data_4493 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4493 _Entry.Title ; Solution structure of the designed hydrophobic core mutant of ubiquitin, 1D7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-04-08 _Entry.Accession_date 1999-12-06 _Entry.Last_release_date 2000-06-16 _Entry.Original_release_date 2000-06-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 E. Johnson . C. . 4493 2 G. Lazar . A. . 4493 3 J. Desjarlais . R. . 4493 4 T. Handel . M. . 4493 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4493 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 4493 '15N chemical shifts' 84 4493 '1H chemical shifts' 562 4493 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 1 . . 2000-06-16 1999-04-08 original author . 4493 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UD7 'BMRB Entry Tracking System' 4493 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4493 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99404942 _Citation.DOI . _Citation.PubMed_ID 10467150 _Citation.Full_citation . _Citation.Title ; Solution structure and dynamics of a designed hydrophobic core variant of ubiquitin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue . _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 967 _Citation.Page_last 976 _Citation.Year 1999 _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 E. Johnson . C. . 4493 1 2 G. Lazar . A. . 4493 1 3 J. Desjarlais . R. . 4493 1 4 T. Handel . M. . 4493 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'designed core mutant' 4493 1 ubiquitin 4493 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Ubq_1D7 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Ubq_1D7 _Assembly.Entry_ID 4493 _Assembly.ID 1 _Assembly.Name 'Ubiquitin core mutant 1D7' _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4493 1 stop_ 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 'Ubiquitin core mutant 1D7' 1 $Ubq_1D7 . . . native . . . . . 4493 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Ubiquitin core mutant 1D7' system 4493 1 'Ubq 1D7' abbreviation 4493 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ubq_1D7 _Entity.Sf_category entity _Entity.Sf_framecode Ubq_1D7 _Entity.Entry_ID 4493 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ubiquitin core mutant 1D7' _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 ; MQVFLKTLTGKTVTIEVEPS DTVENFKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTIHLVLRLRGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _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 2015-11-25 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 1UD7 . "Solution Structure Of The Designed Hydrophobic Core Mutant Of Ubiquitin, 1d7" . . . . . 100.00 76 100.00 100.00 2.74e-46 . . . . 4493 1 2 no DBJ BAB79488 . "ribosomal protein S27A [Homo sapiens]" . . . . . 53.95 121 97.56 100.00 1.79e-19 . . . . 4493 1 3 no EMBL CAA25706 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 50.00 191 97.37 100.00 9.15e-16 . . . . 4493 1 4 no EMBL CAD91438 . "ribosomal protein L40 [Crassostrea gigas]" . . . . . 55.26 94 97.62 100.00 1.07e-20 . . . . 4493 1 5 no EMBL CAG28691 . "polyubiquitin [Fusarium fujikuroi]" . . . . . 51.32 116 97.44 100.00 2.13e-17 . . . . 4493 1 6 no EMBL CAK80500 . "unnamed protein product [Paramecium tetraurelia]" . . . . . 64.47 358 97.96 100.00 1.29e-23 . . . . 4493 1 7 no EMBL CDJ67220 . "hypothetical protein ENH_00032480, partial [Eimeria necatrix]" . . . . . 65.79 127 98.00 100.00 1.69e-25 . . . . 4493 1 8 no GB AAA36787 . "ubiquitin precursor, partial [Homo sapiens]" . . . . . 52.63 269 97.50 100.00 1.12e-17 . . . . 4493 1 9 no GB AAM46896 . "polyubiquitin [Tribolium castaneum]" . . . . . 63.16 112 97.92 100.00 2.32e-24 . . . . 4493 1 10 no GB AAO66467 . "polyubiquitin [Camelus dromedarius]" . . . . . 50.00 108 97.37 100.00 1.99e-16 . . . . 4493 1 11 no GB AAV84266 . "ubiquitin [Culicoides sonorensis]" . . . . . 50.00 191 97.37 100.00 1.00e-15 . . . . 4493 1 12 no GB ABC94632 . "ubiquitin C [Ictalurus punctatus]" . . . . . 51.32 192 97.44 100.00 8.75e-17 . . . . 4493 1 13 no PRF 1101405A . "ubiquitin precursor" . . . . . 50.00 191 97.37 100.00 9.44e-16 . . . . 4493 1 14 no REF XP_001447897 . "hypothetical protein [Paramecium tetraurelia strain d4-2]" . . . . . 64.47 358 97.96 100.00 1.29e-23 . . . . 4493 1 15 no REF XP_001621345 . "hypothetical protein NEMVEDRAFT_v1g145228 [Nematostella vectensis]" . . . . . 55.26 64 97.62 100.00 1.42e-20 . . . . 4493 1 16 no REF XP_004595836 . "PREDICTED: ubiquitin-60S ribosomal protein L40 [Ochotona princeps]" . . . . . 53.95 102 97.56 100.00 1.21e-19 . . . . 4493 1 17 no REF XP_005908561 . "PREDICTED: uncharacterized protein LOC102278576 [Bos mutus]" . . . . . 61.84 239 97.87 100.00 3.93e-23 . . . . 4493 1 18 no REF XP_007603155 . "ubiquitin-40S ribosomal protein S27a, partial [Colletotrichum fioriniae PJ7]" . . . . . 56.58 122 97.67 100.00 4.37e-21 . . . . 4493 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID I3V,V5L,I13V,L15I,I23V,V26F,I67L variant 4493 1 'Ubiquitin core mutant 1D7' common 4493 1 Ubq_1D7 abbreviation 4493 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 . 4493 1 2 . GLN . 4493 1 3 . VAL . 4493 1 4 . PHE . 4493 1 5 . LEU . 4493 1 6 . LYS . 4493 1 7 . THR . 4493 1 8 . LEU . 4493 1 9 . THR . 4493 1 10 . GLY . 4493 1 11 . LYS . 4493 1 12 . THR . 4493 1 13 . VAL . 4493 1 14 . THR . 4493 1 15 . ILE . 4493 1 16 . GLU . 4493 1 17 . VAL . 4493 1 18 . GLU . 4493 1 19 . PRO . 4493 1 20 . SER . 4493 1 21 . ASP . 4493 1 22 . THR . 4493 1 23 . VAL . 4493 1 24 . GLU . 4493 1 25 . ASN . 4493 1 26 . PHE . 4493 1 27 . LYS . 4493 1 28 . ALA . 4493 1 29 . LYS . 4493 1 30 . ILE . 4493 1 31 . GLN . 4493 1 32 . ASP . 4493 1 33 . LYS . 4493 1 34 . GLU . 4493 1 35 . GLY . 4493 1 36 . ILE . 4493 1 37 . PRO . 4493 1 38 . PRO . 4493 1 39 . ASP . 4493 1 40 . GLN . 4493 1 41 . GLN . 4493 1 42 . ARG . 4493 1 43 . LEU . 4493 1 44 . ILE . 4493 1 45 . PHE . 4493 1 46 . ALA . 4493 1 47 . GLY . 4493 1 48 . LYS . 4493 1 49 . GLN . 4493 1 50 . LEU . 4493 1 51 . GLU . 4493 1 52 . ASP . 4493 1 53 . GLY . 4493 1 54 . ARG . 4493 1 55 . THR . 4493 1 56 . LEU . 4493 1 57 . SER . 4493 1 58 . ASP . 4493 1 59 . TYR . 4493 1 60 . ASN . 4493 1 61 . ILE . 4493 1 62 . GLN . 4493 1 63 . LYS . 4493 1 64 . GLU . 4493 1 65 . SER . 4493 1 66 . THR . 4493 1 67 . ILE . 4493 1 68 . HIS . 4493 1 69 . LEU . 4493 1 70 . VAL . 4493 1 71 . LEU . 4493 1 72 . ARG . 4493 1 73 . LEU . 4493 1 74 . ARG . 4493 1 75 . GLY . 4493 1 76 . GLY . 4493 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 4493 1 . GLN 2 2 4493 1 . VAL 3 3 4493 1 . PHE 4 4 4493 1 . LEU 5 5 4493 1 . LYS 6 6 4493 1 . THR 7 7 4493 1 . LEU 8 8 4493 1 . THR 9 9 4493 1 . GLY 10 10 4493 1 . LYS 11 11 4493 1 . THR 12 12 4493 1 . VAL 13 13 4493 1 . THR 14 14 4493 1 . ILE 15 15 4493 1 . GLU 16 16 4493 1 . VAL 17 17 4493 1 . GLU 18 18 4493 1 . PRO 19 19 4493 1 . SER 20 20 4493 1 . ASP 21 21 4493 1 . THR 22 22 4493 1 . VAL 23 23 4493 1 . GLU 24 24 4493 1 . ASN 25 25 4493 1 . PHE 26 26 4493 1 . LYS 27 27 4493 1 . ALA 28 28 4493 1 . LYS 29 29 4493 1 . ILE 30 30 4493 1 . GLN 31 31 4493 1 . ASP 32 32 4493 1 . LYS 33 33 4493 1 . GLU 34 34 4493 1 . GLY 35 35 4493 1 . ILE 36 36 4493 1 . PRO 37 37 4493 1 . PRO 38 38 4493 1 . ASP 39 39 4493 1 . GLN 40 40 4493 1 . GLN 41 41 4493 1 . ARG 42 42 4493 1 . LEU 43 43 4493 1 . ILE 44 44 4493 1 . PHE 45 45 4493 1 . ALA 46 46 4493 1 . GLY 47 47 4493 1 . LYS 48 48 4493 1 . GLN 49 49 4493 1 . LEU 50 50 4493 1 . GLU 51 51 4493 1 . ASP 52 52 4493 1 . GLY 53 53 4493 1 . ARG 54 54 4493 1 . THR 55 55 4493 1 . LEU 56 56 4493 1 . SER 57 57 4493 1 . ASP 58 58 4493 1 . TYR 59 59 4493 1 . ASN 60 60 4493 1 . ILE 61 61 4493 1 . GLN 62 62 4493 1 . LYS 63 63 4493 1 . GLU 64 64 4493 1 . SER 65 65 4493 1 . THR 66 66 4493 1 . ILE 67 67 4493 1 . HIS 68 68 4493 1 . LEU 69 69 4493 1 . VAL 70 70 4493 1 . LEU 71 71 4493 1 . ARG 72 72 4493 1 . LEU 73 73 4493 1 . ARG 74 74 4493 1 . GLY 75 75 4493 1 . GLY 76 76 4493 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 4493 _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 $Ubq_1D7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . engineered . . 4493 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 4493 _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 $Ubq_1D7 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 PlysS . . . . . . . . . . . . . . . . . . . . . 4493 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4493 _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 'Ubiquitin core mutant 1D7' '[U-13C; U-15N]' . . 1 $Ubq_1D7 . . 2 . . mM . . . . 4493 1 2 'sodium acetate D3' . . . . . . . 25 . . mM . . . . 4493 1 3 'sodium azide' . . . . . . . 0.02 . . % . . . . 4493 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4493 _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 pH 5.8 . n/a 4493 1 pressure 1 . atm 4493 1 temperature 303 . K 4493 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4493 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4493 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DMX . 600 . . . 4493 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 4493 _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 '15N edited 3D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4493 1 2 '13C edited 3D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4493 1 3 '13C/13C edited 4D noesy' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4493 1 4 '3D 3Jhnha' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4493 1 5 '3D hacahb' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4493 1 6 '2D 3Jncg' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4493 1 7 '2d 3Jcocg' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4493 1 8 'long range 3Jcc' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4493 1 9 '3D 15N ROESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4493 1 10 '3D 15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4493 1 11 '1Dnh residual dipolar couplings' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4493 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4493 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N edited 3D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4493 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '13C edited 3D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4493 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '13C/13C edited 4D noesy' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4493 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 3Jhnha' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4493 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D hacahb' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4493 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2D 3Jncg' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4493 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '2d 3Jcocg' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4493 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 'long range 3Jcc' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4493 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 15N ROESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4493 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4493 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '1Dnh residual dipolar couplings' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_ref _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_ref _Chem_shift_reference.Entry_ID 4493 _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 protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4493 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4493 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4493 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4493 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_ref _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '15N edited 3D NOESY' 1 $sample_1 . 4493 1 2 '13C edited 3D NOESY' 1 $sample_1 . 4493 1 3 '13C/13C edited 4D noesy' 1 $sample_1 . 4493 1 4 '3D 3Jhnha' 1 $sample_1 . 4493 1 5 '3D hacahb' 1 $sample_1 . 4493 1 6 '2D 3Jncg' 1 $sample_1 . 4493 1 7 '2d 3Jcocg' 1 $sample_1 . 4493 1 8 'long range 3Jcc' 1 $sample_1 . 4493 1 9 '3D 15N ROESY' 1 $sample_1 . 4493 1 10 '3D 15N TOCSY' 1 $sample_1 . 4493 1 11 '1Dnh residual dipolar couplings' 1 $sample_1 . 4493 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 1 1 MET CA C 13 54.38 0.08 . 1 . . . . . . . . 4493 1 2 . 1 1 1 1 MET HA H 1 4.179 0.002 . 1 . . . . . . . . 4493 1 3 . 1 1 1 1 MET CB C 13 33.17 0.04 . 1 . . . . . . . . 4493 1 4 . 1 1 1 1 MET HB2 H 1 2.122 0.005 . 1 . . . . . . . . 4493 1 5 . 1 1 1 1 MET HB3 H 1 2.017 0.003 . 1 . . . . . . . . 4493 1 6 . 1 1 1 1 MET CG C 13 30.52 0.05 . 1 . . . . . . . . 4493 1 7 . 1 1 1 1 MET HG2 H 1 2.493 0.003 . 1 . . . . . . . . 4493 1 8 . 1 1 1 1 MET HG3 H 1 2.020 0.003 . 1 . . . . . . . . 4493 1 9 . 1 1 1 1 MET CE C 13 17.55 0.05 . 1 . . . . . . . . 4493 1 10 . 1 1 1 1 MET HE1 H 1 1.520 0.001 . 1 . . . . . . . . 4493 1 11 . 1 1 1 1 MET HE2 H 1 1.520 0.001 . 1 . . . . . . . . 4493 1 12 . 1 1 1 1 MET HE3 H 1 1.520 0.001 . 1 . . . . . . . . 4493 1 13 . 1 1 2 2 GLN N N 15 123.45 0.00 . 1 . . . . . . . . 4493 1 14 . 1 1 2 2 GLN H H 1 8.904 0.001 . 1 . . . . . . . . 4493 1 15 . 1 1 2 2 GLN CA C 13 55.81 0.05 . 1 . . . . . . . . 4493 1 16 . 1 1 2 2 GLN HA H 1 4.777 0.012 . 1 . . . . . . . . 4493 1 17 . 1 1 2 2 GLN CB C 13 30.09 0.03 . 1 . . . . . . . . 4493 1 18 . 1 1 2 2 GLN HB2 H 1 1.885 0.003 . 1 . . . . . . . . 4493 1 19 . 1 1 2 2 GLN HB3 H 1 1.668 0.005 . 1 . . . . . . . . 4493 1 20 . 1 1 2 2 GLN CG C 13 34.37 0.05 . 1 . . . . . . . . 4493 1 21 . 1 1 2 2 GLN HG2 H 1 2.304 0.008 . 1 . . . . . . . . 4493 1 22 . 1 1 2 2 GLN HG3 H 1 1.986 0.001 . 1 . . . . . . . . 4493 1 23 . 1 1 2 2 GLN NE2 N 15 111.88 0.01 . 1 . . . . . . . . 4493 1 24 . 1 1 2 2 GLN HE21 H 1 7.653 0.000 . 1 . . . . . . . . 4493 1 25 . 1 1 2 2 GLN HE22 H 1 6.724 0.000 . 1 . . . . . . . . 4493 1 26 . 1 1 3 3 VAL N N 15 116.34 0.00 . 1 . . . . . . . . 4493 1 27 . 1 1 3 3 VAL H H 1 8.556 0.001 . 1 . . . . . . . . 4493 1 28 . 1 1 3 3 VAL CA C 13 59.21 0.07 . 1 . . . . . . . . 4493 1 29 . 1 1 3 3 VAL HA H 1 4.178 0.004 . 1 . . . . . . . . 4493 1 30 . 1 1 3 3 VAL CB C 13 34.56 0.04 . 1 . . . . . . . . 4493 1 31 . 1 1 3 3 VAL HB H 1 2.050 0.001 . 1 . . . . . . . . 4493 1 32 . 1 1 3 3 VAL CG1 C 13 22.14 0.04 . 1 . . . . . . . . 4493 1 33 . 1 1 3 3 VAL HG11 H 1 0.569 0.004 . 2 . . . . . . . . 4493 1 34 . 1 1 3 3 VAL HG12 H 1 0.569 0.004 . 2 . . . . . . . . 4493 1 35 . 1 1 3 3 VAL HG13 H 1 0.569 0.004 . 2 . . . . . . . . 4493 1 36 . 1 1 3 3 VAL CG2 C 13 19.02 0.03 . 1 . . . . . . . . 4493 1 37 . 1 1 3 3 VAL HG21 H 1 0.580 0.005 . 2 . . . . . . . . 4493 1 38 . 1 1 3 3 VAL HG22 H 1 0.580 0.005 . 2 . . . . . . . . 4493 1 39 . 1 1 3 3 VAL HG23 H 1 0.580 0.005 . 2 . . . . . . . . 4493 1 40 . 1 1 4 4 PHE N N 15 118.57 0.00 . 1 . . . . . . . . 4493 1 41 . 1 1 4 4 PHE H H 1 8.752 0.002 . 1 . . . . . . . . 4493 1 42 . 1 1 4 4 PHE CA C 13 55.39 0.07 . 1 . . . . . . . . 4493 1 43 . 1 1 4 4 PHE HA H 1 5.444 0.005 . 1 . . . . . . . . 4493 1 44 . 1 1 4 4 PHE CB C 13 40.60 0.03 . 1 . . . . . . . . 4493 1 45 . 1 1 4 4 PHE HB2 H 1 2.811 0.004 . 1 . . . . . . . . 4493 1 46 . 1 1 4 4 PHE HB3 H 1 3.117 0.007 . 1 . . . . . . . . 4493 1 47 . 1 1 4 4 PHE CZ C 13 129.38 0.04 . 1 . . . . . . . . 4493 1 48 . 1 1 4 4 PHE HZ H 1 7.244 0.004 . 1 . . . . . . . . 4493 1 49 . 1 1 4 4 PHE CD1 C 13 131.71 0.04 . 1 . . . . . . . . 4493 1 50 . 1 1 4 4 PHE CD2 C 13 131.71 0.04 . 1 . . . . . . . . 4493 1 51 . 1 1 4 4 PHE HD1 H 1 7.046 0.006 . 1 . . . . . . . . 4493 1 52 . 1 1 4 4 PHE HD2 H 1 7.046 0.006 . 1 . . . . . . . . 4493 1 53 . 1 1 4 4 PHE CE1 C 13 130.97 0.08 . 1 . . . . . . . . 4493 1 54 . 1 1 4 4 PHE CE2 C 13 130.97 0.08 . 1 . . . . . . . . 4493 1 55 . 1 1 4 4 PHE HE1 H 1 7.265 0.001 . 1 . . . . . . . . 4493 1 56 . 1 1 4 4 PHE HE2 H 1 7.265 0.001 . 1 . . . . . . . . 4493 1 57 . 1 1 5 5 LEU N N 15 124.42 0.00 . 1 . . . . . . . . 4493 1 58 . 1 1 5 5 LEU H H 1 9.474 0.001 . 1 . . . . . . . . 4493 1 59 . 1 1 5 5 LEU CA C 13 52.21 0.05 . 1 . . . . . . . . 4493 1 60 . 1 1 5 5 LEU HA H 1 5.444 0.002 . 1 . . . . . . . . 4493 1 61 . 1 1 5 5 LEU CB C 13 45.58 0.03 . 1 . . . . . . . . 4493 1 62 . 1 1 5 5 LEU HB2 H 1 1.902 0.006 . 1 . . . . . . . . 4493 1 63 . 1 1 5 5 LEU HB3 H 1 1.124 0.004 . 1 . . . . . . . . 4493 1 64 . 1 1 5 5 LEU CG C 13 27.00 0.03 . 1 . . . . . . . . 4493 1 65 . 1 1 5 5 LEU HG H 1 1.306 0.006 . 1 . . . . . . . . 4493 1 66 . 1 1 5 5 LEU CD1 C 13 24.74 0.06 . 1 . . . . . . . . 4493 1 67 . 1 1 5 5 LEU HD11 H 1 0.754 0.003 . 2 . . . . . . . . 4493 1 68 . 1 1 5 5 LEU HD12 H 1 0.754 0.003 . 2 . . . . . . . . 4493 1 69 . 1 1 5 5 LEU HD13 H 1 0.754 0.003 . 2 . . . . . . . . 4493 1 70 . 1 1 5 5 LEU CD2 C 13 26.43 0.05 . 1 . . . . . . . . 4493 1 71 . 1 1 5 5 LEU HD21 H 1 0.685 0.005 . 2 . . . . . . . . 4493 1 72 . 1 1 5 5 LEU HD22 H 1 0.685 0.005 . 2 . . . . . . . . 4493 1 73 . 1 1 5 5 LEU HD23 H 1 0.685 0.005 . 2 . . . . . . . . 4493 1 74 . 1 1 6 6 LYS N N 15 127.14 0.00 . 1 . . . . . . . . 4493 1 75 . 1 1 6 6 LYS H H 1 8.869 0.000 . 1 . . . . . . . . 4493 1 76 . 1 1 6 6 LYS CA C 13 54.44 0.08 . 1 . . . . . . . . 4493 1 77 . 1 1 6 6 LYS HA H 1 5.200 0.006 . 1 . . . . . . . . 4493 1 78 . 1 1 6 6 LYS CB C 13 33.68 0.05 . 1 . . . . . . . . 4493 1 79 . 1 1 6 6 LYS HB2 H 1 1.652 0.006 . 1 . . . . . . . . 4493 1 80 . 1 1 6 6 LYS HB3 H 1 1.331 0.008 . 1 . . . . . . . . 4493 1 81 . 1 1 6 6 LYS CG C 13 24.84 0.04 . 1 . . . . . . . . 4493 1 82 . 1 1 6 6 LYS HG2 H 1 1.384 0.009 . 1 . . . . . . . . 4493 1 83 . 1 1 6 6 LYS HG3 H 1 1.211 0.009 . 1 . . . . . . . . 4493 1 84 . 1 1 6 6 LYS CD C 13 28.90 0.05 . 1 . . . . . . . . 4493 1 85 . 1 1 6 6 LYS CE C 13 41.99 0.00 . 1 . . . . . . . . 4493 1 86 . 1 1 6 6 LYS HD2 H 1 1.537 0.008 . 1 . . . . . . . . 4493 1 87 . 1 1 6 6 LYS HD3 H 1 1.537 0.008 . 1 . . . . . . . . 4493 1 88 . 1 1 6 6 LYS HE2 H 1 2.901 0.002 . 1 . . . . . . . . 4493 1 89 . 1 1 6 6 LYS HE3 H 1 2.901 0.002 . 1 . . . . . . . . 4493 1 90 . 1 1 7 7 THR N N 15 116.27 0.00 . 1 . . . . . . . . 4493 1 91 . 1 1 7 7 THR H H 1 8.658 0.001 . 1 . . . . . . . . 4493 1 92 . 1 1 7 7 THR CA C 13 61.05 0.06 . 1 . . . . . . . . 4493 1 93 . 1 1 7 7 THR HA H 1 4.700 0.000 . 1 . . . . . . . . 4493 1 94 . 1 1 7 7 THR CB C 13 70.18 0.08 . 1 . . . . . . . . 4493 1 95 . 1 1 7 7 THR HB H 1 4.769 0.011 . 1 . . . . . . . . 4493 1 96 . 1 1 7 7 THR CG2 C 13 21.65 0.04 . 1 . . . . . . . . 4493 1 97 . 1 1 7 7 THR HG21 H 1 1.164 0.007 . 1 . . . . . . . . 4493 1 98 . 1 1 7 7 THR HG22 H 1 1.164 0.007 . 1 . . . . . . . . 4493 1 99 . 1 1 7 7 THR HG23 H 1 1.164 0.007 . 1 . . . . . . . . 4493 1 100 . 1 1 8 8 LEU N N 15 120.22 0.00 . 1 . . . . . . . . 4493 1 101 . 1 1 8 8 LEU H H 1 8.891 0.001 . 1 . . . . . . . . 4493 1 102 . 1 1 8 8 LEU CA C 13 57.66 0.08 . 1 . . . . . . . . 4493 1 103 . 1 1 8 8 LEU HA H 1 4.291 0.005 . 1 . . . . . . . . 4493 1 104 . 1 1 8 8 LEU CB C 13 41.82 0.04 . 1 . . . . . . . . 4493 1 105 . 1 1 8 8 LEU HB2 H 1 1.710 0.005 . 1 . . . . . . . . 4493 1 106 . 1 1 8 8 LEU HB3 H 1 1.930 0.007 . 1 . . . . . . . . 4493 1 107 . 1 1 8 8 LEU CG C 13 27.29 0.05 . 1 . . . . . . . . 4493 1 108 . 1 1 8 8 LEU HG H 1 1.833 0.005 . 1 . . . . . . . . 4493 1 109 . 1 1 8 8 LEU CD1 C 13 25.62 0.04 . 1 . . . . . . . . 4493 1 110 . 1 1 8 8 LEU HD11 H 1 1.020 0.001 . 2 . . . . . . . . 4493 1 111 . 1 1 8 8 LEU HD12 H 1 1.020 0.001 . 2 . . . . . . . . 4493 1 112 . 1 1 8 8 LEU HD13 H 1 1.020 0.001 . 2 . . . . . . . . 4493 1 113 . 1 1 8 8 LEU CD2 C 13 23.72 0.04 . 1 . . . . . . . . 4493 1 114 . 1 1 8 8 LEU HD21 H 1 0.964 0.003 . 2 . . . . . . . . 4493 1 115 . 1 1 8 8 LEU HD22 H 1 0.964 0.003 . 2 . . . . . . . . 4493 1 116 . 1 1 8 8 LEU HD23 H 1 0.964 0.003 . 2 . . . . . . . . 4493 1 117 . 1 1 9 9 THR N N 15 105.93 0.01 . 1 . . . . . . . . 4493 1 118 . 1 1 9 9 THR H H 1 7.648 0.001 . 1 . . . . . . . . 4493 1 119 . 1 1 9 9 THR CA C 13 61.35 0.05 . 1 . . . . . . . . 4493 1 120 . 1 1 9 9 THR HA H 1 4.423 0.004 . 1 . . . . . . . . 4493 1 121 . 1 1 9 9 THR CB C 13 69.17 0.06 . 1 . . . . . . . . 4493 1 122 . 1 1 9 9 THR HB H 1 4.572 0.005 . 1 . . . . . . . . 4493 1 123 . 1 1 9 9 THR CG2 C 13 21.76 0.05 . 1 . . . . . . . . 4493 1 124 . 1 1 9 9 THR HG21 H 1 1.263 0.005 . 1 . . . . . . . . 4493 1 125 . 1 1 9 9 THR HG22 H 1 1.263 0.005 . 1 . . . . . . . . 4493 1 126 . 1 1 9 9 THR HG23 H 1 1.263 0.005 . 1 . . . . . . . . 4493 1 127 . 1 1 10 10 GLY N N 15 109.47 0.01 . 1 . . . . . . . . 4493 1 128 . 1 1 10 10 GLY H H 1 7.861 0.001 . 1 . . . . . . . . 4493 1 129 . 1 1 10 10 GLY CA C 13 45.31 0.08 . 1 . . . . . . . . 4493 1 130 . 1 1 10 10 GLY HA2 H 1 4.337 0.003 . 1 . . . . . . . . 4493 1 131 . 1 1 10 10 GLY HA3 H 1 3.593 0.012 . 1 . . . . . . . . 4493 1 132 . 1 1 11 11 LYS N N 15 121.34 0.00 . 1 . . . . . . . . 4493 1 133 . 1 1 11 11 LYS H H 1 7.204 0.001 . 1 . . . . . . . . 4493 1 134 . 1 1 11 11 LYS CA C 13 56.12 0.05 . 1 . . . . . . . . 4493 1 135 . 1 1 11 11 LYS HA H 1 4.362 0.002 . 1 . . . . . . . . 4493 1 136 . 1 1 11 11 LYS CB C 13 33.35 0.03 . 1 . . . . . . . . 4493 1 137 . 1 1 11 11 LYS HB2 H 1 1.790 0.009 . 1 . . . . . . . . 4493 1 138 . 1 1 11 11 LYS HB3 H 1 1.680 0.003 . 1 . . . . . . . . 4493 1 139 . 1 1 11 11 LYS CG C 13 24.96 0.06 . 1 . . . . . . . . 4493 1 140 . 1 1 11 11 LYS HG2 H 1 1.426 0.010 . 1 . . . . . . . . 4493 1 141 . 1 1 11 11 LYS HG3 H 1 1.269 0.010 . 1 . . . . . . . . 4493 1 142 . 1 1 11 11 LYS CD C 13 29.17 0.09 . 1 . . . . . . . . 4493 1 143 . 1 1 11 11 LYS CE C 13 42.03 0.00 . 1 . . . . . . . . 4493 1 144 . 1 1 11 11 LYS HD2 H 1 1.639 0.008 . 1 . . . . . . . . 4493 1 145 . 1 1 11 11 LYS HD3 H 1 1.639 0.008 . 1 . . . . . . . . 4493 1 146 . 1 1 11 11 LYS HE2 H 1 2.921 0.001 . 1 . . . . . . . . 4493 1 147 . 1 1 11 11 LYS HE3 H 1 2.921 0.001 . 1 . . . . . . . . 4493 1 148 . 1 1 12 12 THR N N 15 119.75 0.00 . 1 . . . . . . . . 4493 1 149 . 1 1 12 12 THR H H 1 8.556 0.001 . 1 . . . . . . . . 4493 1 150 . 1 1 12 12 THR CA C 13 61.98 0.05 . 1 . . . . . . . . 4493 1 151 . 1 1 12 12 THR HA H 1 5.305 0.006 . 1 . . . . . . . . 4493 1 152 . 1 1 12 12 THR CB C 13 69.81 0.05 . 1 . . . . . . . . 4493 1 153 . 1 1 12 12 THR HB H 1 3.921 0.003 . 1 . . . . . . . . 4493 1 154 . 1 1 12 12 THR CG2 C 13 21.92 0.04 . 1 . . . . . . . . 4493 1 155 . 1 1 12 12 THR HG21 H 1 1.048 0.004 . 1 . . . . . . . . 4493 1 156 . 1 1 12 12 THR HG22 H 1 1.048 0.004 . 1 . . . . . . . . 4493 1 157 . 1 1 12 12 THR HG23 H 1 1.048 0.004 . 1 . . . . . . . . 4493 1 158 . 1 1 13 13 VAL N N 15 125.36 0.00 . 1 . . . . . . . . 4493 1 159 . 1 1 13 13 VAL H H 1 9.276 0.001 . 1 . . . . . . . . 4493 1 160 . 1 1 13 13 VAL CA C 13 59.95 0.05 . 1 . . . . . . . . 4493 1 161 . 1 1 13 13 VAL HA H 1 4.657 0.003 . 1 . . . . . . . . 4493 1 162 . 1 1 13 13 VAL CB C 13 35.14 0.06 . 1 . . . . . . . . 4493 1 163 . 1 1 13 13 VAL HB H 1 2.149 0.004 . 1 . . . . . . . . 4493 1 164 . 1 1 13 13 VAL CG1 C 13 21.24 0.01 . 1 . . . . . . . . 4493 1 165 . 1 1 13 13 VAL HG11 H 1 0.956 0.000 . 2 . . . . . . . . 4493 1 166 . 1 1 13 13 VAL HG12 H 1 0.956 0.000 . 2 . . . . . . . . 4493 1 167 . 1 1 13 13 VAL HG13 H 1 0.956 0.000 . 2 . . . . . . . . 4493 1 168 . 1 1 13 13 VAL CG2 C 13 20.19 0.04 . 1 . . . . . . . . 4493 1 169 . 1 1 13 13 VAL HG21 H 1 0.886 0.003 . 2 . . . . . . . . 4493 1 170 . 1 1 13 13 VAL HG22 H 1 0.886 0.003 . 2 . . . . . . . . 4493 1 171 . 1 1 13 13 VAL HG23 H 1 0.886 0.003 . 2 . . . . . . . . 4493 1 172 . 1 1 14 14 THR N N 15 119.22 0.00 . 1 . . . . . . . . 4493 1 173 . 1 1 14 14 THR H H 1 8.585 0.001 . 1 . . . . . . . . 4493 1 174 . 1 1 14 14 THR CA C 13 61.64 0.08 . 1 . . . . . . . . 4493 1 175 . 1 1 14 14 THR HA H 1 5.109 0.005 . 1 . . . . . . . . 4493 1 176 . 1 1 14 14 THR CB C 13 69.80 0.07 . 1 . . . . . . . . 4493 1 177 . 1 1 14 14 THR HB H 1 4.026 0.004 . 1 . . . . . . . . 4493 1 178 . 1 1 14 14 THR CG2 C 13 22.14 0.04 . 1 . . . . . . . . 4493 1 179 . 1 1 14 14 THR HG21 H 1 1.106 0.005 . 1 . . . . . . . . 4493 1 180 . 1 1 14 14 THR HG22 H 1 1.106 0.005 . 1 . . . . . . . . 4493 1 181 . 1 1 14 14 THR HG23 H 1 1.106 0.005 . 1 . . . . . . . . 4493 1 182 . 1 1 15 15 ILE N N 15 125.63 0.00 . 1 . . . . . . . . 4493 1 183 . 1 1 15 15 ILE H H 1 8.846 0.000 . 1 . . . . . . . . 4493 1 184 . 1 1 15 15 ILE CA C 13 59.11 0.06 . 1 . . . . . . . . 4493 1 185 . 1 1 15 15 ILE HA H 1 4.416 0.004 . 1 . . . . . . . . 4493 1 186 . 1 1 15 15 ILE CB C 13 40.75 0.04 . 1 . . . . . . . . 4493 1 187 . 1 1 15 15 ILE HB H 1 1.699 0.007 . 1 . . . . . . . . 4493 1 188 . 1 1 15 15 ILE CG1 C 13 27.39 0.01 . 1 . . . . . . . . 4493 1 189 . 1 1 15 15 ILE HG12 H 1 1.371 0.002 . 1 . . . . . . . . 4493 1 190 . 1 1 15 15 ILE HG13 H 1 1.239 0.002 . 1 . . . . . . . . 4493 1 191 . 1 1 15 15 ILE CG2 C 13 18.01 0.06 . 1 . . . . . . . . 4493 1 192 . 1 1 15 15 ILE HG21 H 1 0.938 0.003 . 1 . . . . . . . . 4493 1 193 . 1 1 15 15 ILE HG22 H 1 0.938 0.003 . 1 . . . . . . . . 4493 1 194 . 1 1 15 15 ILE HG23 H 1 0.938 0.003 . 1 . . . . . . . . 4493 1 195 . 1 1 15 15 ILE CD1 C 13 12.47 0.04 . 1 . . . . . . . . 4493 1 196 . 1 1 15 15 ILE HD11 H 1 0.657 0.005 . 1 . . . . . . . . 4493 1 197 . 1 1 15 15 ILE HD12 H 1 0.657 0.005 . 1 . . . . . . . . 4493 1 198 . 1 1 15 15 ILE HD13 H 1 0.657 0.005 . 1 . . . . . . . . 4493 1 199 . 1 1 16 16 GLU N N 15 127.35 0.00 . 1 . . . . . . . . 4493 1 200 . 1 1 16 16 GLU H H 1 8.261 0.001 . 1 . . . . . . . . 4493 1 201 . 1 1 16 16 GLU CA C 13 55.29 0.06 . 1 . . . . . . . . 4493 1 202 . 1 1 16 16 GLU HA H 1 4.911 0.006 . 1 . . . . . . . . 4493 1 203 . 1 1 16 16 GLU CB C 13 29.93 0.06 . 1 . . . . . . . . 4493 1 204 . 1 1 16 16 GLU HB2 H 1 1.954 0.002 . 1 . . . . . . . . 4493 1 205 . 1 1 16 16 GLU HB3 H 1 1.886 0.000 . 1 . . . . . . . . 4493 1 206 . 1 1 16 16 GLU CG C 13 35.70 0.04 . 1 . . . . . . . . 4493 1 207 . 1 1 16 16 GLU HG2 H 1 2.216 0.009 . 1 . . . . . . . . 4493 1 208 . 1 1 16 16 GLU HG3 H 1 2.114 0.008 . 1 . . . . . . . . 4493 1 209 . 1 1 17 17 VAL N N 15 119.16 0.00 . 1 . . . . . . . . 4493 1 210 . 1 1 17 17 VAL H H 1 8.940 0.002 . 1 . . . . . . . . 4493 1 211 . 1 1 17 17 VAL CA C 13 59.01 0.06 . 1 . . . . . . . . 4493 1 212 . 1 1 17 17 VAL HA H 1 4.604 0.001 . 1 . . . . . . . . 4493 1 213 . 1 1 17 17 VAL CB C 13 36.04 0.03 . 1 . . . . . . . . 4493 1 214 . 1 1 17 17 VAL HB H 1 2.104 0.006 . 1 . . . . . . . . 4493 1 215 . 1 1 17 17 VAL CG1 C 13 22.63 0.03 . 1 . . . . . . . . 4493 1 216 . 1 1 17 17 VAL HG11 H 1 0.645 0.006 . 2 . . . . . . . . 4493 1 217 . 1 1 17 17 VAL HG12 H 1 0.645 0.006 . 2 . . . . . . . . 4493 1 218 . 1 1 17 17 VAL HG13 H 1 0.645 0.006 . 2 . . . . . . . . 4493 1 219 . 1 1 17 17 VAL CG2 C 13 19.76 0.04 . 1 . . . . . . . . 4493 1 220 . 1 1 17 17 VAL HG21 H 1 0.383 0.005 . 2 . . . . . . . . 4493 1 221 . 1 1 17 17 VAL HG22 H 1 0.383 0.005 . 2 . . . . . . . . 4493 1 222 . 1 1 17 17 VAL HG23 H 1 0.383 0.005 . 2 . . . . . . . . 4493 1 223 . 1 1 18 18 GLU N N 15 119.96 0.00 . 1 . . . . . . . . 4493 1 224 . 1 1 18 18 GLU H H 1 8.500 0.001 . 1 . . . . . . . . 4493 1 225 . 1 1 18 18 GLU CA C 13 52.82 0.04 . 1 . . . . . . . . 4493 1 226 . 1 1 18 18 GLU HA H 1 5.016 0.006 . 1 . . . . . . . . 4493 1 227 . 1 1 18 18 GLU CB C 13 30.49 0.04 . 1 . . . . . . . . 4493 1 228 . 1 1 18 18 GLU HB2 H 1 2.099 0.003 . 1 . . . . . . . . 4493 1 229 . 1 1 18 18 GLU HB3 H 1 1.657 0.004 . 1 . . . . . . . . 4493 1 230 . 1 1 18 18 GLU CG C 13 35.13 0.04 . 1 . . . . . . . . 4493 1 231 . 1 1 18 18 GLU HG2 H 1 2.347 0.006 . 1 . . . . . . . . 4493 1 232 . 1 1 18 18 GLU HG3 H 1 2.217 0.007 . 1 . . . . . . . . 4493 1 233 . 1 1 19 19 PRO CA C 13 65.14 0.04 . 1 . . . . . . . . 4493 1 234 . 1 1 19 19 PRO HA H 1 3.994 0.004 . 1 . . . . . . . . 4493 1 235 . 1 1 19 19 PRO CB C 13 31.69 0.04 . 1 . . . . . . . . 4493 1 236 . 1 1 19 19 PRO HB2 H 1 2.336 0.002 . 1 . . . . . . . . 4493 1 237 . 1 1 19 19 PRO HB3 H 1 2.019 0.003 . 1 . . . . . . . . 4493 1 238 . 1 1 19 19 PRO CG C 13 27.83 0.03 . 1 . . . . . . . . 4493 1 239 . 1 1 19 19 PRO HG2 H 1 2.195 0.004 . 1 . . . . . . . . 4493 1 240 . 1 1 19 19 PRO HG3 H 1 2.016 0.004 . 1 . . . . . . . . 4493 1 241 . 1 1 19 19 PRO CD C 13 50.37 0.05 . 1 . . . . . . . . 4493 1 242 . 1 1 19 19 PRO HD3 H 1 4.019 0.004 . 1 . . . . . . . . 4493 1 243 . 1 1 19 19 PRO HD2 H 1 3.734 0.001 . 1 . . . . . . . . 4493 1 244 . 1 1 20 20 SER N N 15 104.01 0.00 . 1 . . . . . . . . 4493 1 245 . 1 1 20 20 SER H H 1 7.063 0.002 . 1 . . . . . . . . 4493 1 246 . 1 1 20 20 SER CA C 13 57.37 0.07 . 1 . . . . . . . . 4493 1 247 . 1 1 20 20 SER HA H 1 4.363 0.003 . 1 . . . . . . . . 4493 1 248 . 1 1 20 20 SER CB C 13 63.37 0.05 . 1 . . . . . . . . 4493 1 249 . 1 1 20 20 SER HB2 H 1 3.784 0.004 . 1 . . . . . . . . 4493 1 250 . 1 1 20 20 SER HB3 H 1 4.147 0.006 . 1 . . . . . . . . 4493 1 251 . 1 1 21 21 ASP N N 15 123.65 0.00 . 1 . . . . . . . . 4493 1 252 . 1 1 21 21 ASP H H 1 7.884 0.001 . 1 . . . . . . . . 4493 1 253 . 1 1 21 21 ASP CA C 13 55.33 0.06 . 1 . . . . . . . . 4493 1 254 . 1 1 21 21 ASP HA H 1 4.683 0.007 . 1 . . . . . . . . 4493 1 255 . 1 1 21 21 ASP CB C 13 40.79 0.05 . 1 . . . . . . . . 4493 1 256 . 1 1 21 21 ASP HB2 H 1 2.586 0.011 . 1 . . . . . . . . 4493 1 257 . 1 1 21 21 ASP HB3 H 1 2.914 0.005 . 1 . . . . . . . . 4493 1 258 . 1 1 22 22 THR N N 15 109.39 0.01 . 1 . . . . . . . . 4493 1 259 . 1 1 22 22 THR H H 1 8.152 0.001 . 1 . . . . . . . . 4493 1 260 . 1 1 22 22 THR CA C 13 60.42 0.03 . 1 . . . . . . . . 4493 1 261 . 1 1 22 22 THR HA H 1 4.754 0.000 . 1 . . . . . . . . 4493 1 262 . 1 1 22 22 THR CB C 13 71.27 0.06 . 1 . . . . . . . . 4493 1 263 . 1 1 22 22 THR HB H 1 4.821 0.007 . 1 . . . . . . . . 4493 1 264 . 1 1 22 22 THR CG2 C 13 22.43 0.05 . 1 . . . . . . . . 4493 1 265 . 1 1 22 22 THR HG21 H 1 1.333 0.006 . 1 . . . . . . . . 4493 1 266 . 1 1 22 22 THR HG22 H 1 1.333 0.006 . 1 . . . . . . . . 4493 1 267 . 1 1 22 22 THR HG23 H 1 1.333 0.006 . 1 . . . . . . . . 4493 1 268 . 1 1 23 23 VAL N N 15 122.65 0.00 . 1 . . . . . . . . 4493 1 269 . 1 1 23 23 VAL H H 1 8.792 0.001 . 1 . . . . . . . . 4493 1 270 . 1 1 23 23 VAL CA C 13 67.53 0.04 . 1 . . . . . . . . 4493 1 271 . 1 1 23 23 VAL HA H 1 3.575 0.003 . 1 . . . . . . . . 4493 1 272 . 1 1 23 23 VAL CB C 13 32.72 0.01 . 1 . . . . . . . . 4493 1 273 . 1 1 23 23 VAL HB H 1 2.269 0.000 . 1 . . . . . . . . 4493 1 274 . 1 1 23 23 VAL CG1 C 13 21.37 0.06 . 1 . . . . . . . . 4493 1 275 . 1 1 23 23 VAL HG11 H 1 0.837 0.008 . 2 . . . . . . . . 4493 1 276 . 1 1 23 23 VAL HG12 H 1 0.837 0.008 . 2 . . . . . . . . 4493 1 277 . 1 1 23 23 VAL HG13 H 1 0.837 0.008 . 2 . . . . . . . . 4493 1 278 . 1 1 23 23 VAL CG2 C 13 24.58 0.04 . 1 . . . . . . . . 4493 1 279 . 1 1 23 23 VAL HG21 H 1 1.055 0.006 . 2 . . . . . . . . 4493 1 280 . 1 1 23 23 VAL HG22 H 1 1.055 0.006 . 2 . . . . . . . . 4493 1 281 . 1 1 23 23 VAL HG23 H 1 1.055 0.006 . 2 . . . . . . . . 4493 1 282 . 1 1 24 24 GLU N N 15 120.39 0.00 . 1 . . . . . . . . 4493 1 283 . 1 1 24 24 GLU H H 1 10.597 0.001 . 1 . . . . . . . . 4493 1 284 . 1 1 24 24 GLU CA C 13 61.22 0.07 . 1 . . . . . . . . 4493 1 285 . 1 1 24 24 GLU HA H 1 3.946 0.003 . 1 . . . . . . . . 4493 1 286 . 1 1 24 24 GLU CB C 13 28.45 0.03 . 1 . . . . . . . . 4493 1 287 . 1 1 24 24 GLU HB2 H 1 2.081 0.004 . 1 . . . . . . . . 4493 1 288 . 1 1 24 24 GLU HB3 H 1 2.024 0.004 . 1 . . . . . . . . 4493 1 289 . 1 1 24 24 GLU CG C 13 36.76 0.02 . 1 . . . . . . . . 4493 1 290 . 1 1 24 24 GLU HG2 H 1 2.518 0.007 . 1 . . . . . . . . 4493 1 291 . 1 1 24 24 GLU HG3 H 1 2.360 0.007 . 1 . . . . . . . . 4493 1 292 . 1 1 25 25 ASN N N 15 122.30 0.00 . 1 . . . . . . . . 4493 1 293 . 1 1 25 25 ASN H H 1 8.137 0.001 . 1 . . . . . . . . 4493 1 294 . 1 1 25 25 ASN CA C 13 56.15 0.05 . 1 . . . . . . . . 4493 1 295 . 1 1 25 25 ASN HA H 1 4.550 0.002 . 1 . . . . . . . . 4493 1 296 . 1 1 25 25 ASN CB C 13 38.81 0.07 . 1 . . . . . . . . 4493 1 297 . 1 1 25 25 ASN HB2 H 1 3.081 0.009 . 1 . . . . . . . . 4493 1 298 . 1 1 25 25 ASN HB3 H 1 2.938 0.005 . 1 . . . . . . . . 4493 1 299 . 1 1 25 25 ASN ND2 N 15 110.97 0.01 . 1 . . . . . . . . 4493 1 300 . 1 1 25 25 ASN HD21 H 1 7.837 0.000 . 1 . . . . . . . . 4493 1 301 . 1 1 25 25 ASN HD22 H 1 6.882 0.000 . 1 . . . . . . . . 4493 1 302 . 1 1 26 26 PHE N N 15 123.06 0.00 . 1 . . . . . . . . 4493 1 303 . 1 1 26 26 PHE H H 1 8.532 0.001 . 1 . . . . . . . . 4493 1 304 . 1 1 26 26 PHE CA C 13 59.07 0.06 . 1 . . . . . . . . 4493 1 305 . 1 1 26 26 PHE HA H 1 4.553 0.002 . 1 . . . . . . . . 4493 1 306 . 1 1 26 26 PHE CB C 13 39.19 0.06 . 1 . . . . . . . . 4493 1 307 . 1 1 26 26 PHE HB2 H 1 3.566 0.006 . 1 . . . . . . . . 4493 1 308 . 1 1 26 26 PHE HB3 H 1 3.189 0.007 . 1 . . . . . . . . 4493 1 309 . 1 1 26 26 PHE CZ C 13 128.33 0.09 . 1 . . . . . . . . 4493 1 310 . 1 1 26 26 PHE HZ H 1 6.814 0.003 . 1 . . . . . . . . 4493 1 311 . 1 1 26 26 PHE CD1 C 13 131.36 0.06 . 1 . . . . . . . . 4493 1 312 . 1 1 26 26 PHE HD1 H 1 7.076 0.005 . 1 . . . . . . . . 4493 1 313 . 1 1 26 26 PHE CE1 C 13 130.22 0.10 . 1 . . . . . . . . 4493 1 314 . 1 1 26 26 PHE HE1 H 1 6.889 0.005 . 1 . . . . . . . . 4493 1 315 . 1 1 26 26 PHE CD2 C 13 131.36 0.06 . 1 . . . . . . . . 4493 1 316 . 1 1 26 26 PHE HD2 H 1 7.076 0.005 . 1 . . . . . . . . 4493 1 317 . 1 1 26 26 PHE CE2 C 13 130.22 0.10 . 1 . . . . . . . . 4493 1 318 . 1 1 26 26 PHE HE2 H 1 6.889 0.005 . 1 . . . . . . . . 4493 1 319 . 1 1 27 27 LYS N N 15 117.86 0.00 . 1 . . . . . . . . 4493 1 320 . 1 1 27 27 LYS H H 1 8.933 0.003 . 1 . . . . . . . . 4493 1 321 . 1 1 27 27 LYS CA C 13 59.24 0.03 . 1 . . . . . . . . 4493 1 322 . 1 1 27 27 LYS HA H 1 4.373 0.005 . 1 . . . . . . . . 4493 1 323 . 1 1 27 27 LYS CB C 13 34.07 0.04 . 1 . . . . . . . . 4493 1 324 . 1 1 27 27 LYS HB2 H 1 1.422 0.007 . 1 . . . . . . . . 4493 1 325 . 1 1 27 27 LYS HB3 H 1 2.006 0.007 . 1 . . . . . . . . 4493 1 326 . 1 1 27 27 LYS CG C 13 26.19 0.06 . 1 . . . . . . . . 4493 1 327 . 1 1 27 27 LYS HG2 H 1 1.617 0.005 . 1 . . . . . . . . 4493 1 328 . 1 1 27 27 LYS HG3 H 1 1.539 0.001 . 1 . . . . . . . . 4493 1 329 . 1 1 27 27 LYS CD C 13 30.75 0.05 . 1 . . . . . . . . 4493 1 330 . 1 1 27 27 LYS CE C 13 42.20 0.06 . 1 . . . . . . . . 4493 1 331 . 1 1 27 27 LYS HE2 H 1 2.754 0.005 . 1 . . . . . . . . 4493 1 332 . 1 1 27 27 LYS HE3 H 1 2.610 0.005 . 1 . . . . . . . . 4493 1 333 . 1 1 27 27 LYS HD2 H 1 1.634 0.009 . 1 . . . . . . . . 4493 1 334 . 1 1 28 28 ALA N N 15 123.42 0.00 . 1 . . . . . . . . 4493 1 335 . 1 1 28 28 ALA H H 1 7.879 0.001 . 1 . . . . . . . . 4493 1 336 . 1 1 28 28 ALA CA C 13 55.36 0.04 . 1 . . . . . . . . 4493 1 337 . 1 1 28 28 ALA HA H 1 4.161 0.005 . 1 . . . . . . . . 4493 1 338 . 1 1 28 28 ALA CB C 13 17.59 0.07 . 1 . . . . . . . . 4493 1 339 . 1 1 28 28 ALA HB1 H 1 1.632 0.005 . 1 . . . . . . . . 4493 1 340 . 1 1 28 28 ALA HB2 H 1 1.632 0.005 . 1 . . . . . . . . 4493 1 341 . 1 1 28 28 ALA HB3 H 1 1.632 0.005 . 1 . . . . . . . . 4493 1 342 . 1 1 29 29 LYS N N 15 120.58 0.00 . 1 . . . . . . . . 4493 1 343 . 1 1 29 29 LYS H H 1 7.918 0.001 . 1 . . . . . . . . 4493 1 344 . 1 1 29 29 LYS CA C 13 59.83 0.06 . 1 . . . . . . . . 4493 1 345 . 1 1 29 29 LYS HA H 1 4.179 0.003 . 1 . . . . . . . . 4493 1 346 . 1 1 29 29 LYS CB C 13 32.78 0.05 . 1 . . . . . . . . 4493 1 347 . 1 1 29 29 LYS HB2 H 1 1.878 0.009 . 1 . . . . . . . . 4493 1 348 . 1 1 29 29 LYS HB3 H 1 2.207 0.006 . 1 . . . . . . . . 4493 1 349 . 1 1 29 29 LYS CG C 13 26.26 0.03 . 1 . . . . . . . . 4493 1 350 . 1 1 29 29 LYS HG2 H 1 1.832 0.012 . 1 . . . . . . . . 4493 1 351 . 1 1 29 29 LYS HG3 H 1 1.570 0.003 . 1 . . . . . . . . 4493 1 352 . 1 1 29 29 LYS CD C 13 30.08 0.00 . 1 . . . . . . . . 4493 1 353 . 1 1 29 29 LYS HD2 H 1 1.873 0.001 . 1 . . . . . . . . 4493 1 354 . 1 1 29 29 LYS HD3 H 1 1.689 0.001 . 1 . . . . . . . . 4493 1 355 . 1 1 29 29 LYS CE C 13 42.56 0.02 . 1 . . . . . . . . 4493 1 356 . 1 1 29 29 LYS HE2 H 1 3.173 0.013 . 1 . . . . . . . . 4493 1 357 . 1 1 29 29 LYS HE3 H 1 3.089 0.002 . 1 . . . . . . . . 4493 1 358 . 1 1 30 30 ILE N N 15 121.82 0.00 . 1 . . . . . . . . 4493 1 359 . 1 1 30 30 ILE H H 1 8.160 0.002 . 1 . . . . . . . . 4493 1 360 . 1 1 30 30 ILE CA C 13 65.88 0.05 . 1 . . . . . . . . 4493 1 361 . 1 1 30 30 ILE HA H 1 3.323 0.007 . 1 . . . . . . . . 4493 1 362 . 1 1 30 30 ILE CB C 13 36.77 0.06 . 1 . . . . . . . . 4493 1 363 . 1 1 30 30 ILE HB H 1 1.997 0.005 . 1 . . . . . . . . 4493 1 364 . 1 1 30 30 ILE CG1 C 13 29.72 0.04 . 1 . . . . . . . . 4493 1 365 . 1 1 30 30 ILE HG12 H 1 1.310 0.006 . 1 . . . . . . . . 4493 1 366 . 1 1 30 30 ILE HG13 H 1 0.331 0.005 . 1 . . . . . . . . 4493 1 367 . 1 1 30 30 ILE CG2 C 13 16.83 0.03 . 1 . . . . . . . . 4493 1 368 . 1 1 30 30 ILE HG21 H 1 0.523 0.007 . 1 . . . . . . . . 4493 1 369 . 1 1 30 30 ILE HG22 H 1 0.523 0.007 . 1 . . . . . . . . 4493 1 370 . 1 1 30 30 ILE HG23 H 1 0.523 0.007 . 1 . . . . . . . . 4493 1 371 . 1 1 30 30 ILE CD1 C 13 14.54 0.03 . 1 . . . . . . . . 4493 1 372 . 1 1 30 30 ILE HD11 H 1 0.045 0.003 . 1 . . . . . . . . 4493 1 373 . 1 1 30 30 ILE HD12 H 1 0.045 0.003 . 1 . . . . . . . . 4493 1 374 . 1 1 30 30 ILE HD13 H 1 0.045 0.003 . 1 . . . . . . . . 4493 1 375 . 1 1 31 31 GLN N N 15 123.41 0.00 . 1 . . . . . . . . 4493 1 376 . 1 1 31 31 GLN H H 1 8.453 0.001 . 1 . . . . . . . . 4493 1 377 . 1 1 31 31 GLN CA C 13 59.88 0.09 . 1 . . . . . . . . 4493 1 378 . 1 1 31 31 GLN HA H 1 3.782 0.004 . 1 . . . . . . . . 4493 1 379 . 1 1 31 31 GLN CB C 13 27.74 0.05 . 1 . . . . . . . . 4493 1 380 . 1 1 31 31 GLN HB2 H 1 2.412 0.005 . 1 . . . . . . . . 4493 1 381 . 1 1 31 31 GLN HB3 H 1 1.890 0.005 . 1 . . . . . . . . 4493 1 382 . 1 1 31 31 GLN CG C 13 33.71 0.05 . 1 . . . . . . . . 4493 1 383 . 1 1 31 31 GLN HG2 H 1 2.262 0.005 . 1 . . . . . . . . 4493 1 384 . 1 1 31 31 GLN HG3 H 1 1.903 0.004 . 1 . . . . . . . . 4493 1 385 . 1 1 31 31 GLN NE2 N 15 110.08 0.00 . 1 . . . . . . . . 4493 1 386 . 1 1 31 31 GLN HE21 H 1 7.645 0.001 . 1 . . . . . . . . 4493 1 387 . 1 1 31 31 GLN HE22 H 1 6.804 0.001 . 1 . . . . . . . . 4493 1 388 . 1 1 32 32 ASP N N 15 119.58 0.00 . 1 . . . . . . . . 4493 1 389 . 1 1 32 32 ASP H H 1 7.870 0.001 . 1 . . . . . . . . 4493 1 390 . 1 1 32 32 ASP CA C 13 57.33 0.04 . 1 . . . . . . . . 4493 1 391 . 1 1 32 32 ASP HA H 1 4.315 0.004 . 1 . . . . . . . . 4493 1 392 . 1 1 32 32 ASP CB C 13 41.04 0.04 . 1 . . . . . . . . 4493 1 393 . 1 1 32 32 ASP HB2 H 1 2.827 0.007 . 1 . . . . . . . . 4493 1 394 . 1 1 32 32 ASP HB3 H 1 2.736 0.010 . 1 . . . . . . . . 4493 1 395 . 1 1 33 33 LYS N N 15 116.05 0.00 . 1 . . . . . . . . 4493 1 396 . 1 1 33 33 LYS H H 1 7.523 0.001 . 1 . . . . . . . . 4493 1 397 . 1 1 33 33 LYS CA C 13 57.90 0.08 . 1 . . . . . . . . 4493 1 398 . 1 1 33 33 LYS HA H 1 4.311 0.003 . 1 . . . . . . . . 4493 1 399 . 1 1 33 33 LYS CB C 13 33.85 0.02 . 1 . . . . . . . . 4493 1 400 . 1 1 33 33 LYS HB2 H 1 1.930 0.009 . 1 . . . . . . . . 4493 1 401 . 1 1 33 33 LYS HB3 H 1 1.858 0.007 . 1 . . . . . . . . 4493 1 402 . 1 1 33 33 LYS CG C 13 24.79 0.00 . 1 . . . . . . . . 4493 1 403 . 1 1 33 33 LYS CD C 13 28.51 0.06 . 1 . . . . . . . . 4493 1 404 . 1 1 33 33 LYS CE C 13 42.11 0.07 . 1 . . . . . . . . 4493 1 405 . 1 1 33 33 LYS HG2 H 1 1.588 0.002 . 1 . . . . . . . . 4493 1 406 . 1 1 33 33 LYS HD2 H 1 1.713 0.005 . 1 . . . . . . . . 4493 1 407 . 1 1 33 33 LYS HE2 H 1 3.110 0.005 . 1 . . . . . . . . 4493 1 408 . 1 1 34 34 GLU N N 15 114.03 0.00 . 1 . . . . . . . . 4493 1 409 . 1 1 34 34 GLU H H 1 8.809 0.001 . 1 . . . . . . . . 4493 1 410 . 1 1 34 34 GLU CA C 13 55.33 0.02 . 1 . . . . . . . . 4493 1 411 . 1 1 34 34 GLU HA H 1 4.493 0.005 . 1 . . . . . . . . 4493 1 412 . 1 1 34 34 GLU CB C 13 32.80 0.06 . 1 . . . . . . . . 4493 1 413 . 1 1 34 34 GLU HB2 H 1 2.280 0.000 . 1 . . . . . . . . 4493 1 414 . 1 1 34 34 GLU HB3 H 1 1.668 0.008 . 1 . . . . . . . . 4493 1 415 . 1 1 34 34 GLU CG C 13 36.40 0.08 . 1 . . . . . . . . 4493 1 416 . 1 1 34 34 GLU HG2 H 1 2.002 0.005 . 1 . . . . . . . . 4493 1 417 . 1 1 35 35 GLY N N 15 108.88 0.01 . 1 . . . . . . . . 4493 1 418 . 1 1 35 35 GLY H H 1 8.300 0.001 . 1 . . . . . . . . 4493 1 419 . 1 1 35 35 GLY CA C 13 46.23 0.05 . 1 . . . . . . . . 4493 1 420 . 1 1 35 35 GLY HA2 H 1 4.107 0.012 . 1 . . . . . . . . 4493 1 421 . 1 1 35 35 GLY HA3 H 1 3.931 0.013 . 1 . . . . . . . . 4493 1 422 . 1 1 36 36 ILE N N 15 119.72 0.00 . 1 . . . . . . . . 4493 1 423 . 1 1 36 36 ILE H H 1 6.186 0.001 . 1 . . . . . . . . 4493 1 424 . 1 1 36 36 ILE CA C 13 56.87 0.04 . 1 . . . . . . . . 4493 1 425 . 1 1 36 36 ILE HA H 1 4.500 0.002 . 1 . . . . . . . . 4493 1 426 . 1 1 36 36 ILE CB C 13 39.97 0.04 . 1 . . . . . . . . 4493 1 427 . 1 1 36 36 ILE HB H 1 1.475 0.007 . 1 . . . . . . . . 4493 1 428 . 1 1 36 36 ILE CG1 C 13 26.97 0.04 . 1 . . . . . . . . 4493 1 429 . 1 1 36 36 ILE HG12 H 1 1.369 0.004 . 1 . . . . . . . . 4493 1 430 . 1 1 36 36 ILE HG13 H 1 1.130 0.007 . 1 . . . . . . . . 4493 1 431 . 1 1 36 36 ILE CG2 C 13 17.44 0.04 . 1 . . . . . . . . 4493 1 432 . 1 1 36 36 ILE HG21 H 1 0.901 0.006 . 1 . . . . . . . . 4493 1 433 . 1 1 36 36 ILE HG22 H 1 0.901 0.006 . 1 . . . . . . . . 4493 1 434 . 1 1 36 36 ILE HG23 H 1 0.901 0.006 . 1 . . . . . . . . 4493 1 435 . 1 1 36 36 ILE CD1 C 13 13.01 0.03 . 1 . . . . . . . . 4493 1 436 . 1 1 36 36 ILE HD11 H 1 0.791 0.004 . 1 . . . . . . . . 4493 1 437 . 1 1 36 36 ILE HD12 H 1 0.791 0.004 . 1 . . . . . . . . 4493 1 438 . 1 1 36 36 ILE HD13 H 1 0.791 0.004 . 1 . . . . . . . . 4493 1 439 . 1 1 37 37 PRO CA C 13 61.63 0.04 . 1 . . . . . . . . 4493 1 440 . 1 1 37 37 PRO HA H 1 4.604 0.002 . 1 . . . . . . . . 4493 1 441 . 1 1 37 37 PRO CB C 13 31.56 0.05 . 1 . . . . . . . . 4493 1 442 . 1 1 37 37 PRO HB2 H 1 2.404 0.006 . 1 . . . . . . . . 4493 1 443 . 1 1 37 37 PRO HB3 H 1 1.948 0.005 . 1 . . . . . . . . 4493 1 444 . 1 1 37 37 PRO CG C 13 28.14 0.04 . 1 . . . . . . . . 4493 1 445 . 1 1 37 37 PRO CD C 13 51.11 0.05 . 1 . . . . . . . . 4493 1 446 . 1 1 37 37 PRO HD3 H 1 4.136 0.005 . 1 . . . . . . . . 4493 1 447 . 1 1 37 37 PRO HD2 H 1 3.554 0.005 . 1 . . . . . . . . 4493 1 448 . 1 1 37 37 PRO HG2 H 1 2.051 0.006 . 1 . . . . . . . . 4493 1 449 . 1 1 38 38 PRO CA C 13 66.27 0.04 . 1 . . . . . . . . 4493 1 450 . 1 1 38 38 PRO HA H 1 4.059 0.006 . 1 . . . . . . . . 4493 1 451 . 1 1 38 38 PRO CB C 13 32.92 0.03 . 1 . . . . . . . . 4493 1 452 . 1 1 38 38 PRO HB2 H 1 2.256 0.002 . 1 . . . . . . . . 4493 1 453 . 1 1 38 38 PRO HB3 H 1 2.029 0.005 . 1 . . . . . . . . 4493 1 454 . 1 1 38 38 PRO CG C 13 27.61 0.04 . 1 . . . . . . . . 4493 1 455 . 1 1 38 38 PRO HG2 H 1 2.190 0.009 . 1 . . . . . . . . 4493 1 456 . 1 1 38 38 PRO HG3 H 1 1.623 0.008 . 1 . . . . . . . . 4493 1 457 . 1 1 38 38 PRO CD C 13 50.88 0.07 . 1 . . . . . . . . 4493 1 458 . 1 1 38 38 PRO HD2 H 1 3.723 0.006 . 1 . . . . . . . . 4493 1 459 . 1 1 39 39 ASP N N 15 113.40 0.00 . 1 . . . . . . . . 4493 1 460 . 1 1 39 39 ASP H H 1 8.533 0.001 . 1 . . . . . . . . 4493 1 461 . 1 1 39 39 ASP CA C 13 55.65 0.06 . 1 . . . . . . . . 4493 1 462 . 1 1 39 39 ASP HA H 1 4.395 0.005 . 1 . . . . . . . . 4493 1 463 . 1 1 39 39 ASP CB C 13 39.77 0.02 . 1 . . . . . . . . 4493 1 464 . 1 1 39 39 ASP HB2 H 1 2.756 0.004 . 1 . . . . . . . . 4493 1 465 . 1 1 39 39 ASP HB3 H 1 2.657 0.006 . 1 . . . . . . . . 4493 1 466 . 1 1 40 40 GLN N N 15 116.83 0.00 . 1 . . . . . . . . 4493 1 467 . 1 1 40 40 GLN H H 1 7.895 0.001 . 1 . . . . . . . . 4493 1 468 . 1 1 40 40 GLN CA C 13 55.49 0.03 . 1 . . . . . . . . 4493 1 469 . 1 1 40 40 GLN HA H 1 4.470 0.001 . 1 . . . . . . . . 4493 1 470 . 1 1 40 40 GLN CB C 13 30.14 0.05 . 1 . . . . . . . . 4493 1 471 . 1 1 40 40 GLN HB2 H 1 2.469 0.002 . 1 . . . . . . . . 4493 1 472 . 1 1 40 40 GLN HB3 H 1 1.781 0.003 . 1 . . . . . . . . 4493 1 473 . 1 1 40 40 GLN CG C 13 34.35 0.04 . 1 . . . . . . . . 4493 1 474 . 1 1 40 40 GLN NE2 N 15 111.55 0.01 . 1 . . . . . . . . 4493 1 475 . 1 1 40 40 GLN HE21 H 1 7.672 0.001 . 1 . . . . . . . . 4493 1 476 . 1 1 40 40 GLN HE22 H 1 6.757 0.001 . 1 . . . . . . . . 4493 1 477 . 1 1 40 40 GLN HG2 H 1 2.369 0.005 . 1 . . . . . . . . 4493 1 478 . 1 1 41 41 GLN N N 15 118.63 0.00 . 1 . . . . . . . . 4493 1 479 . 1 1 41 41 GLN H H 1 7.340 0.000 . 1 . . . . . . . . 4493 1 480 . 1 1 41 41 GLN CA C 13 56.48 0.07 . 1 . . . . . . . . 4493 1 481 . 1 1 41 41 GLN HA H 1 4.094 0.006 . 1 . . . . . . . . 4493 1 482 . 1 1 41 41 GLN CB C 13 30.78 0.06 . 1 . . . . . . . . 4493 1 483 . 1 1 41 41 GLN HB2 H 1 1.798 0.000 . 1 . . . . . . . . 4493 1 484 . 1 1 41 41 GLN HB3 H 1 1.926 0.009 . 1 . . . . . . . . 4493 1 485 . 1 1 41 41 GLN CG C 13 33.36 0.04 . 1 . . . . . . . . 4493 1 486 . 1 1 41 41 GLN HG2 H 1 2.490 0.005 . 1 . . . . . . . . 4493 1 487 . 1 1 41 41 GLN HG3 H 1 1.596 0.006 . 1 . . . . . . . . 4493 1 488 . 1 1 41 41 GLN NE2 N 15 103.64 0.01 . 1 . . . . . . . . 4493 1 489 . 1 1 41 41 GLN HE21 H 1 6.563 0.002 . 1 . . . . . . . . 4493 1 490 . 1 1 41 41 GLN HE22 H 1 6.415 0.001 . 1 . . . . . . . . 4493 1 491 . 1 1 42 42 ARG N N 15 124.84 0.00 . 1 . . . . . . . . 4493 1 492 . 1 1 42 42 ARG H H 1 8.409 0.001 . 1 . . . . . . . . 4493 1 493 . 1 1 42 42 ARG CA C 13 55.60 0.06 . 1 . . . . . . . . 4493 1 494 . 1 1 42 42 ARG HA H 1 4.428 0.006 . 1 . . . . . . . . 4493 1 495 . 1 1 42 42 ARG CB C 13 31.44 0.03 . 1 . . . . . . . . 4493 1 496 . 1 1 42 42 ARG HB2 H 1 1.700 0.006 . 1 . . . . . . . . 4493 1 497 . 1 1 42 42 ARG HB3 H 1 1.516 0.004 . 1 . . . . . . . . 4493 1 498 . 1 1 42 42 ARG CG C 13 27.34 0.02 . 1 . . . . . . . . 4493 1 499 . 1 1 42 42 ARG HG2 H 1 1.475 0.000 . 1 . . . . . . . . 4493 1 500 . 1 1 42 42 ARG HG3 H 1 1.282 0.000 . 1 . . . . . . . . 4493 1 501 . 1 1 42 42 ARG CD C 13 43.60 0.04 . 1 . . . . . . . . 4493 1 502 . 1 1 42 42 ARG NE N 15 84.08 0.00 . 1 . . . . . . . . 4493 1 503 . 1 1 42 42 ARG HE H 1 7.175 0.002 . 1 . . . . . . . . 4493 1 504 . 1 1 42 42 ARG HD2 H 1 3.084 0.006 . 1 . . . . . . . . 4493 1 505 . 1 1 43 43 LEU N N 15 125.91 0.00 . 1 . . . . . . . . 4493 1 506 . 1 1 43 43 LEU H H 1 8.904 0.001 . 1 . . . . . . . . 4493 1 507 . 1 1 43 43 LEU CA C 13 52.66 0.07 . 1 . . . . . . . . 4493 1 508 . 1 1 43 43 LEU HA H 1 5.345 0.007 . 1 . . . . . . . . 4493 1 509 . 1 1 43 43 LEU CB C 13 44.87 0.05 . 1 . . . . . . . . 4493 1 510 . 1 1 43 43 LEU HB2 H 1 1.026 0.007 . 1 . . . . . . . . 4493 1 511 . 1 1 43 43 LEU HB3 H 1 1.738 0.007 . 1 . . . . . . . . 4493 1 512 . 1 1 43 43 LEU CG C 13 26.98 0.04 . 1 . . . . . . . . 4493 1 513 . 1 1 43 43 LEU HG H 1 1.467 0.002 . 1 . . . . . . . . 4493 1 514 . 1 1 43 43 LEU CD1 C 13 27.17 0.05 . 1 . . . . . . . . 4493 1 515 . 1 1 43 43 LEU HD11 H 1 0.790 0.006 . 2 . . . . . . . . 4493 1 516 . 1 1 43 43 LEU HD12 H 1 0.790 0.006 . 2 . . . . . . . . 4493 1 517 . 1 1 43 43 LEU HD13 H 1 0.790 0.006 . 2 . . . . . . . . 4493 1 518 . 1 1 43 43 LEU CD2 C 13 24.29 0.02 . 1 . . . . . . . . 4493 1 519 . 1 1 43 43 LEU HD21 H 1 0.753 0.005 . 2 . . . . . . . . 4493 1 520 . 1 1 43 43 LEU HD22 H 1 0.753 0.005 . 2 . . . . . . . . 4493 1 521 . 1 1 43 43 LEU HD23 H 1 0.753 0.005 . 2 . . . . . . . . 4493 1 522 . 1 1 44 44 ILE N N 15 122.52 0.00 . 1 . . . . . . . . 4493 1 523 . 1 1 44 44 ILE H H 1 9.110 0.000 . 1 . . . . . . . . 4493 1 524 . 1 1 44 44 ILE CA C 13 58.97 0.05 . 1 . . . . . . . . 4493 1 525 . 1 1 44 44 ILE HA H 1 4.914 0.006 . 1 . . . . . . . . 4493 1 526 . 1 1 44 44 ILE CB C 13 40.33 0.04 . 1 . . . . . . . . 4493 1 527 . 1 1 44 44 ILE HB H 1 1.782 0.002 . 1 . . . . . . . . 4493 1 528 . 1 1 44 44 ILE CG1 C 13 27.26 0.04 . 1 . . . . . . . . 4493 1 529 . 1 1 44 44 ILE HG12 H 1 1.360 0.004 . 1 . . . . . . . . 4493 1 530 . 1 1 44 44 ILE HG13 H 1 1.080 0.006 . 1 . . . . . . . . 4493 1 531 . 1 1 44 44 ILE CG2 C 13 17.58 0.05 . 1 . . . . . . . . 4493 1 532 . 1 1 44 44 ILE HG21 H 1 0.685 0.006 . 1 . . . . . . . . 4493 1 533 . 1 1 44 44 ILE HG22 H 1 0.685 0.006 . 1 . . . . . . . . 4493 1 534 . 1 1 44 44 ILE HG23 H 1 0.685 0.006 . 1 . . . . . . . . 4493 1 535 . 1 1 44 44 ILE CD1 C 13 12.09 0.05 . 1 . . . . . . . . 4493 1 536 . 1 1 44 44 ILE HD11 H 1 0.661 0.005 . 1 . . . . . . . . 4493 1 537 . 1 1 44 44 ILE HD12 H 1 0.661 0.005 . 1 . . . . . . . . 4493 1 538 . 1 1 44 44 ILE HD13 H 1 0.661 0.005 . 1 . . . . . . . . 4493 1 539 . 1 1 45 45 PHE N N 15 127.38 0.01 . 1 . . . . . . . . 4493 1 540 . 1 1 45 45 PHE H H 1 9.189 0.001 . 1 . . . . . . . . 4493 1 541 . 1 1 45 45 PHE CA C 13 56.15 0.05 . 1 . . . . . . . . 4493 1 542 . 1 1 45 45 PHE HA H 1 5.207 0.004 . 1 . . . . . . . . 4493 1 543 . 1 1 45 45 PHE CB C 13 43.26 0.05 . 1 . . . . . . . . 4493 1 544 . 1 1 45 45 PHE HB2 H 1 2.946 0.005 . 1 . . . . . . . . 4493 1 545 . 1 1 45 45 PHE HB3 H 1 2.806 0.005 . 1 . . . . . . . . 4493 1 546 . 1 1 45 45 PHE CZ C 13 129.86 0.06 . 1 . . . . . . . . 4493 1 547 . 1 1 45 45 PHE HZ H 1 7.438 0.004 . 1 . . . . . . . . 4493 1 548 . 1 1 45 45 PHE CD2 C 13 132.33 0.08 . 1 . . . . . . . . 4493 1 549 . 1 1 45 45 PHE HD2 H 1 7.448 0.002 . 1 . . . . . . . . 4493 1 550 . 1 1 45 45 PHE CE2 C 13 132.39 0.09 . 1 . . . . . . . . 4493 1 551 . 1 1 45 45 PHE HE2 H 1 7.550 0.006 . 1 . . . . . . . . 4493 1 552 . 1 1 46 46 ALA N N 15 132.99 0.01 . 1 . . . . . . . . 4493 1 553 . 1 1 46 46 ALA H H 1 9.021 0.002 . 1 . . . . . . . . 4493 1 554 . 1 1 46 46 ALA CA C 13 52.42 0.05 . 1 . . . . . . . . 4493 1 555 . 1 1 46 46 ALA HA H 1 3.703 0.004 . 1 . . . . . . . . 4493 1 556 . 1 1 46 46 ALA CB C 13 16.40 0.05 . 1 . . . . . . . . 4493 1 557 . 1 1 46 46 ALA HB1 H 1 0.806 0.002 . 1 . . . . . . . . 4493 1 558 . 1 1 46 46 ALA HB2 H 1 0.806 0.002 . 1 . . . . . . . . 4493 1 559 . 1 1 46 46 ALA HB3 H 1 0.806 0.002 . 1 . . . . . . . . 4493 1 560 . 1 1 47 47 GLY N N 15 102.38 0.00 . 1 . . . . . . . . 4493 1 561 . 1 1 47 47 GLY H H 1 8.070 0.001 . 1 . . . . . . . . 4493 1 562 . 1 1 47 47 GLY CA C 13 45.32 0.05 . 1 . . . . . . . . 4493 1 563 . 1 1 47 47 GLY HA2 H 1 4.107 0.012 . 1 . . . . . . . . 4493 1 564 . 1 1 47 47 GLY HA3 H 1 3.458 0.012 . 1 . . . . . . . . 4493 1 565 . 1 1 48 48 LYS N N 15 122.11 0.00 . 1 . . . . . . . . 4493 1 566 . 1 1 48 48 LYS H H 1 8.112 0.002 . 1 . . . . . . . . 4493 1 567 . 1 1 48 48 LYS CA C 13 54.64 0.07 . 1 . . . . . . . . 4493 1 568 . 1 1 48 48 LYS HA H 1 4.654 0.007 . 1 . . . . . . . . 4493 1 569 . 1 1 48 48 LYS CB C 13 34.57 0.03 . 1 . . . . . . . . 4493 1 570 . 1 1 48 48 LYS HB2 H 1 2.064 0.002 . 1 . . . . . . . . 4493 1 571 . 1 1 48 48 LYS HB3 H 1 1.973 0.003 . 1 . . . . . . . . 4493 1 572 . 1 1 48 48 LYS CG C 13 24.77 0.01 . 1 . . . . . . . . 4493 1 573 . 1 1 48 48 LYS CD C 13 29.17 0.06 . 1 . . . . . . . . 4493 1 574 . 1 1 48 48 LYS CE C 13 42.33 0.00 . 1 . . . . . . . . 4493 1 575 . 1 1 48 48 LYS HG2 H 1 1.581 0.003 . 1 . . . . . . . . 4493 1 576 . 1 1 48 48 LYS HD2 H 1 1.926 0.011 . 1 . . . . . . . . 4493 1 577 . 1 1 48 48 LYS HE2 H 1 3.174 0.001 . 1 . . . . . . . . 4493 1 578 . 1 1 48 48 LYS HG3 H 1 1.581 0.003 . 1 . . . . . . . . 4493 1 579 . 1 1 48 48 LYS HD3 H 1 1.926 0.011 . 1 . . . . . . . . 4493 1 580 . 1 1 48 48 LYS HE3 H 1 3.174 0.001 . 1 . . . . . . . . 4493 1 581 . 1 1 49 49 GLN N N 15 122.91 0.00 . 1 . . . . . . . . 4493 1 582 . 1 1 49 49 GLN H H 1 8.615 0.001 . 1 . . . . . . . . 4493 1 583 . 1 1 49 49 GLN CA C 13 55.04 0.04 . 1 . . . . . . . . 4493 1 584 . 1 1 49 49 GLN HA H 1 4.898 0.006 . 1 . . . . . . . . 4493 1 585 . 1 1 49 49 GLN CB C 13 29.56 0.04 . 1 . . . . . . . . 4493 1 586 . 1 1 49 49 GLN CG C 13 34.59 0.05 . 1 . . . . . . . . 4493 1 587 . 1 1 49 49 GLN NE2 N 15 112.32 0.01 . 1 . . . . . . . . 4493 1 588 . 1 1 49 49 GLN HE21 H 1 7.611 0.002 . 1 . . . . . . . . 4493 1 589 . 1 1 49 49 GLN HE22 H 1 6.881 0.001 . 1 . . . . . . . . 4493 1 590 . 1 1 49 49 GLN HB2 H 1 1.967 0.002 . 1 . . . . . . . . 4493 1 591 . 1 1 49 49 GLN HG2 H 1 2.265 0.005 . 1 . . . . . . . . 4493 1 592 . 1 1 49 49 GLN HB3 H 1 1.967 0.002 . 1 . . . . . . . . 4493 1 593 . 1 1 49 49 GLN HG3 H 1 2.265 0.005 . 1 . . . . . . . . 4493 1 594 . 1 1 50 50 LEU N N 15 125.57 0.00 . 1 . . . . . . . . 4493 1 595 . 1 1 50 50 LEU H H 1 8.534 0.001 . 1 . . . . . . . . 4493 1 596 . 1 1 50 50 LEU CA C 13 55.44 0.05 . 1 . . . . . . . . 4493 1 597 . 1 1 50 50 LEU HA H 1 3.830 0.006 . 1 . . . . . . . . 4493 1 598 . 1 1 50 50 LEU CB C 13 41.07 0.04 . 1 . . . . . . . . 4493 1 599 . 1 1 50 50 LEU HB2 H 1 1.228 0.005 . 1 . . . . . . . . 4493 1 600 . 1 1 50 50 LEU HB3 H 1 1.532 0.007 . 1 . . . . . . . . 4493 1 601 . 1 1 50 50 LEU CG C 13 27.37 0.05 . 1 . . . . . . . . 4493 1 602 . 1 1 50 50 LEU HG H 1 1.150 0.005 . 1 . . . . . . . . 4493 1 603 . 1 1 50 50 LEU CD1 C 13 25.05 0.06 . 1 . . . . . . . . 4493 1 604 . 1 1 50 50 LEU HD11 H 1 0.570 0.003 . 2 . . . . . . . . 4493 1 605 . 1 1 50 50 LEU HD12 H 1 0.570 0.003 . 2 . . . . . . . . 4493 1 606 . 1 1 50 50 LEU HD13 H 1 0.570 0.003 . 2 . . . . . . . . 4493 1 607 . 1 1 50 50 LEU CD2 C 13 22.05 0.05 . 1 . . . . . . . . 4493 1 608 . 1 1 50 50 LEU HD21 H 1 0.149 0.003 . 2 . . . . . . . . 4493 1 609 . 1 1 50 50 LEU HD22 H 1 0.149 0.003 . 2 . . . . . . . . 4493 1 610 . 1 1 50 50 LEU HD23 H 1 0.149 0.003 . 2 . . . . . . . . 4493 1 611 . 1 1 51 51 GLU N N 15 123.54 0.00 . 1 . . . . . . . . 4493 1 612 . 1 1 51 51 GLU H H 1 8.291 0.001 . 1 . . . . . . . . 4493 1 613 . 1 1 51 51 GLU CA C 13 55.36 0.05 . 1 . . . . . . . . 4493 1 614 . 1 1 51 51 GLU HA H 1 4.591 0.006 . 1 . . . . . . . . 4493 1 615 . 1 1 51 51 GLU CB C 13 32.40 0.02 . 1 . . . . . . . . 4493 1 616 . 1 1 51 51 GLU HB2 H 1 2.194 0.005 . 1 . . . . . . . . 4493 1 617 . 1 1 51 51 GLU HB3 H 1 1.916 0.001 . 1 . . . . . . . . 4493 1 618 . 1 1 51 51 GLU CG C 13 36.20 0.05 . 1 . . . . . . . . 4493 1 619 . 1 1 51 51 GLU HG2 H 1 2.453 0.008 . 1 . . . . . . . . 4493 1 620 . 1 1 51 51 GLU HG3 H 1 2.311 0.005 . 1 . . . . . . . . 4493 1 621 . 1 1 52 52 ASP N N 15 121.12 0.00 . 1 . . . . . . . . 4493 1 622 . 1 1 52 52 ASP H H 1 8.191 0.001 . 1 . . . . . . . . 4493 1 623 . 1 1 52 52 ASP CA C 13 56.06 0.06 . 1 . . . . . . . . 4493 1 624 . 1 1 52 52 ASP HA H 1 4.381 0.001 . 1 . . . . . . . . 4493 1 625 . 1 1 52 52 ASP CB C 13 40.24 0.04 . 1 . . . . . . . . 4493 1 626 . 1 1 52 52 ASP HB2 H 1 2.667 0.010 . 1 . . . . . . . . 4493 1 627 . 1 1 52 52 ASP HB3 H 1 2.495 0.007 . 1 . . . . . . . . 4493 1 628 . 1 1 53 53 GLY N N 15 111.51 0.00 . 1 . . . . . . . . 4493 1 629 . 1 1 53 53 GLY H H 1 10.143 0.002 . 1 . . . . . . . . 4493 1 630 . 1 1 53 53 GLY CA C 13 45.23 0.05 . 1 . . . . . . . . 4493 1 631 . 1 1 53 53 GLY HA2 H 1 4.286 0.005 . 1 . . . . . . . . 4493 1 632 . 1 1 53 53 GLY HA3 H 1 3.948 0.002 . 1 . . . . . . . . 4493 1 633 . 1 1 54 54 ARG N N 15 119.30 0.00 . 1 . . . . . . . . 4493 1 634 . 1 1 54 54 ARG H H 1 7.482 0.002 . 1 . . . . . . . . 4493 1 635 . 1 1 54 54 ARG CA C 13 54.27 0.06 . 1 . . . . . . . . 4493 1 636 . 1 1 54 54 ARG HA H 1 4.824 0.007 . 1 . . . . . . . . 4493 1 637 . 1 1 54 54 ARG CB C 13 32.84 0.06 . 1 . . . . . . . . 4493 1 638 . 1 1 54 54 ARG CG C 13 27.29 0.05 . 1 . . . . . . . . 4493 1 639 . 1 1 54 54 ARG HG2 H 1 1.937 0.007 . 1 . . . . . . . . 4493 1 640 . 1 1 54 54 ARG HG3 H 1 1.668 0.004 . 1 . . . . . . . . 4493 1 641 . 1 1 54 54 ARG CD C 13 42.89 0.03 . 1 . . . . . . . . 4493 1 642 . 1 1 54 54 ARG NE N 15 85.53 0.01 . 1 . . . . . . . . 4493 1 643 . 1 1 54 54 ARG HE H 1 7.144 0.001 . 1 . . . . . . . . 4493 1 644 . 1 1 54 54 ARG HB2 H 1 2.372 0.006 . 1 . . . . . . . . 4493 1 645 . 1 1 54 54 ARG HB3 H 1 2.372 0.006 . 1 . . . . . . . . 4493 1 646 . 1 1 54 54 ARG HD2 H 1 3.195 0.009 . 1 . . . . . . . . 4493 1 647 . 1 1 54 54 ARG HD3 H 1 3.195 0.009 . 1 . . . . . . . . 4493 1 648 . 1 1 55 55 THR N N 15 110.10 0.01 . 1 . . . . . . . . 4493 1 649 . 1 1 55 55 THR H H 1 8.873 0.002 . 1 . . . . . . . . 4493 1 650 . 1 1 55 55 THR CA C 13 60.03 0.06 . 1 . . . . . . . . 4493 1 651 . 1 1 55 55 THR HA H 1 5.239 0.005 . 1 . . . . . . . . 4493 1 652 . 1 1 55 55 THR CB C 13 71.85 0.06 . 1 . . . . . . . . 4493 1 653 . 1 1 55 55 THR HB H 1 4.472 0.005 . 1 . . . . . . . . 4493 1 654 . 1 1 55 55 THR CG2 C 13 22.10 0.03 . 1 . . . . . . . . 4493 1 655 . 1 1 55 55 THR HG21 H 1 1.153 0.004 . 1 . . . . . . . . 4493 1 656 . 1 1 55 55 THR HG22 H 1 1.153 0.004 . 1 . . . . . . . . 4493 1 657 . 1 1 55 55 THR HG23 H 1 1.153 0.004 . 1 . . . . . . . . 4493 1 658 . 1 1 56 56 LEU N N 15 119.22 0.01 . 1 . . . . . . . . 4493 1 659 . 1 1 56 56 LEU H H 1 8.510 0.003 . 1 . . . . . . . . 4493 1 660 . 1 1 56 56 LEU CA C 13 58.86 0.04 . 1 . . . . . . . . 4493 1 661 . 1 1 56 56 LEU HA H 1 4.042 0.006 . 1 . . . . . . . . 4493 1 662 . 1 1 56 56 LEU CB C 13 39.01 0.06 . 1 . . . . . . . . 4493 1 663 . 1 1 56 56 LEU HB2 H 1 1.056 0.005 . 1 . . . . . . . . 4493 1 664 . 1 1 56 56 LEU HB3 H 1 1.869 0.005 . 1 . . . . . . . . 4493 1 665 . 1 1 56 56 LEU CG C 13 27.16 0.01 . 1 . . . . . . . . 4493 1 666 . 1 1 56 56 LEU HG H 1 1.661 0.000 . 1 . . . . . . . . 4493 1 667 . 1 1 56 56 LEU CD1 C 13 25.04 0.05 . 1 . . . . . . . . 4493 1 668 . 1 1 56 56 LEU HD11 H 1 0.411 0.003 . 2 . . . . . . . . 4493 1 669 . 1 1 56 56 LEU HD12 H 1 0.411 0.003 . 2 . . . . . . . . 4493 1 670 . 1 1 56 56 LEU HD13 H 1 0.411 0.003 . 2 . . . . . . . . 4493 1 671 . 1 1 56 56 LEU CD2 C 13 21.73 0.04 . 1 . . . . . . . . 4493 1 672 . 1 1 56 56 LEU HD21 H 1 0.305 0.004 . 2 . . . . . . . . 4493 1 673 . 1 1 56 56 LEU HD22 H 1 0.305 0.004 . 2 . . . . . . . . 4493 1 674 . 1 1 56 56 LEU HD23 H 1 0.305 0.004 . 2 . . . . . . . . 4493 1 675 . 1 1 57 57 SER N N 15 113.75 0.01 . 1 . . . . . . . . 4493 1 676 . 1 1 57 57 SER H H 1 8.617 0.001 . 1 . . . . . . . . 4493 1 677 . 1 1 57 57 SER CA C 13 60.74 0.06 . 1 . . . . . . . . 4493 1 678 . 1 1 57 57 SER HA H 1 4.288 0.001 . 1 . . . . . . . . 4493 1 679 . 1 1 57 57 SER CB C 13 62.48 0.06 . 1 . . . . . . . . 4493 1 680 . 1 1 57 57 SER HB2 H 1 3.753 0.005 . 1 . . . . . . . . 4493 1 681 . 1 1 57 57 SER HB3 H 1 3.890 0.003 . 1 . . . . . . . . 4493 1 682 . 1 1 58 58 ASP N N 15 124.24 0.00 . 1 . . . . . . . . 4493 1 683 . 1 1 58 58 ASP H H 1 7.809 0.002 . 1 . . . . . . . . 4493 1 684 . 1 1 58 58 ASP CA C 13 57.31 0.00 . 1 . . . . . . . . 4493 1 685 . 1 1 58 58 ASP HA H 1 4.340 0.000 . 1 . . . . . . . . 4493 1 686 . 1 1 58 58 ASP CB C 13 40.19 0.03 . 1 . . . . . . . . 4493 1 687 . 1 1 58 58 ASP HB2 H 1 2.310 0.006 . 1 . . . . . . . . 4493 1 688 . 1 1 58 58 ASP HB3 H 1 3.008 0.008 . 1 . . . . . . . . 4493 1 689 . 1 1 59 59 TYR N N 15 116.03 0.00 . 1 . . . . . . . . 4493 1 690 . 1 1 59 59 TYR H H 1 7.452 0.002 . 1 . . . . . . . . 4493 1 691 . 1 1 59 59 TYR CA C 13 58.38 0.07 . 1 . . . . . . . . 4493 1 692 . 1 1 59 59 TYR HA H 1 4.514 0.006 . 1 . . . . . . . . 4493 1 693 . 1 1 59 59 TYR CB C 13 39.59 0.05 . 1 . . . . . . . . 4493 1 694 . 1 1 59 59 TYR HB2 H 1 3.504 0.007 . 1 . . . . . . . . 4493 1 695 . 1 1 59 59 TYR HB3 H 1 2.628 0.006 . 1 . . . . . . . . 4493 1 696 . 1 1 59 59 TYR CD1 C 13 133.63 0.06 . 1 . . . . . . . . 4493 1 697 . 1 1 59 59 TYR HD1 H 1 7.268 0.005 . 1 . . . . . . . . 4493 1 698 . 1 1 59 59 TYR CE1 C 13 118.62 0.05 . 1 . . . . . . . . 4493 1 699 . 1 1 59 59 TYR HE1 H 1 6.862 0.005 . 1 . . . . . . . . 4493 1 700 . 1 1 59 59 TYR CD2 C 13 133.63 0.06 . 1 . . . . . . . . 4493 1 701 . 1 1 59 59 TYR HD2 H 1 7.268 0.005 . 1 . . . . . . . . 4493 1 702 . 1 1 59 59 TYR CE2 C 13 118.62 0.05 . 1 . . . . . . . . 4493 1 703 . 1 1 59 59 TYR HE2 H 1 6.862 0.005 . 1 . . . . . . . . 4493 1 704 . 1 1 60 60 ASN N N 15 114.76 0.01 . 1 . . . . . . . . 4493 1 705 . 1 1 60 60 ASN H H 1 8.131 0.003 . 1 . . . . . . . . 4493 1 706 . 1 1 60 60 ASN CA C 13 54.21 0.05 . 1 . . . . . . . . 4493 1 707 . 1 1 60 60 ASN HA H 1 4.376 0.005 . 1 . . . . . . . . 4493 1 708 . 1 1 60 60 ASN CB C 13 37.21 0.05 . 1 . . . . . . . . 4493 1 709 . 1 1 60 60 ASN HB2 H 1 3.305 0.008 . 1 . . . . . . . . 4493 1 710 . 1 1 60 60 ASN HB3 H 1 2.858 0.005 . 1 . . . . . . . . 4493 1 711 . 1 1 60 60 ASN ND2 N 15 111.52 0.01 . 1 . . . . . . . . 4493 1 712 . 1 1 60 60 ASN HD21 H 1 7.529 0.001 . 1 . . . . . . . . 4493 1 713 . 1 1 60 60 ASN HD22 H 1 6.823 0.001 . 1 . . . . . . . . 4493 1 714 . 1 1 61 61 ILE N N 15 118.23 0.00 . 1 . . . . . . . . 4493 1 715 . 1 1 61 61 ILE H H 1 6.668 0.001 . 1 . . . . . . . . 4493 1 716 . 1 1 61 61 ILE CA C 13 62.79 0.04 . 1 . . . . . . . . 4493 1 717 . 1 1 61 61 ILE HA H 1 3.189 0.005 . 1 . . . . . . . . 4493 1 718 . 1 1 61 61 ILE CB C 13 37.25 0.06 . 1 . . . . . . . . 4493 1 719 . 1 1 61 61 ILE HB H 1 1.132 0.006 . 1 . . . . . . . . 4493 1 720 . 1 1 61 61 ILE CG1 C 13 28.92 0.05 . 1 . . . . . . . . 4493 1 721 . 1 1 61 61 ILE HG12 H 1 1.020 0.003 . 1 . . . . . . . . 4493 1 722 . 1 1 61 61 ILE HG13 H 1 0.405 0.004 . 1 . . . . . . . . 4493 1 723 . 1 1 61 61 ILE CG2 C 13 17.35 0.04 . 1 . . . . . . . . 4493 1 724 . 1 1 61 61 ILE HG21 H 1 0.339 0.007 . 1 . . . . . . . . 4493 1 725 . 1 1 61 61 ILE HG22 H 1 0.339 0.007 . 1 . . . . . . . . 4493 1 726 . 1 1 61 61 ILE HG23 H 1 0.339 0.007 . 1 . . . . . . . . 4493 1 727 . 1 1 61 61 ILE CD1 C 13 13.88 0.05 . 1 . . . . . . . . 4493 1 728 . 1 1 61 61 ILE HD11 H 1 0.390 0.005 . 1 . . . . . . . . 4493 1 729 . 1 1 61 61 ILE HD12 H 1 0.390 0.005 . 1 . . . . . . . . 4493 1 730 . 1 1 61 61 ILE HD13 H 1 0.390 0.005 . 1 . . . . . . . . 4493 1 731 . 1 1 62 62 GLN N N 15 125.46 0.00 . 1 . . . . . . . . 4493 1 732 . 1 1 62 62 GLN H H 1 7.731 0.001 . 1 . . . . . . . . 4493 1 733 . 1 1 62 62 GLN CA C 13 53.38 0.05 . 1 . . . . . . . . 4493 1 734 . 1 1 62 62 GLN HA H 1 4.548 0.003 . 1 . . . . . . . . 4493 1 735 . 1 1 62 62 GLN CB C 13 32.52 0.09 . 1 . . . . . . . . 4493 1 736 . 1 1 62 62 GLN HB2 H 1 2.184 0.001 . 1 . . . . . . . . 4493 1 737 . 1 1 62 62 GLN HB3 H 1 1.835 0.001 . 1 . . . . . . . . 4493 1 738 . 1 1 62 62 GLN CG C 13 33.10 0.03 . 1 . . . . . . . . 4493 1 739 . 1 1 62 62 GLN NE2 N 15 112.14 0.00 . 1 . . . . . . . . 4493 1 740 . 1 1 62 62 GLN HE21 H 1 7.270 0.003 . 1 . . . . . . . . 4493 1 741 . 1 1 62 62 GLN HE22 H 1 6.796 0.001 . 1 . . . . . . . . 4493 1 742 . 1 1 62 62 GLN HG2 H 1 2.310 0.009 . 1 . . . . . . . . 4493 1 743 . 1 1 62 62 GLN HG3 H 1 2.310 0.009 . 1 . . . . . . . . 4493 1 744 . 1 1 63 63 LYS N N 15 120.77 0.01 . 1 . . . . . . . . 4493 1 745 . 1 1 63 63 LYS H H 1 8.371 0.001 . 1 . . . . . . . . 4493 1 746 . 1 1 63 63 LYS CA C 13 58.02 0.05 . 1 . . . . . . . . 4493 1 747 . 1 1 63 63 LYS HA H 1 3.932 0.003 . 1 . . . . . . . . 4493 1 748 . 1 1 63 63 LYS CB C 13 32.34 0.03 . 1 . . . . . . . . 4493 1 749 . 1 1 63 63 LYS HB2 H 1 1.937 0.002 . 1 . . . . . . . . 4493 1 750 . 1 1 63 63 LYS HB3 H 1 1.799 0.008 . 1 . . . . . . . . 4493 1 751 . 1 1 63 63 LYS CG C 13 24.39 0.03 . 1 . . . . . . . . 4493 1 752 . 1 1 63 63 LYS HG2 H 1 1.534 0.009 . 1 . . . . . . . . 4493 1 753 . 1 1 63 63 LYS HG3 H 1 1.416 0.005 . 1 . . . . . . . . 4493 1 754 . 1 1 63 63 LYS CD C 13 29.74 0.06 . 1 . . . . . . . . 4493 1 755 . 1 1 63 63 LYS CE C 13 41.93 0.07 . 1 . . . . . . . . 4493 1 756 . 1 1 63 63 LYS HD2 H 1 1.718 0.005 . 1 . . . . . . . . 4493 1 757 . 1 1 63 63 LYS HE2 H 1 3.009 0.008 . 1 . . . . . . . . 4493 1 758 . 1 1 63 63 LYS HD3 H 1 1.718 0.005 . 1 . . . . . . . . 4493 1 759 . 1 1 63 63 LYS HE3 H 1 3.009 0.008 . 1 . . . . . . . . 4493 1 760 . 1 1 64 64 GLU N N 15 115.99 0.00 . 1 . . . . . . . . 4493 1 761 . 1 1 64 64 GLU H H 1 9.306 0.001 . 1 . . . . . . . . 4493 1 762 . 1 1 64 64 GLU CA C 13 58.52 0.04 . 1 . . . . . . . . 4493 1 763 . 1 1 64 64 GLU HA H 1 3.152 0.004 . 1 . . . . . . . . 4493 1 764 . 1 1 64 64 GLU CB C 13 26.05 0.04 . 1 . . . . . . . . 4493 1 765 . 1 1 64 64 GLU HB2 H 1 2.478 0.006 . 1 . . . . . . . . 4493 1 766 . 1 1 64 64 GLU HB3 H 1 2.355 0.007 . 1 . . . . . . . . 4493 1 767 . 1 1 64 64 GLU CG C 13 37.36 0.03 . 1 . . . . . . . . 4493 1 768 . 1 1 64 64 GLU HG2 H 1 2.146 0.010 . 1 . . . . . . . . 4493 1 769 . 1 1 64 64 GLU HG3 H 1 2.146 0.010 . 1 . . . . . . . . 4493 1 770 . 1 1 65 65 SER N N 15 115.81 0.00 . 1 . . . . . . . . 4493 1 771 . 1 1 65 65 SER H H 1 7.944 0.001 . 1 . . . . . . . . 4493 1 772 . 1 1 65 65 SER CA C 13 61.11 0.06 . 1 . . . . . . . . 4493 1 773 . 1 1 65 65 SER HA H 1 4.605 0.002 . 1 . . . . . . . . 4493 1 774 . 1 1 65 65 SER CB C 13 64.66 0.04 . 1 . . . . . . . . 4493 1 775 . 1 1 65 65 SER HB2 H 1 3.970 0.004 . 1 . . . . . . . . 4493 1 776 . 1 1 65 65 SER HB3 H 1 3.689 0.008 . 1 . . . . . . . . 4493 1 777 . 1 1 66 66 THR N N 15 117.95 0.00 . 1 . . . . . . . . 4493 1 778 . 1 1 66 66 THR H H 1 8.785 0.001 . 1 . . . . . . . . 4493 1 779 . 1 1 66 66 THR CA C 13 62.77 0.05 . 1 . . . . . . . . 4493 1 780 . 1 1 66 66 THR HA H 1 5.331 0.006 . 1 . . . . . . . . 4493 1 781 . 1 1 66 66 THR CB C 13 69.89 0.07 . 1 . . . . . . . . 4493 1 782 . 1 1 66 66 THR HB H 1 4.126 0.005 . 1 . . . . . . . . 4493 1 783 . 1 1 66 66 THR CG2 C 13 21.46 0.01 . 1 . . . . . . . . 4493 1 784 . 1 1 66 66 THR HG21 H 1 0.934 0.000 . 1 . . . . . . . . 4493 1 785 . 1 1 66 66 THR HG22 H 1 0.934 0.000 . 1 . . . . . . . . 4493 1 786 . 1 1 66 66 THR HG23 H 1 0.934 0.000 . 1 . . . . . . . . 4493 1 787 . 1 1 67 67 ILE N N 15 129.51 0.00 . 1 . . . . . . . . 4493 1 788 . 1 1 67 67 ILE H H 1 9.437 0.001 . 1 . . . . . . . . 4493 1 789 . 1 1 67 67 ILE CA C 13 60.44 0.05 . 1 . . . . . . . . 4493 1 790 . 1 1 67 67 ILE HA H 1 4.708 0.000 . 1 . . . . . . . . 4493 1 791 . 1 1 67 67 ILE CB C 13 40.95 0.05 . 1 . . . . . . . . 4493 1 792 . 1 1 67 67 ILE HB H 1 1.852 0.007 . 1 . . . . . . . . 4493 1 793 . 1 1 67 67 ILE CG1 C 13 30.64 0.03 . 1 . . . . . . . . 4493 1 794 . 1 1 67 67 ILE HG12 H 1 1.488 0.007 . 1 . . . . . . . . 4493 1 795 . 1 1 67 67 ILE HG13 H 1 1.179 0.007 . 1 . . . . . . . . 4493 1 796 . 1 1 67 67 ILE CG2 C 13 20.75 0.05 . 1 . . . . . . . . 4493 1 797 . 1 1 67 67 ILE HG21 H 1 0.973 0.006 . 1 . . . . . . . . 4493 1 798 . 1 1 67 67 ILE HG22 H 1 0.973 0.006 . 1 . . . . . . . . 4493 1 799 . 1 1 67 67 ILE HG23 H 1 0.973 0.006 . 1 . . . . . . . . 4493 1 800 . 1 1 67 67 ILE CD1 C 13 15.08 0.04 . 1 . . . . . . . . 4493 1 801 . 1 1 67 67 ILE HD11 H 1 0.697 0.006 . 1 . . . . . . . . 4493 1 802 . 1 1 67 67 ILE HD12 H 1 0.697 0.006 . 1 . . . . . . . . 4493 1 803 . 1 1 67 67 ILE HD13 H 1 0.697 0.006 . 1 . . . . . . . . 4493 1 804 . 1 1 68 68 HIS N N 15 126.01 0.00 . 1 . . . . . . . . 4493 1 805 . 1 1 68 68 HIS H H 1 9.350 0.001 . 1 . . . . . . . . 4493 1 806 . 1 1 68 68 HIS CA C 13 56.14 0.05 . 1 . . . . . . . . 4493 1 807 . 1 1 68 68 HIS HA H 1 4.997 0.005 . 1 . . . . . . . . 4493 1 808 . 1 1 68 68 HIS CB C 13 31.69 0.07 . 1 . . . . . . . . 4493 1 809 . 1 1 68 68 HIS CD2 C 13 119.42 0.05 . 1 . . . . . . . . 4493 1 810 . 1 1 68 68 HIS HD2 H 1 7.066 0.007 . 1 . . . . . . . . 4493 1 811 . 1 1 68 68 HIS CE1 C 13 137.56 0.00 . 1 . . . . . . . . 4493 1 812 . 1 1 68 68 HIS HE1 H 1 7.944 0.000 . 1 . . . . . . . . 4493 1 813 . 1 1 68 68 HIS HB2 H 1 3.091 0.008 . 1 . . . . . . . . 4493 1 814 . 1 1 68 68 HIS HB3 H 1 3.091 0.008 . 1 . . . . . . . . 4493 1 815 . 1 1 69 69 LEU N N 15 124.61 0.00 . 1 . . . . . . . . 4493 1 816 . 1 1 69 69 LEU H H 1 8.267 0.001 . 1 . . . . . . . . 4493 1 817 . 1 1 69 69 LEU CA C 13 54.13 0.08 . 1 . . . . . . . . 4493 1 818 . 1 1 69 69 LEU HA H 1 5.075 0.004 . 1 . . . . . . . . 4493 1 819 . 1 1 69 69 LEU CB C 13 43.80 0.05 . 1 . . . . . . . . 4493 1 820 . 1 1 69 69 LEU HB2 H 1 1.829 0.008 . 1 . . . . . . . . 4493 1 821 . 1 1 69 69 LEU HB3 H 1 1.254 0.004 . 1 . . . . . . . . 4493 1 822 . 1 1 69 69 LEU CG C 13 27.75 0.07 . 1 . . . . . . . . 4493 1 823 . 1 1 69 69 LEU HG H 1 1.418 0.004 . 1 . . . . . . . . 4493 1 824 . 1 1 69 69 LEU CD1 C 13 24.33 0.04 . 1 . . . . . . . . 4493 1 825 . 1 1 69 69 LEU HD11 H 1 0.844 0.006 . 2 . . . . . . . . 4493 1 826 . 1 1 69 69 LEU HD12 H 1 0.844 0.006 . 2 . . . . . . . . 4493 1 827 . 1 1 69 69 LEU HD13 H 1 0.844 0.006 . 2 . . . . . . . . 4493 1 828 . 1 1 69 69 LEU CD2 C 13 26.35 0.05 . 1 . . . . . . . . 4493 1 829 . 1 1 69 69 LEU HD21 H 1 0.789 0.006 . 2 . . . . . . . . 4493 1 830 . 1 1 69 69 LEU HD22 H 1 0.789 0.006 . 2 . . . . . . . . 4493 1 831 . 1 1 69 69 LEU HD23 H 1 0.789 0.006 . 2 . . . . . . . . 4493 1 832 . 1 1 70 70 VAL N N 15 125.70 0.00 . 1 . . . . . . . . 4493 1 833 . 1 1 70 70 VAL H H 1 9.129 0.002 . 1 . . . . . . . . 4493 1 834 . 1 1 70 70 VAL CA C 13 60.37 0.07 . 1 . . . . . . . . 4493 1 835 . 1 1 70 70 VAL HA H 1 4.386 0.005 . 1 . . . . . . . . 4493 1 836 . 1 1 70 70 VAL CB C 13 34.77 0.02 . 1 . . . . . . . . 4493 1 837 . 1 1 70 70 VAL HB H 1 2.077 0.005 . 1 . . . . . . . . 4493 1 838 . 1 1 70 70 VAL CG1 C 13 21.49 0.01 . 1 . . . . . . . . 4493 1 839 . 1 1 70 70 VAL HG11 H 1 0.926 0.002 . 2 . . . . . . . . 4493 1 840 . 1 1 70 70 VAL HG12 H 1 0.926 0.002 . 2 . . . . . . . . 4493 1 841 . 1 1 70 70 VAL HG13 H 1 0.926 0.002 . 2 . . . . . . . . 4493 1 842 . 1 1 70 70 VAL CG2 C 13 20.48 0.04 . 1 . . . . . . . . 4493 1 843 . 1 1 70 70 VAL HG21 H 1 0.808 0.003 . 2 . . . . . . . . 4493 1 844 . 1 1 70 70 VAL HG22 H 1 0.808 0.003 . 2 . . . . . . . . 4493 1 845 . 1 1 70 70 VAL HG23 H 1 0.808 0.003 . 2 . . . . . . . . 4493 1 846 . 1 1 71 71 LEU N N 15 123.02 0.00 . 1 . . . . . . . . 4493 1 847 . 1 1 71 71 LEU H H 1 8.105 0.001 . 1 . . . . . . . . 4493 1 848 . 1 1 71 71 LEU CA C 13 54.53 0.04 . 1 . . . . . . . . 4493 1 849 . 1 1 71 71 LEU HA H 1 4.767 0.003 . 1 . . . . . . . . 4493 1 850 . 1 1 71 71 LEU CB C 13 42.97 0.01 . 1 . . . . . . . . 4493 1 851 . 1 1 71 71 LEU CG C 13 27.24 0.00 . 1 . . . . . . . . 4493 1 852 . 1 1 71 71 LEU HG H 1 1.643 0.002 . 1 . . . . . . . . 4493 1 853 . 1 1 71 71 LEU CD1 C 13 24.88 0.05 . 1 . . . . . . . . 4493 1 854 . 1 1 71 71 LEU HD11 H 1 0.976 0.005 . 2 . . . . . . . . 4493 1 855 . 1 1 71 71 LEU HD12 H 1 0.976 0.005 . 2 . . . . . . . . 4493 1 856 . 1 1 71 71 LEU HD13 H 1 0.976 0.005 . 2 . . . . . . . . 4493 1 857 . 1 1 71 71 LEU CD2 C 13 24.16 0.06 . 1 . . . . . . . . 4493 1 858 . 1 1 71 71 LEU HD21 H 1 0.897 0.003 . 2 . . . . . . . . 4493 1 859 . 1 1 71 71 LEU HD22 H 1 0.897 0.003 . 2 . . . . . . . . 4493 1 860 . 1 1 71 71 LEU HD23 H 1 0.897 0.003 . 2 . . . . . . . . 4493 1 861 . 1 1 71 71 LEU HB2 H 1 1.592 0.004 . 1 . . . . . . . . 4493 1 862 . 1 1 71 71 LEU HB3 H 1 1.592 0.004 . 1 . . . . . . . . 4493 1 863 . 1 1 72 72 ARG N N 15 124.28 0.00 . 1 . . . . . . . . 4493 1 864 . 1 1 72 72 ARG H H 1 8.521 0.002 . 1 . . . . . . . . 4493 1 865 . 1 1 72 72 ARG CA C 13 55.88 0.05 . 1 . . . . . . . . 4493 1 866 . 1 1 72 72 ARG HA H 1 4.216 0.004 . 1 . . . . . . . . 4493 1 867 . 1 1 72 72 ARG CB C 13 31.24 0.03 . 1 . . . . . . . . 4493 1 868 . 1 1 72 72 ARG HB2 H 1 1.738 0.005 . 1 . . . . . . . . 4493 1 869 . 1 1 72 72 ARG HB3 H 1 1.505 0.006 . 1 . . . . . . . . 4493 1 870 . 1 1 72 72 ARG CG C 13 27.26 0.02 . 1 . . . . . . . . 4493 1 871 . 1 1 72 72 ARG CD C 13 43.54 0.05 . 1 . . . . . . . . 4493 1 872 . 1 1 72 72 ARG NE N 15 84.31 0.01 . 1 . . . . . . . . 4493 1 873 . 1 1 72 72 ARG HE H 1 7.095 0.001 . 1 . . . . . . . . 4493 1 874 . 1 1 72 72 ARG HG2 H 1 1.500 0.011 . 1 . . . . . . . . 4493 1 875 . 1 1 72 72 ARG HG3 H 1 1.500 0.011 . 1 . . . . . . . . 4493 1 876 . 1 1 72 72 ARG HD2 H 1 3.127 0.002 . 1 . . . . . . . . 4493 1 877 . 1 1 72 72 ARG HD3 H 1 3.127 0.002 . 1 . . . . . . . . 4493 1 878 . 1 1 73 73 LEU N N 15 124.81 0.00 . 1 . . . . . . . . 4493 1 879 . 1 1 73 73 LEU H H 1 8.339 0.003 . 1 . . . . . . . . 4493 1 880 . 1 1 73 73 LEU CA C 13 54.75 0.03 . 1 . . . . . . . . 4493 1 881 . 1 1 73 73 LEU HA H 1 4.387 0.005 . 1 . . . . . . . . 4493 1 882 . 1 1 73 73 LEU CB C 13 42.48 0.02 . 1 . . . . . . . . 4493 1 883 . 1 1 73 73 LEU HB2 H 1 1.640 0.008 . 1 . . . . . . . . 4493 1 884 . 1 1 73 73 LEU HB3 H 1 1.565 0.005 . 1 . . . . . . . . 4493 1 885 . 1 1 73 73 LEU CG C 13 27.06 0.00 . 1 . . . . . . . . 4493 1 886 . 1 1 73 73 LEU HG H 1 1.607 0.004 . 1 . . . . . . . . 4493 1 887 . 1 1 73 73 LEU CD1 C 13 24.96 0.03 . 1 . . . . . . . . 4493 1 888 . 1 1 73 73 LEU HD11 H 1 0.921 0.003 . 2 . . . . . . . . 4493 1 889 . 1 1 73 73 LEU HD12 H 1 0.921 0.003 . 2 . . . . . . . . 4493 1 890 . 1 1 73 73 LEU HD13 H 1 0.921 0.003 . 2 . . . . . . . . 4493 1 891 . 1 1 73 73 LEU CD2 C 13 23.28 0.03 . 1 . . . . . . . . 4493 1 892 . 1 1 73 73 LEU HD21 H 1 0.870 0.003 . 2 . . . . . . . . 4493 1 893 . 1 1 73 73 LEU HD22 H 1 0.870 0.003 . 2 . . . . . . . . 4493 1 894 . 1 1 73 73 LEU HD23 H 1 0.870 0.003 . 2 . . . . . . . . 4493 1 895 . 1 1 74 74 ARG N N 15 122.11 0.00 . 1 . . . . . . . . 4493 1 896 . 1 1 74 74 ARG H H 1 8.441 0.001 . 1 . . . . . . . . 4493 1 897 . 1 1 74 74 ARG CA C 13 56.56 0.06 . 1 . . . . . . . . 4493 1 898 . 1 1 74 74 ARG HA H 1 4.291 0.004 . 1 . . . . . . . . 4493 1 899 . 1 1 74 74 ARG CB C 13 30.65 0.02 . 1 . . . . . . . . 4493 1 900 . 1 1 74 74 ARG HB2 H 1 1.867 0.005 . 1 . . . . . . . . 4493 1 901 . 1 1 74 74 ARG HB3 H 1 1.788 0.003 . 1 . . . . . . . . 4493 1 902 . 1 1 74 74 ARG CG C 13 27.07 0.02 . 1 . . . . . . . . 4493 1 903 . 1 1 74 74 ARG CD C 13 43.33 0.03 . 1 . . . . . . . . 4493 1 904 . 1 1 74 74 ARG NE N 15 84.69 0.01 . 1 . . . . . . . . 4493 1 905 . 1 1 74 74 ARG HE H 1 7.259 0.001 . 1 . . . . . . . . 4493 1 906 . 1 1 74 74 ARG HG2 H 1 1.658 0.009 . 1 . . . . . . . . 4493 1 907 . 1 1 74 74 ARG HG3 H 1 1.658 0.009 . 1 . . . . . . . . 4493 1 908 . 1 1 74 74 ARG HD2 H 1 3.208 0.006 . 1 . . . . . . . . 4493 1 909 . 1 1 74 74 ARG HD3 H 1 3.208 0.006 . 1 . . . . . . . . 4493 1 910 . 1 1 75 75 GLY N N 15 111.12 0.00 . 1 . . . . . . . . 4493 1 911 . 1 1 75 75 GLY H H 1 8.483 0.001 . 1 . . . . . . . . 4493 1 912 . 1 1 75 75 GLY CA C 13 45.26 0.05 . 1 . . . . . . . . 4493 1 913 . 1 1 75 75 GLY HA2 H 1 3.962 0.002 . 1 . . . . . . . . 4493 1 914 . 1 1 75 75 GLY HA3 H 1 3.962 0.002 . 1 . . . . . . . . 4493 1 915 . 1 1 76 76 GLY N N 15 115.17 0.01 . 1 . . . . . . . . 4493 1 916 . 1 1 76 76 GLY H H 1 7.943 0.001 . 1 . . . . . . . . 4493 1 917 . 1 1 76 76 GLY CA C 13 46.00 0.03 . 1 . . . . . . . . 4493 1 918 . 1 1 76 76 GLY HA2 H 1 3.817 0.007 . 2 . . . . . . . . 4493 1 919 . 1 1 76 76 GLY HA3 H 1 3.730 0.007 . 2 . . . . . . . . 4493 1 stop_ save_