1 1127 . 1 1 89 89 ASP C C 13 175.73 0.3 . 1 . . . . 89 ASP C . 15403 1 1128 . 1 1 89 89 ASP CA C 13 56.03 0.3 . 1 . . . . 89 ASP CA . 15403 1 1129 . 1 1 89 89 ASP CB C 13 41.38 0.3 . 1 . . . . 89 ASP CB . 15403 1 1130 . 1 1 89 89 ASP N N 15 118.60 0.1 . 1 . . . . 89 ASP N . 15403 1 1131 . 1 1 90 90 VAL H H 1 7.05 0.03 . 1 . . . . 90 VAL H . 15403 1 1132 . 1 1 90 90 VAL HA H 1 4.05 0.03 . 1 . . . . 90 VAL HA . 15403 1 1133 . 1 1 90 90 VAL HB H 1 1.26 0.03 . 1 . . . . 90 VAL HB . 15403 1 1134 . 1 1 90 90 VAL HG11 H 1 0.85 0.03 . 2 . . . . 90 VAL HG1 . 15403 1 1135 . 1 1 90 90 VAL HG12 H 1 0.85 0.03 . 2 . . . . 90 VAL HG1 . 15403 1 1136 . 1 1 90 90 VAL HG13 H 1 0.85 0.03 . 2 . . . . 90 VAL HG1 . 15403 1 1137 . 1 1 90 90 VAL HG21 H 1 0.58 0.03 . 2 . . . . 90 VAL HG2 . 15403 1 1138 . 1 1 90 90 VAL HG22 H 1 0.58 0.03 . 2 . . . . 90 VAL HG2 . 15403 1 1139 . 1 1 90 90 VAL HG23 H 1 0.58 0.03 . 2 . . . . 90 VAL HG2 . 15403 1 1140 . 1 1 90 90 VAL CA C 13 56.96 0.3 . 1 . . . . 90 VAL CA . 15403 1 1141 . 1 1 90 90 VAL CB C 13 31.71 0.3 . 1 . . . . 90 VAL CB . 15403 1 1142 . 1 1 90 90 VAL CG1 C 13 20.49 0.3 . 2 . . . . 90 VAL CG1 . 15403 1 1143 . 1 1 90 90 VAL CG2 C 13 23.72 0.3 . 2 . . . . 90 VAL CG2 . 15403 1 1144 . 1 1 90 90 VAL N N 15 109.58 0.1 . 1 . . . . 90 VAL N . 15403 1 1145 . 1 1 91 91 PRO HA H 1 4.25 0.03 . 1 . . . . 91 PRO HA . 15403 1 1146 . 1 1 91 91 PRO HB2 H 1 2.15 0.03 . 2 . . . . 91 PRO HB2 . 15403 1 1147 . 1 1 91 91 PRO HB3 H 1 2.29 0.03 . 2 . . . . 91 PRO HB3 . 15403 1 1148 . 1 1 91 91 PRO HD2 H 1 3.44 0.03 . 2 . . . . 91 PRO HD2 . 15403 1 1149 . 1 1 91 91 PRO HD3 H 1 3.52 0.03 . 2 . . . . 91 PRO HD3 . 15403 1 1150 . 1 1 91 91 PRO HG2 H 1 2.18 0.03 . 2 . . . . 91 PRO HG2 . 15403 1 1151 . 1 1 91 91 PRO HG3 H 1 2.18 0.03 . 2 . . . . 91 PRO HG3 . 15403 1 1152 . 1 1 91 91 PRO C C 13 176.87 0.3 . 1 . . . . 91 PRO C . 15403 1 1153 . 1 1 91 91 PRO CA C 13 65.19 0.3 . 1 . . . . 91 PRO CA . 15403 1 1154 . 1 1 91 91 PRO CB C 13 31.47 0.3 . 1 . . . . 91 PRO CB . 15403 1 1155 . 1 1 91 91 PRO CD C 13 50.47 0.3 . 1 . . . . 91 PRO CD . 15403 1 1156 . 1 1 91 91 PRO CG C 13 27.44 0.3 . 1 . . . . 91 PRO CG . 15403 1 1157 . 1 1 92 92 TRP H H 1 6.72 0.03 . 1 . . . . 92 TRP H . 15403 1 1158 . 1 1 92 92 TRP HA H 1 4.57 0.03 . 1 . . . . 92 TRP HA . 15403 1 1159 . 1 1 92 92 TRP HB2 H 1 3.31 0.03 . 2 . . . . 92 TRP HB2 . 15403 1 1160 . 1 1 92 92 TRP HB3 H 1 3.47 0.03 . 2 . . . . 92 TRP HB3 . 15403 1 1161 . 1 1 92 92 TRP HD1 H 1 7.24 0.03 . 1 . . . . 92 TRP HD1 . 15403 1 1162 . 1 1 92 92 TRP HE1 H 1 10.78 0.03 . 1 . . . . 92 TRP HE1 . 15403 1 1163 . 1 1 92 92 TRP HE3 H 1 7.51 0.03 . 1 . . . . 92 TRP HE3 . 15403 1 1164 . 1 1 92 92 TRP HH2 H 1 7.19 0.03 . 1 . . . . 92 TRP HH2 . 15403 1 1165 . 1 1 92 92 TRP HZ2 H 1 7.23 0.03 . 1 . . . . 92 TRP HZ2 . 15403 1 1166 . 1 1 92 92 TRP HZ3 H 1 7.24 0.03 . 1 . . . . 92 TRP HZ3 . 15403 1 1167 . 1 1 92 92 TRP C C 13 176.63 0.3 . 1 . . . . 92 TRP C . 15403 1 1168 . 1 1 92 92 TRP CA C 13 56.91 0.3 . 1 . . . . 92 TRP CA . 15403 1 1169 . 1 1 92 92 TRP CB C 13 27.99 0.3 . 1 . . . . 92 TRP CB . 15403 1 1170 . 1 1 92 92 TRP CD1 C 13 127.56 0.3 . 1 . . . . 92 TRP CD1 . 15403 1 1171 . 1 1 92 92 TRP CE3 C 13 119.96 0.3 . 1 . . . . 92 TRP CE3 . 15403 1 1172 . 1 1 92 92 TRP CH2 C 13 125.65 0.3 . 1 . . . . 92 TRP CH2 . 15403 1 1173 . 1 1 92 92 TRP CZ2 C 13 114.55 0.3 . 1 . . . . 92 TRP CZ2 . 15403 1 1174 . 1 1 92 92 TRP CZ3 C 13 122.91 0.3 . 1 . . . . 92 TRP CZ3 . 15403 1 1175 . 1 1 92 92 TRP N N 15 115.11 0.1 . 1 . . . . 92 TRP N . 15403 1 1176 . 1 1 92 92 TRP NE1 N 15 131.33 0.1 . 1 . . . . 92 TRP NE1 . 15403 1 1177 . 1 1 93 93 LEU H H 1 7.15 0.03 . 1 . . . . 93 LEU H . 15403 1 1178 . 1 1 93 93 LEU HA H 1 4.22 0.03 . 1 . . . . 93 LEU HA . 15403 1 1179 . 1 1 93 93 LEU HB2 H 1 1.18 0.03 . 2 . . . . 93 LEU HB2 . 15403 1 1180 . 1 1 93 93 LEU HB3 H 1 1.24 0.03 . 2 . . . . 93 LEU HB3 . 15403 1 1181 . 1 1 93 93 LEU HD11 H 1 0.66 0.03 . 2 . . . . 93 LEU HD1 . 15403 1 1182 . 1 1 93 93 LEU HD12 H 1 0.66 0.03 . 2 . . . . 93 LEU HD1 . 15403 1 1183 . 1 1 93 93 LEU HD13 H 1 0.66 0.03 . 2 . . . . 93 LEU HD1 . 15403 1 1184 . 1 1 93 93 LEU HD21 H 1 0.75 0.03 . 2 . . . . 93 LEU HD2 . 15403 1 1185 . 1 1 93 93 LEU HD22 H 1 0.75 0.03 . 2 . . . . 93 LEU HD2 . 15403 1 1186 . 1 1 93 93 LEU HD23 H 1 0.75 0.03 . 2 . . . . 93 LEU HD2 . 15403 1 1187 . 1 1 93 93 LEU HG H 1 0.80 0.03 . 1 . . . . 93 LEU HG . 15403 1 1188 . 1 1 93 93 LEU C C 13 176.21 0.3 . 1 . . . . 93 LEU C . 15403 1 1189 . 1 1 93 93 LEU CA C 13 55.35 0.3 . 1 . . . . 93 LEU CA . 15403 1 1190 . 1 1 93 93 LEU CB C 13 42.19 0.3 . 1 . . . . 93 LEU CB . 15403 1 1191 . 1 1 93 93 LEU CD1 C 13 25.22 0.3 . 2 . . . . 93 LEU CD1 . 15403 1 1192 . 1 1 93 93 LEU CD2 C 13 24.22 0.3 . 2 . . . . 93 LEU CD2 . 15403 1 1193 . 1 1 93 93 LEU CG C 13 26.24 0.3 . 1 . . . . 93 LEU CG . 15403 1 1194 . 1 1 93 93 LEU N N 15 123.09 0.1 . 1 . . . . 93 LEU N . 15403 1 1195 . 1 1 94 94 MET H H 1 7.73 0.03 . 1 . . . . 94 MET H . 15403 1 1196 . 1 1 94 94 MET HA H 1 4.34 0.03 . 1 . . . . 94 MET HA . 15403 1 1197 . 1 1 94 94 MET HB2 H 1 1.90 0.03 . 2 . . . . 94 MET HB2 . 15403 1 1198 . 1 1 94 94 MET HB3 H 1 2.00 0.03 . 2 . . . . 94 MET HB3 . 15403 1 1199 . 1 1 94 94 MET HG2 H 1 2.33 0.03 . 2 . . . . 94 MET HG2 . 15403 1 1200 . 1 1 94 94 MET HG3 H 1 2.33 0.03 . 2 . . . . 94 MET HG3 . 15403 1 1201 . 1 1 94 94 MET C C 13 175.55 0.3 . 1 . . . . 94 MET C . 15403 1 1202 . 1 1 94 94 MET CA C 13 55.12 0.3 . 1 . . . . 94 MET CA . 15403 1 1203 . 1 1 94 94 MET CB C 13 32.63 0.3 . 1 . . . . 94 MET CB . 15403 1 1204 . 1 1 94 94 MET CG C 13 31.17 0.3 . 1 . . . . 94 MET CG . 15403 1 1205 . 1 1 94 94 MET N N 15 118.25 0.1 . 1 . . . . 94 MET N . 15403 1 1206 . 1 1 95 95 LYS H H 1 7.95 0.03 . 1 . . . . 95 LYS H . 15403 1 1207 . 1 1 95 95 LYS HA H 1 4.26 0.03 . 1 . . . . 95 LYS HA . 15403 1 1208 . 1 1 95 95 LYS HB2 H 1 1.66 0.03 . 2 . . . . 95 LYS HB2 . 15403 1 1209 . 1 1 95 95 LYS HB3 H 1 1.76 0.03 . 2 . . . . 95 LYS HB3 . 15403 1 1210 . 1 1 95 95 LYS C C 13 176.13 0.3 . 1 . . . . 95 LYS C . 15403 1 1211 . 1 1 95 95 LYS CA C 13 56.15 0.3 . 1 . . . . 95 LYS CA . 15403 1 1212 . 1 1 95 95 LYS CB C 13 33.01 0.3 . 1 . . . . 95 LYS CB . 15403 1 1213 . 1 1 95 95 LYS N N 15 121.65 0.1 . 1 . . . . 95 LYS N . 15403 1 1214 . 1 1 96 96 LYS H H 1 8.26 0.03 . 1 . . . . 96 LYS H . 15403 1 1215 . 1 1 96 96 LYS N N 15 123.57 0.1 . 1 . . . . 96 LYS N . 15403 1 1216 . 1 1 97 97 PRO HA H 1 4.53 0.03 . 1 . . . . 97 PRO HA . 15403 1 1217 . 1 1 97 97 PRO HB2 H 1 2.05 0.03 . 2 . . . . 97 PRO HB2 . 15403 1 1218 . 1 1 97 97 PRO HB3 H 1 2.69 0.03 . 2 . . . . 97 PRO HB3 . 15403 1 1219 . 1 1 97 97 PRO C C 13 176.83 0.3 . 1 . . . . 97 PRO C . 15403 1 1220 . 1 1 97 97 PRO CA C 13 63.18 0.3 . 1 . . . . 97 PRO CA . 15403 1 1221 . 1 1 97 97 PRO CB C 13 32.05 0.3 . 1 . . . . 97 PRO CB . 15403 1 1222 . 1 1 97 97 PRO CD C 13 50.87 0.3 . 1 . . . . 97 PRO CD . 15403 1 1223 . 1 1 97 97 PRO CG C 13 27.38 0.3 . 1 . . . . 97 PRO CG . 15403 1 1224 . 1 1 98 98 LEU H H 1 8.34 0.03 . 1 . . . . 98 LEU H . 15403 1 1225 . 1 1 98 98 LEU CA C 13 55.53 0.3 . 1 . . . . 98 LEU CA . 15403 1 1226 . 1 1 98 98 LEU CB C 13 42.46 0.3 . 1 . . . . 98 LEU CB . 15403 1 1227 . 1 1 98 98 LEU N N 15 122.12 0.1 . 1 . . . . 98 LEU N . 15403 1 1228 . 1 1 99 99 GLN C C 13 175.69 0.3 . 1 . . . . 99 GLN C . 15403 1 1229 . 1 1 99 99 GLN CA C 13 55.49 0.3 . 1 . . . . 99 GLN CA . 15403 1 1230 . 1 1 99 99 GLN CB C 13 29.47 0.3 . 1 . . . . 99 GLN CB . 15403 1 1231 . 1 1 100 100 LEU H H 1 8.33 0.03 . 1 . . . . 100 LEU H . 15403 1 1232 . 1 1 100 100 LEU CA C 13 55.40 0.3 . 1 . . . . 100 LEU CA . 15403 1 1233 . 1 1 100 100 LEU CB C 13 42.50 0.3 . 1 . . . . 100 LEU CB . 15403 1 1234 . 1 1 100 100 LEU N N 15 123.61 0.1 . 1 . . . . 100 LEU N . 15403 1 stop_ save_