data_18678 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18678 _Entry.Title ; NMR structure of the N-terminal RNA Binding domain 1 (RRM1) of the protein RBM10 from Homo sapiens ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-08-27 _Entry.Accession_date 2012-08-27 _Entry.Last_release_date 2012-09-17 _Entry.Original_release_date 2012-09-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Pedro Serrano . . . 18678 2 Michael Geralt . . . 18678 3 Samit Dutta . . . 18678 4 Kurt Wuthrich . . . 18678 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'Joint Center for Structural Genomics' . 18678 2 PSI:Biology 'Partnership for T-Cell Biology' . 18678 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RNA binding' . 18678 RRM . 18678 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18678 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 368 18678 '15N chemical shifts' 101 18678 '1H chemical shifts' 627 18678 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 . . 2012-09-17 2012-08-27 original author . 18678 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LXI 'BMRB Entry Tracking System' 18678 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18678 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the N-terminal RNA Binding domain 1 (RRM1) of the protein RBM10 from Homo sapiens' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _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 Pedro Serrano . . . 18678 1 2 Kurt Wuthrich . . . 18678 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18678 _Assembly.ID 1 _Assembly.Name RRM1-RBM10 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RRM1-RBM10 1 $RRM1-RBM10 A . yes native no no . . . 18678 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RRM1-RBM10 _Entity.Sf_category entity _Entity.Sf_framecode RRM1-RBM10 _Entity.Entry_ID 18678 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SNIVMLRMLPQAATEDDIRG QLQSHGVQAREVRLMRNKSS GQSRGFAFVEFSHLQDATRW MEANQHSLNILGQKVSMHYS DPKPKINEDWL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10479.927 _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 2LXI . "Nmr Structure Of The N-terminal Rna Binding Domain 1 (rrm1) Of The Protein Rbm10 From Homo Sapiens" . . . . . 100.00 91 100.00 100.00 3.26e-60 . . . . 18678 1 2 no DBJ BAC65490 . "mKIAA0122 protein [Mus musculus]" . . . . . 82.42 857 98.67 100.00 1.14e-43 . . . . 18678 1 3 no GB EHB02419 . "RNA-binding protein 10, partial [Heterocephalus glaber]" . . . . . 100.00 936 100.00 100.00 6.27e-56 . . . . 18678 1 4 no GB ERE65732 . "RNA-binding protein 10 isoform 2 [Cricetulus griseus]" . . . . . 100.00 696 100.00 100.00 1.94e-56 . . . . 18678 1 5 no REF XP_010993528 . "PREDICTED: RNA-binding protein 10-like [Camelus dromedarius]" . . . . . 95.60 513 100.00 100.00 4.30e-54 . . . . 18678 1 6 no REF XP_012354033 . "PREDICTED: RNA-binding protein 10 [Nomascus leucogenys]" . . . . . 100.00 850 100.00 100.00 3.76e-56 . . . . 18678 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 . SER . 18678 1 2 . ASN . 18678 1 3 . ILE . 18678 1 4 . VAL . 18678 1 5 . MET . 18678 1 6 . LEU . 18678 1 7 . ARG . 18678 1 8 . MET . 18678 1 9 . LEU . 18678 1 10 . PRO . 18678 1 11 . GLN . 18678 1 12 . ALA . 18678 1 13 . ALA . 18678 1 14 . THR . 18678 1 15 . GLU . 18678 1 16 . ASP . 18678 1 17 . ASP . 18678 1 18 . ILE . 18678 1 19 . ARG . 18678 1 20 . GLY . 18678 1 21 . GLN . 18678 1 22 . LEU . 18678 1 23 . GLN . 18678 1 24 . SER . 18678 1 25 . HIS . 18678 1 26 . GLY . 18678 1 27 . VAL . 18678 1 28 . GLN . 18678 1 29 . ALA . 18678 1 30 . ARG . 18678 1 31 . GLU . 18678 1 32 . VAL . 18678 1 33 . ARG . 18678 1 34 . LEU . 18678 1 35 . MET . 18678 1 36 . ARG . 18678 1 37 . ASN . 18678 1 38 . LYS . 18678 1 39 . SER . 18678 1 40 . SER . 18678 1 41 . GLY . 18678 1 42 . GLN . 18678 1 43 . SER . 18678 1 44 . ARG . 18678 1 45 . GLY . 18678 1 46 . PHE . 18678 1 47 . ALA . 18678 1 48 . PHE . 18678 1 49 . VAL . 18678 1 50 . GLU . 18678 1 51 . PHE . 18678 1 52 . SER . 18678 1 53 . HIS . 18678 1 54 . LEU . 18678 1 55 . GLN . 18678 1 56 . ASP . 18678 1 57 . ALA . 18678 1 58 . THR . 18678 1 59 . ARG . 18678 1 60 . TRP . 18678 1 61 . MET . 18678 1 62 . GLU . 18678 1 63 . ALA . 18678 1 64 . ASN . 18678 1 65 . GLN . 18678 1 66 . HIS . 18678 1 67 . SER . 18678 1 68 . LEU . 18678 1 69 . ASN . 18678 1 70 . ILE . 18678 1 71 . LEU . 18678 1 72 . GLY . 18678 1 73 . GLN . 18678 1 74 . LYS . 18678 1 75 . VAL . 18678 1 76 . SER . 18678 1 77 . MET . 18678 1 78 . HIS . 18678 1 79 . TYR . 18678 1 80 . SER . 18678 1 81 . ASP . 18678 1 82 . PRO . 18678 1 83 . LYS . 18678 1 84 . PRO . 18678 1 85 . LYS . 18678 1 86 . ILE . 18678 1 87 . ASN . 18678 1 88 . GLU . 18678 1 89 . ASP . 18678 1 90 . TRP . 18678 1 91 . LEU . 18678 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 . SER 1 1 18678 1 . ASN 2 2 18678 1 . ILE 3 3 18678 1 . VAL 4 4 18678 1 . MET 5 5 18678 1 . LEU 6 6 18678 1 . ARG 7 7 18678 1 . MET 8 8 18678 1 . LEU 9 9 18678 1 . PRO 10 10 18678 1 . GLN 11 11 18678 1 . ALA 12 12 18678 1 . ALA 13 13 18678 1 . THR 14 14 18678 1 . GLU 15 15 18678 1 . ASP 16 16 18678 1 . ASP 17 17 18678 1 . ILE 18 18 18678 1 . ARG 19 19 18678 1 . GLY 20 20 18678 1 . GLN 21 21 18678 1 . LEU 22 22 18678 1 . GLN 23 23 18678 1 . SER 24 24 18678 1 . HIS 25 25 18678 1 . GLY 26 26 18678 1 . VAL 27 27 18678 1 . GLN 28 28 18678 1 . ALA 29 29 18678 1 . ARG 30 30 18678 1 . GLU 31 31 18678 1 . VAL 32 32 18678 1 . ARG 33 33 18678 1 . LEU 34 34 18678 1 . MET 35 35 18678 1 . ARG 36 36 18678 1 . ASN 37 37 18678 1 . LYS 38 38 18678 1 . SER 39 39 18678 1 . SER 40 40 18678 1 . GLY 41 41 18678 1 . GLN 42 42 18678 1 . SER 43 43 18678 1 . ARG 44 44 18678 1 . GLY 45 45 18678 1 . PHE 46 46 18678 1 . ALA 47 47 18678 1 . PHE 48 48 18678 1 . VAL 49 49 18678 1 . GLU 50 50 18678 1 . PHE 51 51 18678 1 . SER 52 52 18678 1 . HIS 53 53 18678 1 . LEU 54 54 18678 1 . GLN 55 55 18678 1 . ASP 56 56 18678 1 . ALA 57 57 18678 1 . THR 58 58 18678 1 . ARG 59 59 18678 1 . TRP 60 60 18678 1 . MET 61 61 18678 1 . GLU 62 62 18678 1 . ALA 63 63 18678 1 . ASN 64 64 18678 1 . GLN 65 65 18678 1 . HIS 66 66 18678 1 . SER 67 67 18678 1 . LEU 68 68 18678 1 . ASN 69 69 18678 1 . ILE 70 70 18678 1 . LEU 71 71 18678 1 . GLY 72 72 18678 1 . GLN 73 73 18678 1 . LYS 74 74 18678 1 . VAL 75 75 18678 1 . SER 76 76 18678 1 . MET 77 77 18678 1 . HIS 78 78 18678 1 . TYR 79 79 18678 1 . SER 80 80 18678 1 . ASP 81 81 18678 1 . PRO 82 82 18678 1 . LYS 83 83 18678 1 . PRO 84 84 18678 1 . LYS 85 85 18678 1 . ILE 86 86 18678 1 . ASN 87 87 18678 1 . GLU 88 88 18678 1 . ASP 89 89 18678 1 . TRP 90 90 18678 1 . LEU 91 91 18678 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 18678 _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 $RRM1-RBM10 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18678 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 18678 _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 $RRM1-RBM10 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pSpeedET . . . . . . 18678 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18678 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RRM1-RBM10 '[U-98% 13C; U-98% 15N]' . . 1 $RRM1-RBM10 . . 1.2 . . mM . . . . 18678 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18678 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18678 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 18678 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18678 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18678 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18678 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.220 . M 18678 1 pH 6.5 . pH 18678 1 pressure 1 . atm 18678 1 temperature 298 . K 18678 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18678 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G??ntert P.' . . 18678 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18678 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18678 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18678 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18678 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18678 1 2 spectrometer_2 Bruker Avance . 800 . . . 18678 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 18678 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18678 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18678 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18678 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18678 1 5 'APSY 4D-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18678 1 6 'APSY 5D-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18678 1 7 'APSY 5D-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18678 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18678 _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 0.00 na indirect 0.251449530 . . . . . . . . . 18678 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18678 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18678 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18678 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 '2D 1H-15N HSQC' . . . 18678 1 2 '3D 1H-13C NOESY aliphatic' . . . 18678 1 3 '3D 1H-13C NOESY aromatic' . . . 18678 1 4 '3D 1H-15N NOESY' . . . 18678 1 5 'APSY 4D-HACANH' . . . 18678 1 6 'APSY 5D-CBCACONH' . . . 18678 1 7 'APSY 5D-HACACONH' . . . 18678 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 SER HB2 H 1 3.907 0.008 . 2 . . . A 1 SER HB2 . 18678 1 2 . 1 1 1 1 SER HB3 H 1 4.072 0.008 . 2 . . . A 1 SER HB3 . 18678 1 3 . 1 1 1 1 SER CB C 13 65.353 0.18 . 1 . . . A 1 SER CB . 18678 1 4 . 1 1 2 2 ASN H H 1 8.371 0.008 . 1 . . . A 2 ASN H . 18678 1 5 . 1 1 2 2 ASN HA H 1 4.732 0.008 . 1 . . . A 2 ASN HA . 18678 1 6 . 1 1 2 2 ASN HB2 H 1 2.560 0.008 . 2 . . . A 2 ASN HB2 . 18678 1 7 . 1 1 2 2 ASN HB3 H 1 3.208 0.008 . 2 . . . A 2 ASN HB3 . 18678 1 8 . 1 1 2 2 ASN HD21 H 1 7.126 0.008 . 2 . . . A 2 ASN HD21 . 18678 1 9 . 1 1 2 2 ASN HD22 H 1 7.754 0.008 . 2 . . . A 2 ASN HD22 . 18678 1 10 . 1 1 2 2 ASN CA C 13 54.037 0.18 . 1 . . . A 2 ASN CA . 18678 1 11 . 1 1 2 2 ASN CB C 13 36.851 0.18 . 1 . . . A 2 ASN CB . 18678 1 12 . 1 1 2 2 ASN N N 15 114.260 0.12 . 1 . . . A 2 ASN N . 18678 1 13 . 1 1 2 2 ASN ND2 N 15 112.909 0.12 . 1 . . . A 2 ASN ND2 . 18678 1 14 . 1 1 3 3 ILE H H 1 8.684 0.008 . 1 . . . A 3 ILE H . 18678 1 15 . 1 1 3 3 ILE HA H 1 5.154 0.008 . 1 . . . A 3 ILE HA . 18678 1 16 . 1 1 3 3 ILE HB H 1 2.023 0.008 . 1 . . . A 3 ILE HB . 18678 1 17 . 1 1 3 3 ILE HG12 H 1 1.687 0.008 . 2 . . . A 3 ILE HG12 . 18678 1 18 . 1 1 3 3 ILE HG13 H 1 0.945 0.008 . 2 . . . A 3 ILE HG13 . 18678 1 19 . 1 1 3 3 ILE HG21 H 1 0.980 0.008 . 1 . . . A 3 ILE MG . 18678 1 20 . 1 1 3 3 ILE HG22 H 1 0.980 0.008 . 1 . . . A 3 ILE MG . 18678 1 21 . 1 1 3 3 ILE HG23 H 1 0.980 0.008 . 1 . . . A 3 ILE MG . 18678 1 22 . 1 1 3 3 ILE HD11 H 1 0.844 0.008 . 1 . . . A 3 ILE MD . 18678 1 23 . 1 1 3 3 ILE HD12 H 1 0.844 0.008 . 1 . . . A 3 ILE MD . 18678 1 24 . 1 1 3 3 ILE HD13 H 1 0.844 0.008 . 1 . . . A 3 ILE MD . 18678 1 25 . 1 1 3 3 ILE C C 13 175.062 0.18 . 1 . . . A 3 ILE C . 18678 1 26 . 1 1 3 3 ILE CA C 13 60.507 0.18 . 1 . . . A 3 ILE CA . 18678 1 27 . 1 1 3 3 ILE CB C 13 39.122 0.18 . 1 . . . A 3 ILE CB . 18678 1 28 . 1 1 3 3 ILE CG1 C 13 27.798 0.18 . 1 . . . A 3 ILE CG1 . 18678 1 29 . 1 1 3 3 ILE CG2 C 13 18.777 0.18 . 1 . . . A 3 ILE CG2 . 18678 1 30 . 1 1 3 3 ILE CD1 C 13 13.606 0.18 . 1 . . . A 3 ILE CD1 . 18678 1 31 . 1 1 3 3 ILE N N 15 120.709 0.12 . 1 . . . A 3 ILE N . 18678 1 32 . 1 1 4 4 VAL H H 1 9.484 0.008 . 1 . . . A 4 VAL H . 18678 1 33 . 1 1 4 4 VAL HA H 1 4.799 0.008 . 1 . . . A 4 VAL HA . 18678 1 34 . 1 1 4 4 VAL HB H 1 2.398 0.008 . 1 . . . A 4 VAL HB . 18678 1 35 . 1 1 4 4 VAL HG11 H 1 1.274 0.008 . 2 . . . A 4 VAL MG1 . 18678 1 36 . 1 1 4 4 VAL HG12 H 1 1.274 0.008 . 2 . . . A 4 VAL MG1 . 18678 1 37 . 1 1 4 4 VAL HG13 H 1 1.274 0.008 . 2 . . . A 4 VAL MG1 . 18678 1 38 . 1 1 4 4 VAL HG21 H 1 1.000 0.008 . 2 . . . A 4 VAL MG2 . 18678 1 39 . 1 1 4 4 VAL HG22 H 1 1.000 0.008 . 2 . . . A 4 VAL MG2 . 18678 1 40 . 1 1 4 4 VAL HG23 H 1 1.000 0.008 . 2 . . . A 4 VAL MG2 . 18678 1 41 . 1 1 4 4 VAL C C 13 175.169 0.18 . 1 . . . A 4 VAL C . 18678 1 42 . 1 1 4 4 VAL CA C 13 60.526 0.18 . 1 . . . A 4 VAL CA . 18678 1 43 . 1 1 4 4 VAL CB C 13 35.363 0.18 . 1 . . . A 4 VAL CB . 18678 1 44 . 1 1 4 4 VAL CG1 C 13 22.158 0.18 . 2 . . . A 4 VAL CG1 . 18678 1 45 . 1 1 4 4 VAL CG2 C 13 21.699 0.18 . 2 . . . A 4 VAL CG2 . 18678 1 46 . 1 1 4 4 VAL N N 15 127.219 0.12 . 1 . . . A 4 VAL N . 18678 1 47 . 1 1 5 5 MET H H 1 9.974 0.008 . 1 . . . A 5 MET H . 18678 1 48 . 1 1 5 5 MET HA H 1 5.259 0.008 . 1 . . . A 5 MET HA . 18678 1 49 . 1 1 5 5 MET HB2 H 1 1.922 0.008 . 2 . . . A 5 MET HB2 . 18678 1 50 . 1 1 5 5 MET HB3 H 1 1.922 0.008 . 2 . . . A 5 MET HB3 . 18678 1 51 . 1 1 5 5 MET HG2 H 1 2.148 0.008 . 2 . . . A 5 MET HG2 . 18678 1 52 . 1 1 5 5 MET HG3 H 1 1.915 0.008 . 2 . . . A 5 MET HG3 . 18678 1 53 . 1 1 5 5 MET HE1 H 1 1.706 0.008 . 1 . . . A 5 MET ME . 18678 1 54 . 1 1 5 5 MET HE2 H 1 1.706 0.008 . 1 . . . A 5 MET ME . 18678 1 55 . 1 1 5 5 MET HE3 H 1 1.706 0.008 . 1 . . . A 5 MET ME . 18678 1 56 . 1 1 5 5 MET C C 13 175.079 0.18 . 1 . . . A 5 MET C . 18678 1 57 . 1 1 5 5 MET CA C 13 53.419 0.18 . 1 . . . A 5 MET CA . 18678 1 58 . 1 1 5 5 MET CB C 13 35.754 0.18 . 1 . . . A 5 MET CB . 18678 1 59 . 1 1 5 5 MET CG C 13 31.528 0.18 . 1 . . . A 5 MET CG . 18678 1 60 . 1 1 5 5 MET CE C 13 17.241 0.18 . 1 . . . A 5 MET CE . 18678 1 61 . 1 1 5 5 MET N N 15 127.666 0.12 . 1 . . . A 5 MET N . 18678 1 62 . 1 1 6 6 LEU H H 1 9.074 0.008 . 1 . . . A 6 LEU H . 18678 1 63 . 1 1 6 6 LEU HA H 1 5.467 0.008 . 1 . . . A 6 LEU HA . 18678 1 64 . 1 1 6 6 LEU HB2 H 1 1.584 0.008 . 2 . . . A 6 LEU HB2 . 18678 1 65 . 1 1 6 6 LEU HB3 H 1 1.222 0.008 . 2 . . . A 6 LEU HB3 . 18678 1 66 . 1 1 6 6 LEU HG H 1 1.709 0.008 . 1 . . . A 6 LEU HG . 18678 1 67 . 1 1 6 6 LEU HD11 H 1 0.883 0.008 . 2 . . . A 6 LEU MD1 . 18678 1 68 . 1 1 6 6 LEU HD12 H 1 0.883 0.008 . 2 . . . A 6 LEU MD1 . 18678 1 69 . 1 1 6 6 LEU HD13 H 1 0.883 0.008 . 2 . . . A 6 LEU MD1 . 18678 1 70 . 1 1 6 6 LEU HD21 H 1 0.788 0.008 . 2 . . . A 6 LEU MD2 . 18678 1 71 . 1 1 6 6 LEU HD22 H 1 0.788 0.008 . 2 . . . A 6 LEU MD2 . 18678 1 72 . 1 1 6 6 LEU HD23 H 1 0.788 0.008 . 2 . . . A 6 LEU MD2 . 18678 1 73 . 1 1 6 6 LEU C C 13 176.500 0.18 . 1 . . . A 6 LEU C . 18678 1 74 . 1 1 6 6 LEU CA C 13 52.106 0.18 . 1 . . . A 6 LEU CA . 18678 1 75 . 1 1 6 6 LEU CB C 13 43.147 0.18 . 1 . . . A 6 LEU CB . 18678 1 76 . 1 1 6 6 LEU CG C 13 27.166 0.18 . 1 . . . A 6 LEU CG . 18678 1 77 . 1 1 6 6 LEU CD1 C 13 26.109 0.18 . 2 . . . A 6 LEU CD1 . 18678 1 78 . 1 1 6 6 LEU CD2 C 13 24.701 0.18 . 2 . . . A 6 LEU CD2 . 18678 1 79 . 1 1 6 6 LEU N N 15 126.088 0.12 . 1 . . . A 6 LEU N . 18678 1 80 . 1 1 7 7 ARG H H 1 8.600 0.008 . 1 . . . A 7 ARG H . 18678 1 81 . 1 1 7 7 ARG HA H 1 4.911 0.008 . 1 . . . A 7 ARG HA . 18678 1 82 . 1 1 7 7 ARG HB2 H 1 1.876 0.008 . 2 . . . A 7 ARG HB2 . 18678 1 83 . 1 1 7 7 ARG HB3 H 1 1.876 0.008 . 2 . . . A 7 ARG HB3 . 18678 1 84 . 1 1 7 7 ARG HG2 H 1 1.427 0.008 . 2 . . . A 7 ARG HG2 . 18678 1 85 . 1 1 7 7 ARG HG3 H 1 1.427 0.008 . 2 . . . A 7 ARG HG3 . 18678 1 86 . 1 1 7 7 ARG HD2 H 1 2.767 0.008 . 2 . . . A 7 ARG HD2 . 18678 1 87 . 1 1 7 7 ARG HD3 H 1 2.842 0.008 . 2 . . . A 7 ARG HD3 . 18678 1 88 . 1 1 7 7 ARG C C 13 174.863 0.18 . 1 . . . A 7 ARG C . 18678 1 89 . 1 1 7 7 ARG CA C 13 54.612 0.18 . 1 . . . A 7 ARG CA . 18678 1 90 . 1 1 7 7 ARG CB C 13 33.847 0.18 . 1 . . . A 7 ARG CB . 18678 1 91 . 1 1 7 7 ARG CG C 13 28.380 0.18 . 1 . . . A 7 ARG CG . 18678 1 92 . 1 1 7 7 ARG CD C 13 43.208 0.18 . 1 . . . A 7 ARG CD . 18678 1 93 . 1 1 7 7 ARG N N 15 119.197 0.12 . 1 . . . A 7 ARG N . 18678 1 94 . 1 1 8 8 MET H H 1 8.430 0.008 . 1 . . . A 8 MET H . 18678 1 95 . 1 1 8 8 MET HA H 1 4.057 0.008 . 1 . . . A 8 MET HA . 18678 1 96 . 1 1 8 8 MET HB2 H 1 2.380 0.008 . 2 . . . A 8 MET HB2 . 18678 1 97 . 1 1 8 8 MET HB3 H 1 2.770 0.008 . 2 . . . A 8 MET HB3 . 18678 1 98 . 1 1 8 8 MET HG2 H 1 2.512 0.008 . 2 . . . A 8 MET HG2 . 18678 1 99 . 1 1 8 8 MET HG3 H 1 2.625 0.008 . 2 . . . A 8 MET HG3 . 18678 1 100 . 1 1 8 8 MET HE1 H 1 2.144 0.008 . 1 . . . A 8 MET ME . 18678 1 101 . 1 1 8 8 MET HE2 H 1 2.144 0.008 . 1 . . . A 8 MET ME . 18678 1 102 . 1 1 8 8 MET HE3 H 1 2.144 0.008 . 1 . . . A 8 MET ME . 18678 1 103 . 1 1 8 8 MET C C 13 176.959 0.18 . 1 . . . A 8 MET C . 18678 1 104 . 1 1 8 8 MET CA C 13 55.822 0.18 . 1 . . . A 8 MET CA . 18678 1 105 . 1 1 8 8 MET CB C 13 28.761 0.18 . 1 . . . A 8 MET CB . 18678 1 106 . 1 1 8 8 MET CG C 13 32.814 0.18 . 1 . . . A 8 MET CG . 18678 1 107 . 1 1 8 8 MET CE C 13 16.567 0.18 . 1 . . . A 8 MET CE . 18678 1 108 . 1 1 8 8 MET N N 15 112.693 0.12 . 1 . . . A 8 MET N . 18678 1 109 . 1 1 9 9 LEU H H 1 8.003 0.008 . 1 . . . A 9 LEU H . 18678 1 110 . 1 1 9 9 LEU HA H 1 4.104 0.008 . 1 . . . A 9 LEU HA . 18678 1 111 . 1 1 9 9 LEU HB2 H 1 1.087 0.008 . 2 . . . A 9 LEU HB2 . 18678 1 112 . 1 1 9 9 LEU HB3 H 1 1.240 0.008 . 2 . . . A 9 LEU HB3 . 18678 1 113 . 1 1 9 9 LEU HG H 1 1.398 0.008 . 1 . . . A 9 LEU HG . 18678 1 114 . 1 1 9 9 LEU HD11 H 1 0.690 0.008 . 2 . . . A 9 LEU MD1 . 18678 1 115 . 1 1 9 9 LEU HD12 H 1 0.690 0.008 . 2 . . . A 9 LEU MD1 . 18678 1 116 . 1 1 9 9 LEU HD13 H 1 0.690 0.008 . 2 . . . A 9 LEU MD1 . 18678 1 117 . 1 1 9 9 LEU HD21 H 1 0.583 0.008 . 2 . . . A 9 LEU MD2 . 18678 1 118 . 1 1 9 9 LEU HD22 H 1 0.583 0.008 . 2 . . . A 9 LEU MD2 . 18678 1 119 . 1 1 9 9 LEU HD23 H 1 0.583 0.008 . 2 . . . A 9 LEU MD2 . 18678 1 120 . 1 1 9 9 LEU CA C 13 53.197 0.18 . 1 . . . A 9 LEU CA . 18678 1 121 . 1 1 9 9 LEU CB C 13 42.065 0.18 . 1 . . . A 9 LEU CB . 18678 1 122 . 1 1 9 9 LEU CG C 13 26.766 0.18 . 1 . . . A 9 LEU CG . 18678 1 123 . 1 1 9 9 LEU CD1 C 13 26.092 0.18 . 2 . . . A 9 LEU CD1 . 18678 1 124 . 1 1 9 9 LEU CD2 C 13 26.962 0.18 . 2 . . . A 9 LEU CD2 . 18678 1 125 . 1 1 9 9 LEU N N 15 117.401 0.12 . 1 . . . A 9 LEU N . 18678 1 126 . 1 1 10 10 PRO HA H 1 4.499 0.008 . 1 . . . A 10 PRO HA . 18678 1 127 . 1 1 10 10 PRO HB2 H 1 1.940 0.008 . 2 . . . A 10 PRO HB2 . 18678 1 128 . 1 1 10 10 PRO HB3 H 1 2.402 0.008 . 2 . . . A 10 PRO HB3 . 18678 1 129 . 1 1 10 10 PRO HG2 H 1 2.018 0.008 . 2 . . . A 10 PRO HG2 . 18678 1 130 . 1 1 10 10 PRO HG3 H 1 2.097 0.008 . 2 . . . A 10 PRO HG3 . 18678 1 131 . 1 1 10 10 PRO HD2 H 1 3.222 0.008 . 2 . . . A 10 PRO HD2 . 18678 1 132 . 1 1 10 10 PRO HD3 H 1 3.729 0.008 . 2 . . . A 10 PRO HD3 . 18678 1 133 . 1 1 10 10 PRO CA C 13 62.114 0.18 . 1 . . . A 10 PRO CA . 18678 1 134 . 1 1 10 10 PRO CB C 13 31.669 0.18 . 1 . . . A 10 PRO CB . 18678 1 135 . 1 1 10 10 PRO CG C 13 27.804 0.18 . 1 . . . A 10 PRO CG . 18678 1 136 . 1 1 10 10 PRO CD C 13 49.560 0.18 . 1 . . . A 10 PRO CD . 18678 1 137 . 1 1 11 11 GLN H H 1 9.111 0.008 . 1 . . . A 11 GLN H . 18678 1 138 . 1 1 11 11 GLN HA H 1 3.884 0.008 . 1 . . . A 11 GLN HA . 18678 1 139 . 1 1 11 11 GLN HB2 H 1 2.107 0.008 . 2 . . . A 11 GLN HB2 . 18678 1 140 . 1 1 11 11 GLN HB3 H 1 2.149 0.008 . 2 . . . A 11 GLN HB3 . 18678 1 141 . 1 1 11 11 GLN HG2 H 1 2.458 0.008 . 2 . . . A 11 GLN HG2 . 18678 1 142 . 1 1 11 11 GLN HG3 H 1 2.494 0.008 . 2 . . . A 11 GLN HG3 . 18678 1 143 . 1 1 11 11 GLN HE21 H 1 7.649 0.008 . 2 . . . A 11 GLN HE21 . 18678 1 144 . 1 1 11 11 GLN HE22 H 1 6.999 0.008 . 2 . . . A 11 GLN HE22 . 18678 1 145 . 1 1 11 11 GLN CA C 13 58.968 0.18 . 1 . . . A 11 GLN CA . 18678 1 146 . 1 1 11 11 GLN CB C 13 28.635 0.18 . 1 . . . A 11 GLN CB . 18678 1 147 . 1 1 11 11 GLN CG C 13 34.286 0.18 . 1 . . . A 11 GLN CG . 18678 1 148 . 1 1 11 11 GLN N N 15 124.939 0.12 . 1 . . . A 11 GLN N . 18678 1 149 . 1 1 11 11 GLN NE2 N 15 111.566 0.12 . 1 . . . A 11 GLN NE2 . 18678 1 150 . 1 1 12 12 ALA H H 1 8.267 0.008 . 1 . . . A 12 ALA H . 18678 1 151 . 1 1 12 12 ALA HA H 1 4.283 0.008 . 1 . . . A 12 ALA HA . 18678 1 152 . 1 1 12 12 ALA HB1 H 1 1.377 0.008 . 1 . . . A 12 ALA MB . 18678 1 153 . 1 1 12 12 ALA HB2 H 1 1.377 0.008 . 1 . . . A 12 ALA MB . 18678 1 154 . 1 1 12 12 ALA HB3 H 1 1.377 0.008 . 1 . . . A 12 ALA MB . 18678 1 155 . 1 1 12 12 ALA CA C 13 52.044 0.18 . 1 . . . A 12 ALA CA . 18678 1 156 . 1 1 12 12 ALA CB C 13 19.155 0.18 . 1 . . . A 12 ALA CB . 18678 1 157 . 1 1 12 12 ALA N N 15 115.571 0.12 . 1 . . . A 12 ALA N . 18678 1 158 . 1 1 13 13 ALA H H 1 7.482 0.008 . 1 . . . A 13 ALA H . 18678 1 159 . 1 1 13 13 ALA HA H 1 4.522 0.008 . 1 . . . A 13 ALA HA . 18678 1 160 . 1 1 13 13 ALA HB1 H 1 1.288 0.008 . 1 . . . A 13 ALA MB . 18678 1 161 . 1 1 13 13 ALA HB2 H 1 1.288 0.008 . 1 . . . A 13 ALA MB . 18678 1 162 . 1 1 13 13 ALA HB3 H 1 1.288 0.008 . 1 . . . A 13 ALA MB . 18678 1 163 . 1 1 13 13 ALA C C 13 178.087 0.18 . 1 . . . A 13 ALA C . 18678 1 164 . 1 1 13 13 ALA CA C 13 51.933 0.18 . 1 . . . A 13 ALA CA . 18678 1 165 . 1 1 13 13 ALA CB C 13 19.127 0.18 . 1 . . . A 13 ALA CB . 18678 1 166 . 1 1 13 13 ALA N N 15 118.599 0.12 . 1 . . . A 13 ALA N . 18678 1 167 . 1 1 14 14 THR H H 1 9.776 0.008 . 1 . . . A 14 THR H . 18678 1 168 . 1 1 14 14 THR HA H 1 4.666 0.008 . 1 . . . A 14 THR HA . 18678 1 169 . 1 1 14 14 THR HB H 1 4.681 0.008 . 1 . . . A 14 THR HB . 18678 1 170 . 1 1 14 14 THR HG21 H 1 1.335 0.008 . 1 . . . A 14 THR MG . 18678 1 171 . 1 1 14 14 THR HG22 H 1 1.335 0.008 . 1 . . . A 14 THR MG . 18678 1 172 . 1 1 14 14 THR HG23 H 1 1.335 0.008 . 1 . . . A 14 THR MG . 18678 1 173 . 1 1 14 14 THR C C 13 176.307 0.18 . 1 . . . A 14 THR C . 18678 1 174 . 1 1 14 14 THR CA C 13 59.492 0.18 . 1 . . . A 14 THR CA . 18678 1 175 . 1 1 14 14 THR CB C 13 72.944 0.18 . 1 . . . A 14 THR CB . 18678 1 176 . 1 1 14 14 THR CG2 C 13 21.272 0.18 . 1 . . . A 14 THR CG2 . 18678 1 177 . 1 1 14 14 THR N N 15 113.678 0.12 . 1 . . . A 14 THR N . 18678 1 178 . 1 1 15 15 GLU H H 1 10.146 0.008 . 1 . . . A 15 GLU H . 18678 1 179 . 1 1 15 15 GLU HA H 1 3.693 0.008 . 1 . . . A 15 GLU HA . 18678 1 180 . 1 1 15 15 GLU HB2 H 1 1.902 0.008 . 2 . . . A 15 GLU HB2 . 18678 1 181 . 1 1 15 15 GLU HB3 H 1 2.176 0.008 . 2 . . . A 15 GLU HB3 . 18678 1 182 . 1 1 15 15 GLU HG2 H 1 2.161 0.008 . 2 . . . A 15 GLU HG2 . 18678 1 183 . 1 1 15 15 GLU HG3 H 1 2.561 0.008 . 2 . . . A 15 GLU HG3 . 18678 1 184 . 1 1 15 15 GLU C C 13 179.066 0.18 . 1 . . . A 15 GLU C . 18678 1 185 . 1 1 15 15 GLU CA C 13 61.151 0.18 . 1 . . . A 15 GLU CA . 18678 1 186 . 1 1 15 15 GLU CB C 13 28.889 0.18 . 1 . . . A 15 GLU CB . 18678 1 187 . 1 1 15 15 GLU CG C 13 37.878 0.18 . 1 . . . A 15 GLU CG . 18678 1 188 . 1 1 15 15 GLU N N 15 119.605 0.12 . 1 . . . A 15 GLU N . 18678 1 189 . 1 1 16 16 ASP H H 1 8.231 0.008 . 1 . . . A 16 ASP H . 18678 1 190 . 1 1 16 16 ASP HA H 1 4.456 0.008 . 1 . . . A 16 ASP HA . 18678 1 191 . 1 1 16 16 ASP HB2 H 1 2.651 0.008 . 2 . . . A 16 ASP HB2 . 18678 1 192 . 1 1 16 16 ASP HB3 H 1 2.559 0.008 . 2 . . . A 16 ASP HB3 . 18678 1 193 . 1 1 16 16 ASP C C 13 179.670 0.18 . 1 . . . A 16 ASP C . 18678 1 194 . 1 1 16 16 ASP CA C 13 57.444 0.18 . 1 . . . A 16 ASP CA . 18678 1 195 . 1 1 16 16 ASP CB C 13 40.105 0.18 . 1 . . . A 16 ASP CB . 18678 1 196 . 1 1 16 16 ASP N N 15 117.474 0.12 . 1 . . . A 16 ASP N . 18678 1 197 . 1 1 17 17 ASP H H 1 7.731 0.008 . 1 . . . A 17 ASP H . 18678 1 198 . 1 1 17 17 ASP HA H 1 4.512 0.008 . 1 . . . A 17 ASP HA . 18678 1 199 . 1 1 17 17 ASP HB2 H 1 2.943 0.008 . 2 . . . A 17 ASP HB2 . 18678 1 200 . 1 1 17 17 ASP HB3 H 1 2.572 0.008 . 2 . . . A 17 ASP HB3 . 18678 1 201 . 1 1 17 17 ASP C C 13 179.549 0.18 . 1 . . . A 17 ASP C . 18678 1 202 . 1 1 17 17 ASP CA C 13 57.847 0.18 . 1 . . . A 17 ASP CA . 18678 1 203 . 1 1 17 17 ASP CB C 13 41.114 0.18 . 1 . . . A 17 ASP CB . 18678 1 204 . 1 1 17 17 ASP N N 15 120.300 0.12 . 1 . . . A 17 ASP N . 18678 1 205 . 1 1 18 18 ILE H H 1 7.370 0.008 . 1 . . . A 18 ILE H . 18678 1 206 . 1 1 18 18 ILE HA H 1 3.529 0.008 . 1 . . . A 18 ILE HA . 18678 1 207 . 1 1 18 18 ILE HB H 1 1.923 0.008 . 1 . . . A 18 ILE HB . 18678 1 208 . 1 1 18 18 ILE HG12 H 1 0.731 0.008 . 2 . . . A 18 ILE HG12 . 18678 1 209 . 1 1 18 18 ILE HG13 H 1 1.671 0.008 . 2 . . . A 18 ILE HG13 . 18678 1 210 . 1 1 18 18 ILE HG21 H 1 0.784 0.008 . 1 . . . A 18 ILE MG . 18678 1 211 . 1 1 18 18 ILE HG22 H 1 0.784 0.008 . 1 . . . A 18 ILE MG . 18678 1 212 . 1 1 18 18 ILE HG23 H 1 0.784 0.008 . 1 . . . A 18 ILE MG . 18678 1 213 . 1 1 18 18 ILE HD11 H 1 0.610 0.008 . 1 . . . A 18 ILE MD . 18678 1 214 . 1 1 18 18 ILE HD12 H 1 0.610 0.008 . 1 . . . A 18 ILE MD . 18678 1 215 . 1 1 18 18 ILE HD13 H 1 0.610 0.008 . 1 . . . A 18 ILE MD . 18678 1 216 . 1 1 18 18 ILE C C 13 178.112 0.18 . 1 . . . A 18 ILE C . 18678 1 217 . 1 1 18 18 ILE CA C 13 65.179 0.18 . 1 . . . A 18 ILE CA . 18678 1 218 . 1 1 18 18 ILE CB C 13 37.794 0.18 . 1 . . . A 18 ILE CB . 18678 1 219 . 1 1 18 18 ILE CG1 C 13 28.120 0.18 . 1 . . . A 18 ILE CG1 . 18678 1 220 . 1 1 18 18 ILE CG2 C 13 17.812 0.18 . 1 . . . A 18 ILE CG2 . 18678 1 221 . 1 1 18 18 ILE CD1 C 13 13.769 0.18 . 1 . . . A 18 ILE CD1 . 18678 1 222 . 1 1 18 18 ILE N N 15 118.721 0.12 . 1 . . . A 18 ILE N . 18678 1 223 . 1 1 19 19 ARG H H 1 8.844 0.008 . 1 . . . A 19 ARG H . 18678 1 224 . 1 1 19 19 ARG HA H 1 3.937 0.008 . 1 . . . A 19 ARG HA . 18678 1 225 . 1 1 19 19 ARG HB2 H 1 1.923 0.008 . 2 . . . A 19 ARG HB2 . 18678 1 226 . 1 1 19 19 ARG HB3 H 1 1.969 0.008 . 2 . . . A 19 ARG HB3 . 18678 1 227 . 1 1 19 19 ARG HG2 H 1 1.537 0.008 . 2 . . . A 19 ARG HG2 . 18678 1 228 . 1 1 19 19 ARG HG3 H 1 1.771 0.008 . 2 . . . A 19 ARG HG3 . 18678 1 229 . 1 1 19 19 ARG HD2 H 1 3.186 0.008 . 2 . . . A 19 ARG HD2 . 18678 1 230 . 1 1 19 19 ARG HD3 H 1 3.253 0.008 . 2 . . . A 19 ARG HD3 . 18678 1 231 . 1 1 19 19 ARG CA C 13 60.196 0.18 . 1 . . . A 19 ARG CA . 18678 1 232 . 1 1 19 19 ARG CB C 13 30.006 0.18 . 1 . . . A 19 ARG CB . 18678 1 233 . 1 1 19 19 ARG CG C 13 29.621 0.18 . 1 . . . A 19 ARG CG . 18678 1 234 . 1 1 19 19 ARG CD C 13 43.039 0.18 . 1 . . . A 19 ARG CD . 18678 1 235 . 1 1 19 19 ARG N N 15 118.476 0.12 . 1 . . . A 19 ARG N . 18678 1 236 . 1 1 20 20 GLY H H 1 8.381 0.008 . 1 . . . A 20 GLY H . 18678 1 237 . 1 1 20 20 GLY HA2 H 1 4.115 0.008 . 2 . . . A 20 GLY HA2 . 18678 1 238 . 1 1 20 20 GLY HA3 H 1 3.998 0.008 . 2 . . . A 20 GLY HA3 . 18678 1 239 . 1 1 20 20 GLY C C 13 176.842 0.18 . 1 . . . A 20 GLY C . 18678 1 240 . 1 1 20 20 GLY CA C 13 47.053 0.18 . 1 . . . A 20 GLY CA . 18678 1 241 . 1 1 20 20 GLY N N 15 106.191 0.12 . 1 . . . A 20 GLY N . 18678 1 242 . 1 1 21 21 GLN H H 1 7.466 0.008 . 1 . . . A 21 GLN H . 18678 1 243 . 1 1 21 21 GLN HA H 1 4.334 0.008 . 1 . . . A 21 GLN HA . 18678 1 244 . 1 1 21 21 GLN HB2 H 1 2.655 0.008 . 2 . . . A 21 GLN HB2 . 18678 1 245 . 1 1 21 21 GLN HB3 H 1 2.338 0.008 . 2 . . . A 21 GLN HB3 . 18678 1 246 . 1 1 21 21 GLN HG2 H 1 2.716 0.008 . 2 . . . A 21 GLN HG2 . 18678 1 247 . 1 1 21 21 GLN HG3 H 1 2.404 0.008 . 2 . . . A 21 GLN HG3 . 18678 1 248 . 1 1 21 21 GLN HE21 H 1 7.003 0.008 . 2 . . . A 21 GLN HE21 . 18678 1 249 . 1 1 21 21 GLN HE22 H 1 7.842 0.008 . 2 . . . A 21 GLN HE22 . 18678 1 250 . 1 1 21 21 GLN C C 13 178.817 0.18 . 1 . . . A 21 GLN C . 18678 1 251 . 1 1 21 21 GLN CA C 13 57.882 0.18 . 1 . . . A 21 GLN CA . 18678 1 252 . 1 1 21 21 GLN CB C 13 27.999 0.18 . 1 . . . A 21 GLN CB . 18678 1 253 . 1 1 21 21 GLN CG C 13 33.869 0.18 . 1 . . . A 21 GLN CG . 18678 1 254 . 1 1 21 21 GLN N N 15 119.886 0.12 . 1 . . . A 21 GLN N . 18678 1 255 . 1 1 21 21 GLN NE2 N 15 112.913 0.12 . 1 . . . A 21 GLN NE2 . 18678 1 256 . 1 1 22 22 LEU H H 1 7.824 0.008 . 1 . . . A 22 LEU H . 18678 1 257 . 1 1 22 22 LEU HA H 1 3.901 0.008 . 1 . . . A 22 LEU HA . 18678 1 258 . 1 1 22 22 LEU HB2 H 1 1.479 0.008 . 2 . . . A 22 LEU HB2 . 18678 1 259 . 1 1 22 22 LEU HB3 H 1 1.844 0.008 . 2 . . . A 22 LEU HB3 . 18678 1 260 . 1 1 22 22 LEU HG H 1 1.304 0.008 . 1 . . . A 22 LEU HG . 18678 1 261 . 1 1 22 22 LEU HD11 H 1 0.464 0.008 . 2 . . . A 22 LEU MD1 . 18678 1 262 . 1 1 22 22 LEU HD12 H 1 0.464 0.008 . 2 . . . A 22 LEU MD1 . 18678 1 263 . 1 1 22 22 LEU HD13 H 1 0.464 0.008 . 2 . . . A 22 LEU MD1 . 18678 1 264 . 1 1 22 22 LEU HD21 H 1 -0.408 0.008 . 2 . . . A 22 LEU MD2 . 18678 1 265 . 1 1 22 22 LEU HD22 H 1 -0.408 0.008 . 2 . . . A 22 LEU MD2 . 18678 1 266 . 1 1 22 22 LEU HD23 H 1 -0.408 0.008 . 2 . . . A 22 LEU MD2 . 18678 1 267 . 1 1 22 22 LEU C C 13 178.963 0.18 . 1 . . . A 22 LEU C . 18678 1 268 . 1 1 22 22 LEU CA C 13 58.132 0.18 . 1 . . . A 22 LEU CA . 18678 1 269 . 1 1 22 22 LEU CB C 13 40.934 0.18 . 1 . . . A 22 LEU CB . 18678 1 270 . 1 1 22 22 LEU CG C 13 26.766 0.18 . 1 . . . A 22 LEU CG . 18678 1 271 . 1 1 22 22 LEU CD1 C 13 26.650 0.18 . 2 . . . A 22 LEU CD1 . 18678 1 272 . 1 1 22 22 LEU CD2 C 13 23.129 0.18 . 2 . . . A 22 LEU CD2 . 18678 1 273 . 1 1 22 22 LEU N N 15 120.793 0.12 . 1 . . . A 22 LEU N . 18678 1 274 . 1 1 23 23 GLN H H 1 8.333 0.008 . 1 . . . A 23 GLN H . 18678 1 275 . 1 1 23 23 GLN HA H 1 4.158 0.008 . 1 . . . A 23 GLN HA . 18678 1 276 . 1 1 23 23 GLN HB2 H 1 2.230 0.008 . 2 . . . A 23 GLN HB2 . 18678 1 277 . 1 1 23 23 GLN HB3 H 1 2.187 0.008 . 2 . . . A 23 GLN HB3 . 18678 1 278 . 1 1 23 23 GLN HG2 H 1 2.505 0.008 . 2 . . . A 23 GLN HG2 . 18678 1 279 . 1 1 23 23 GLN HG3 H 1 2.460 0.008 . 2 . . . A 23 GLN HG3 . 18678 1 280 . 1 1 23 23 GLN HE21 H 1 7.500 0.008 . 2 . . . A 23 GLN HE21 . 18678 1 281 . 1 1 23 23 GLN HE22 H 1 6.883 0.008 . 2 . . . A 23 GLN HE22 . 18678 1 282 . 1 1 23 23 GLN C C 13 180.302 0.18 . 1 . . . A 23 GLN C . 18678 1 283 . 1 1 23 23 GLN CA C 13 58.672 0.18 . 1 . . . A 23 GLN CA . 18678 1 284 . 1 1 23 23 GLN CB C 13 28.401 0.18 . 1 . . . A 23 GLN CB . 18678 1 285 . 1 1 23 23 GLN CG C 13 33.675 0.18 . 1 . . . A 23 GLN CG . 18678 1 286 . 1 1 23 23 GLN N N 15 117.824 0.12 . 1 . . . A 23 GLN N . 18678 1 287 . 1 1 23 23 GLN NE2 N 15 111.028 0.12 . 1 . . . A 23 GLN NE2 . 18678 1 288 . 1 1 24 24 SER H H 1 8.137 0.008 . 1 . . . A 24 SER H . 18678 1 289 . 1 1 24 24 SER HA H 1 4.301 0.008 . 1 . . . A 24 SER HA . 18678 1 290 . 1 1 24 24 SER HB2 H 1 3.985 0.008 . 2 . . . A 24 SER HB2 . 18678 1 291 . 1 1 24 24 SER HB3 H 1 3.985 0.008 . 2 . . . A 24 SER HB3 . 18678 1 292 . 1 1 24 24 SER C C 13 175.573 0.18 . 1 . . . A 24 SER C . 18678 1 293 . 1 1 24 24 SER CA C 13 60.629 0.18 . 1 . . . A 24 SER CA . 18678 1 294 . 1 1 24 24 SER CB C 13 62.664 0.18 . 1 . . . A 24 SER CB . 18678 1 295 . 1 1 24 24 SER N N 15 114.971 0.12 . 1 . . . A 24 SER N . 18678 1 296 . 1 1 25 25 HIS H H 1 7.760 0.008 . 1 . . . A 25 HIS H . 18678 1 297 . 1 1 25 25 HIS HA H 1 4.825 0.008 . 1 . . . A 25 HIS HA . 18678 1 298 . 1 1 25 25 HIS HB2 H 1 3.148 0.008 . 2 . . . A 25 HIS HB2 . 18678 1 299 . 1 1 25 25 HIS HB3 H 1 3.685 0.008 . 2 . . . A 25 HIS HB3 . 18678 1 300 . 1 1 25 25 HIS HD2 H 1 7.368 0.008 . 1 . . . A 25 HIS HD2 . 18678 1 301 . 1 1 25 25 HIS C C 13 175.931 0.18 . 1 . . . A 25 HIS C . 18678 1 302 . 1 1 25 25 HIS CA C 13 55.941 0.18 . 1 . . . A 25 HIS CA . 18678 1 303 . 1 1 25 25 HIS CB C 13 31.091 0.18 . 1 . . . A 25 HIS CB . 18678 1 304 . 1 1 25 25 HIS CD2 C 13 117.442 0.18 . 1 . . . A 25 HIS CD2 . 18678 1 305 . 1 1 25 25 HIS N N 15 117.727 0.12 . 1 . . . A 25 HIS N . 18678 1 306 . 1 1 26 26 GLY H H 1 8.012 0.008 . 1 . . . A 26 GLY H . 18678 1 307 . 1 1 26 26 GLY HA2 H 1 3.935 0.008 . 2 . . . A 26 GLY HA2 . 18678 1 308 . 1 1 26 26 GLY HA3 H 1 4.047 0.008 . 2 . . . A 26 GLY HA3 . 18678 1 309 . 1 1 26 26 GLY C C 13 174.632 0.18 . 1 . . . A 26 GLY C . 18678 1 310 . 1 1 26 26 GLY CA C 13 46.637 0.18 . 1 . . . A 26 GLY CA . 18678 1 311 . 1 1 26 26 GLY N N 15 107.792 0.12 . 1 . . . A 26 GLY N . 18678 1 312 . 1 1 27 27 VAL H H 1 7.667 0.008 . 1 . . . A 27 VAL H . 18678 1 313 . 1 1 27 27 VAL HA H 1 4.422 0.008 . 1 . . . A 27 VAL HA . 18678 1 314 . 1 1 27 27 VAL HB H 1 1.896 0.008 . 1 . . . A 27 VAL HB . 18678 1 315 . 1 1 27 27 VAL HG11 H 1 0.805 0.008 . 2 . . . A 27 VAL MG1 . 18678 1 316 . 1 1 27 27 VAL HG12 H 1 0.805 0.008 . 2 . . . A 27 VAL MG1 . 18678 1 317 . 1 1 27 27 VAL HG13 H 1 0.805 0.008 . 2 . . . A 27 VAL MG1 . 18678 1 318 . 1 1 27 27 VAL HG21 H 1 0.805 0.008 . 2 . . . A 27 VAL MG2 . 18678 1 319 . 1 1 27 27 VAL HG22 H 1 0.805 0.008 . 2 . . . A 27 VAL MG2 . 18678 1 320 . 1 1 27 27 VAL HG23 H 1 0.805 0.008 . 2 . . . A 27 VAL MG2 . 18678 1 321 . 1 1 27 27 VAL CA C 13 60.117 0.18 . 1 . . . A 27 VAL CA . 18678 1 322 . 1 1 27 27 VAL CB C 13 34.301 0.18 . 1 . . . A 27 VAL CB . 18678 1 323 . 1 1 27 27 VAL CG1 C 13 20.520 0.18 . 2 . . . A 27 VAL CG1 . 18678 1 324 . 1 1 27 27 VAL CG2 C 13 21.585 0.18 . 2 . . . A 27 VAL CG2 . 18678 1 325 . 1 1 27 27 VAL N N 15 115.945 0.12 . 1 . . . A 27 VAL N . 18678 1 326 . 1 1 28 28 GLN H H 1 8.530 0.008 . 1 . . . A 28 GLN H . 18678 1 327 . 1 1 28 28 GLN HB2 H 1 1.928 0.008 . 2 . . . A 28 GLN HB2 . 18678 1 328 . 1 1 28 28 GLN HB3 H 1 1.928 0.008 . 2 . . . A 28 GLN HB3 . 18678 1 329 . 1 1 28 28 GLN HG2 H 1 2.298 0.008 . 2 . . . A 28 GLN HG2 . 18678 1 330 . 1 1 28 28 GLN HG3 H 1 2.298 0.008 . 2 . . . A 28 GLN HG3 . 18678 1 331 . 1 1 28 28 GLN HE21 H 1 6.834 0.008 . 2 . . . A 28 GLN HE21 . 18678 1 332 . 1 1 28 28 GLN HE22 H 1 7.516 0.008 . 2 . . . A 28 GLN HE22 . 18678 1 333 . 1 1 28 28 GLN CB C 13 30.332 0.18 . 1 . . . A 28 GLN CB . 18678 1 334 . 1 1 28 28 GLN CG C 13 33.653 0.18 . 1 . . . A 28 GLN CG . 18678 1 335 . 1 1 28 28 GLN N N 15 122.223 0.12 . 1 . . . A 28 GLN N . 18678 1 336 . 1 1 28 28 GLN NE2 N 15 111.845 0.12 . 1 . . . A 28 GLN NE2 . 18678 1 337 . 1 1 29 29 ALA H H 1 8.459 0.008 . 1 . . . A 29 ALA H . 18678 1 338 . 1 1 29 29 ALA HA H 1 4.505 0.008 . 1 . . . A 29 ALA HA . 18678 1 339 . 1 1 29 29 ALA HB1 H 1 0.525 0.008 . 1 . . . A 29 ALA MB . 18678 1 340 . 1 1 29 29 ALA HB2 H 1 0.525 0.008 . 1 . . . A 29 ALA MB . 18678 1 341 . 1 1 29 29 ALA HB3 H 1 0.525 0.008 . 1 . . . A 29 ALA MB . 18678 1 342 . 1 1 29 29 ALA CA C 13 54.144 0.18 . 1 . . . A 29 ALA CA . 18678 1 343 . 1 1 29 29 ALA CB C 13 20.111 0.18 . 1 . . . A 29 ALA CB . 18678 1 344 . 1 1 29 29 ALA N N 15 125.912 0.12 . 1 . . . A 29 ALA N . 18678 1 345 . 1 1 30 30 ARG H H 1 8.779 0.008 . 1 . . . A 30 ARG H . 18678 1 346 . 1 1 30 30 ARG HA H 1 4.176 0.008 . 1 . . . A 30 ARG HA . 18678 1 347 . 1 1 30 30 ARG HB2 H 1 1.701 0.008 . 2 . . . A 30 ARG HB2 . 18678 1 348 . 1 1 30 30 ARG HB3 H 1 1.540 0.008 . 2 . . . A 30 ARG HB3 . 18678 1 349 . 1 1 30 30 ARG HG2 H 1 1.493 0.008 . 2 . . . A 30 ARG HG2 . 18678 1 350 . 1 1 30 30 ARG HG3 H 1 1.557 0.008 . 2 . . . A 30 ARG HG3 . 18678 1 351 . 1 1 30 30 ARG HD2 H 1 3.139 0.008 . 2 . . . A 30 ARG HD2 . 18678 1 352 . 1 1 30 30 ARG HD3 H 1 3.042 0.008 . 2 . . . A 30 ARG HD3 . 18678 1 353 . 1 1 30 30 ARG C C 13 176.971 0.18 . 1 . . . A 30 ARG C . 18678 1 354 . 1 1 30 30 ARG CA C 13 57.634 0.18 . 1 . . . A 30 ARG CA . 18678 1 355 . 1 1 30 30 ARG CB C 13 30.814 0.18 . 1 . . . A 30 ARG CB . 18678 1 356 . 1 1 30 30 ARG CG C 13 26.911 0.18 . 1 . . . A 30 ARG CG . 18678 1 357 . 1 1 30 30 ARG CD C 13 43.373 0.18 . 1 . . . A 30 ARG CD . 18678 1 358 . 1 1 30 30 ARG N N 15 122.462 0.12 . 1 . . . A 30 ARG N . 18678 1 359 . 1 1 31 31 GLU H H 1 7.428 0.008 . 1 . . . A 31 GLU H . 18678 1 360 . 1 1 31 31 GLU HA H 1 4.457 0.008 . 1 . . . A 31 GLU HA . 18678 1 361 . 1 1 31 31 GLU HB2 H 1 1.808 0.008 . 2 . . . A 31 GLU HB2 . 18678 1 362 . 1 1 31 31 GLU HB3 H 1 1.879 0.008 . 2 . . . A 31 GLU HB3 . 18678 1 363 . 1 1 31 31 GLU HG2 H 1 2.056 0.008 . 2 . . . A 31 GLU HG2 . 18678 1 364 . 1 1 31 31 GLU HG3 H 1 2.193 0.008 . 2 . . . A 31 GLU HG3 . 18678 1 365 . 1 1 31 31 GLU C C 13 173.947 0.18 . 1 . . . A 31 GLU C . 18678 1 366 . 1 1 31 31 GLU CA C 13 55.715 0.18 . 1 . . . A 31 GLU CA . 18678 1 367 . 1 1 31 31 GLU CB C 13 33.794 0.18 . 1 . . . A 31 GLU CB . 18678 1 368 . 1 1 31 31 GLU CG C 13 36.440 0.18 . 1 . . . A 31 GLU CG . 18678 1 369 . 1 1 31 31 GLU N N 15 114.711 0.12 . 1 . . . A 31 GLU N . 18678 1 370 . 1 1 32 32 VAL H H 1 8.518 0.008 . 1 . . . A 32 VAL H . 18678 1 371 . 1 1 32 32 VAL HA H 1 4.549 0.008 . 1 . . . A 32 VAL HA . 18678 1 372 . 1 1 32 32 VAL HB H 1 1.883 0.008 . 1 . . . A 32 VAL HB . 18678 1 373 . 1 1 32 32 VAL HG11 H 1 0.709 0.008 . 2 . . . A 32 VAL MG1 . 18678 1 374 . 1 1 32 32 VAL HG12 H 1 0.709 0.008 . 2 . . . A 32 VAL MG1 . 18678 1 375 . 1 1 32 32 VAL HG13 H 1 0.709 0.008 . 2 . . . A 32 VAL MG1 . 18678 1 376 . 1 1 32 32 VAL HG21 H 1 0.794 0.008 . 2 . . . A 32 VAL MG2 . 18678 1 377 . 1 1 32 32 VAL HG22 H 1 0.794 0.008 . 2 . . . A 32 VAL MG2 . 18678 1 378 . 1 1 32 32 VAL HG23 H 1 0.794 0.008 . 2 . . . A 32 VAL MG2 . 18678 1 379 . 1 1 32 32 VAL C C 13 174.487 0.18 . 1 . . . A 32 VAL C . 18678 1 380 . 1 1 32 32 VAL CA C 13 61.392 0.18 . 1 . . . A 32 VAL CA . 18678 1 381 . 1 1 32 32 VAL CB C 13 34.027 0.18 . 1 . . . A 32 VAL CB . 18678 1 382 . 1 1 32 32 VAL CG1 C 13 21.322 0.18 . 2 . . . A 32 VAL CG1 . 18678 1 383 . 1 1 32 32 VAL CG2 C 13 21.377 0.18 . 2 . . . A 32 VAL CG2 . 18678 1 384 . 1 1 32 32 VAL N N 15 124.293 0.12 . 1 . . . A 32 VAL N . 18678 1 385 . 1 1 33 33 ARG H H 1 9.147 0.008 . 1 . . . A 33 ARG H . 18678 1 386 . 1 1 33 33 ARG HA H 1 4.838 0.008 . 1 . . . A 33 ARG HA . 18678 1 387 . 1 1 33 33 ARG HB2 H 1 1.792 0.008 . 2 . . . A 33 ARG HB2 . 18678 1 388 . 1 1 33 33 ARG HB3 H 1 1.792 0.008 . 2 . . . A 33 ARG HB3 . 18678 1 389 . 1 1 33 33 ARG HG2 H 1 1.538 0.008 . 2 . . . A 33 ARG HG2 . 18678 1 390 . 1 1 33 33 ARG HG3 H 1 1.538 0.008 . 2 . . . A 33 ARG HG3 . 18678 1 391 . 1 1 33 33 ARG HD2 H 1 3.129 0.008 . 2 . . . A 33 ARG HD2 . 18678 1 392 . 1 1 33 33 ARG HD3 H 1 3.129 0.008 . 2 . . . A 33 ARG HD3 . 18678 1 393 . 1 1 33 33 ARG C C 13 174.820 0.18 . 1 . . . A 33 ARG C . 18678 1 394 . 1 1 33 33 ARG CA C 13 54.349 0.18 . 1 . . . A 33 ARG CA . 18678 1 395 . 1 1 33 33 ARG CB C 13 32.959 0.18 . 1 . . . A 33 ARG CB . 18678 1 396 . 1 1 33 33 ARG CG C 13 27.218 0.18 . 1 . . . A 33 ARG CG . 18678 1 397 . 1 1 33 33 ARG CD C 13 43.459 0.18 . 1 . . . A 33 ARG CD . 18678 1 398 . 1 1 33 33 ARG N N 15 125.840 0.12 . 1 . . . A 33 ARG N . 18678 1 399 . 1 1 34 34 LEU H H 1 9.254 0.008 . 1 . . . A 34 LEU H . 18678 1 400 . 1 1 34 34 LEU HA H 1 4.419 0.008 . 1 . . . A 34 LEU HA . 18678 1 401 . 1 1 34 34 LEU HB2 H 1 1.871 0.008 . 2 . . . A 34 LEU HB2 . 18678 1 402 . 1 1 34 34 LEU HB3 H 1 1.098 0.008 . 2 . . . A 34 LEU HB3 . 18678 1 403 . 1 1 34 34 LEU HG H 1 1.421 0.008 . 1 . . . A 34 LEU HG . 18678 1 404 . 1 1 34 34 LEU HD11 H 1 0.735 0.008 . 2 . . . A 34 LEU MD1 . 18678 1 405 . 1 1 34 34 LEU HD12 H 1 0.735 0.008 . 2 . . . A 34 LEU MD1 . 18678 1 406 . 1 1 34 34 LEU HD13 H 1 0.735 0.008 . 2 . . . A 34 LEU MD1 . 18678 1 407 . 1 1 34 34 LEU HD21 H 1 0.799 0.008 . 2 . . . A 34 LEU MD2 . 18678 1 408 . 1 1 34 34 LEU HD22 H 1 0.799 0.008 . 2 . . . A 34 LEU MD2 . 18678 1 409 . 1 1 34 34 LEU HD23 H 1 0.799 0.008 . 2 . . . A 34 LEU MD2 . 18678 1 410 . 1 1 34 34 LEU CA C 13 54.463 0.18 . 1 . . . A 34 LEU CA . 18678 1 411 . 1 1 34 34 LEU CB C 13 44.101 0.18 . 1 . . . A 34 LEU CB . 18678 1 412 . 1 1 34 34 LEU CG C 13 27.808 0.18 . 1 . . . A 34 LEU CG . 18678 1 413 . 1 1 34 34 LEU CD1 C 13 24.772 0.18 . 2 . . . A 34 LEU CD1 . 18678 1 414 . 1 1 34 34 LEU CD2 C 13 25.375 0.18 . 2 . . . A 34 LEU CD2 . 18678 1 415 . 1 1 34 34 LEU N N 15 127.869 0.12 . 1 . . . A 34 LEU N . 18678 1 416 . 1 1 35 35 MET H H 1 8.115 0.008 . 1 . . . A 35 MET H . 18678 1 417 . 1 1 35 35 MET HA H 1 2.988 0.008 . 1 . . . A 35 MET HA . 18678 1 418 . 1 1 35 35 MET HB2 H 1 1.456 0.008 . 2 . . . A 35 MET HB2 . 18678 1 419 . 1 1 35 35 MET HB3 H 1 1.602 0.008 . 2 . . . A 35 MET HB3 . 18678 1 420 . 1 1 35 35 MET HG2 H 1 2.149 0.008 . 2 . . . A 35 MET HG2 . 18678 1 421 . 1 1 35 35 MET HG3 H 1 2.278 0.008 . 2 . . . A 35 MET HG3 . 18678 1 422 . 1 1 35 35 MET HE1 H 1 2.060 0.008 . 1 . . . A 35 MET ME . 18678 1 423 . 1 1 35 35 MET HE2 H 1 2.060 0.008 . 1 . . . A 35 MET ME . 18678 1 424 . 1 1 35 35 MET HE3 H 1 2.060 0.008 . 1 . . . A 35 MET ME . 18678 1 425 . 1 1 35 35 MET C C 13 174.365 0.18 . 1 . . . A 35 MET C . 18678 1 426 . 1 1 35 35 MET CA C 13 55.155 0.18 . 1 . . . A 35 MET CA . 18678 1 427 . 1 1 35 35 MET CB C 13 34.298 0.18 . 1 . . . A 35 MET CB . 18678 1 428 . 1 1 35 35 MET CG C 13 31.787 0.18 . 1 . . . A 35 MET CG . 18678 1 429 . 1 1 35 35 MET CE C 13 17.155 0.18 . 1 . . . A 35 MET CE . 18678 1 430 . 1 1 35 35 MET N N 15 119.778 0.12 . 1 . . . A 35 MET N . 18678 1 431 . 1 1 36 36 ARG H H 1 8.608 0.008 . 1 . . . A 36 ARG H . 18678 1 432 . 1 1 36 36 ARG HB2 H 1 1.523 0.008 . 2 . . . A 36 ARG HB2 . 18678 1 433 . 1 1 36 36 ARG HB3 H 1 1.426 0.008 . 2 . . . A 36 ARG HB3 . 18678 1 434 . 1 1 36 36 ARG HG2 H 1 1.275 0.008 . 2 . . . A 36 ARG HG2 . 18678 1 435 . 1 1 36 36 ARG HG3 H 1 1.538 0.008 . 2 . . . A 36 ARG HG3 . 18678 1 436 . 1 1 36 36 ARG HD3 H 1 3.146 0.008 . 2 . . . A 36 ARG HD3 . 18678 1 437 . 1 1 36 36 ARG C C 13 171.664 0.18 . 1 . . . A 36 ARG C . 18678 1 438 . 1 1 36 36 ARG CA C 13 56.159 0.18 . 1 . . . A 36 ARG CA . 18678 1 439 . 1 1 36 36 ARG CB C 13 33.519 0.18 . 1 . . . A 36 ARG CB . 18678 1 440 . 1 1 36 36 ARG CG C 13 28.217 0.18 . 1 . . . A 36 ARG CG . 18678 1 441 . 1 1 36 36 ARG CD C 13 43.032 0.18 . 1 . . . A 36 ARG CD . 18678 1 442 . 1 1 36 36 ARG N N 15 121.714 0.12 . 1 . . . A 36 ARG N . 18678 1 443 . 1 1 37 37 ASN H H 1 8.876 0.008 . 1 . . . A 37 ASN H . 18678 1 444 . 1 1 37 37 ASN HA H 1 4.667 0.008 . 1 . . . A 37 ASN HA . 18678 1 445 . 1 1 37 37 ASN HB2 H 1 2.708 0.008 . 2 . . . A 37 ASN HB2 . 18678 1 446 . 1 1 37 37 ASN HB3 H 1 3.017 0.008 . 2 . . . A 37 ASN HB3 . 18678 1 447 . 1 1 37 37 ASN HD21 H 1 7.790 0.008 . 2 . . . A 37 ASN HD21 . 18678 1 448 . 1 1 37 37 ASN HD22 H 1 7.203 0.008 . 2 . . . A 37 ASN HD22 . 18678 1 449 . 1 1 37 37 ASN C C 13 173.323 0.18 . 1 . . . A 37 ASN C . 18678 1 450 . 1 1 37 37 ASN CA C 13 53.007 0.18 . 1 . . . A 37 ASN CA . 18678 1 451 . 1 1 37 37 ASN CB C 13 39.221 0.18 . 1 . . . A 37 ASN CB . 18678 1 452 . 1 1 37 37 ASN N N 15 121.222 0.12 . 1 . . . A 37 ASN N . 18678 1 453 . 1 1 37 37 ASN ND2 N 15 113.899 0.12 . 1 . . . A 37 ASN ND2 . 18678 1 454 . 1 1 38 38 LYS H H 1 9.049 0.008 . 1 . . . A 38 LYS H . 18678 1 455 . 1 1 38 38 LYS HA H 1 4.120 0.008 . 1 . . . A 38 LYS HA . 18678 1 456 . 1 1 38 38 LYS HB2 H 1 1.901 0.008 . 2 . . . A 38 LYS HB2 . 18678 1 457 . 1 1 38 38 LYS HB3 H 1 1.901 0.008 . 2 . . . A 38 LYS HB3 . 18678 1 458 . 1 1 38 38 LYS HG2 H 1 1.503 0.008 . 2 . . . A 38 LYS HG2 . 18678 1 459 . 1 1 38 38 LYS HG3 H 1 1.503 0.008 . 2 . . . A 38 LYS HG3 . 18678 1 460 . 1 1 38 38 LYS HD2 H 1 1.720 0.008 . 2 . . . A 38 LYS HD2 . 18678 1 461 . 1 1 38 38 LYS HD3 H 1 1.720 0.008 . 2 . . . A 38 LYS HD3 . 18678 1 462 . 1 1 38 38 LYS HE2 H 1 3.025 0.008 . 2 . . . A 38 LYS HE2 . 18678 1 463 . 1 1 38 38 LYS HE3 H 1 3.025 0.008 . 2 . . . A 38 LYS HE3 . 18678 1 464 . 1 1 38 38 LYS CA C 13 58.305 0.18 . 1 . . . A 38 LYS CA . 18678 1 465 . 1 1 38 38 LYS CB C 13 32.350 0.18 . 1 . . . A 38 LYS CB . 18678 1 466 . 1 1 38 38 LYS CG C 13 24.824 0.18 . 1 . . . A 38 LYS CG . 18678 1 467 . 1 1 38 38 LYS CD C 13 29.004 0.18 . 1 . . . A 38 LYS CD . 18678 1 468 . 1 1 38 38 LYS CE C 13 41.944 0.18 . 1 . . . A 38 LYS CE . 18678 1 469 . 1 1 38 38 LYS N N 15 126.560 0.12 . 1 . . . A 38 LYS N . 18678 1 470 . 1 1 39 39 SER H H 1 8.440 0.008 . 1 . . . A 39 SER H . 18678 1 471 . 1 1 39 39 SER HA H 1 4.446 0.008 . 1 . . . A 39 SER HA . 18678 1 472 . 1 1 39 39 SER HB2 H 1 3.969 0.008 . 2 . . . A 39 SER HB2 . 18678 1 473 . 1 1 39 39 SER HB3 H 1 3.969 0.008 . 2 . . . A 39 SER HB3 . 18678 1 474 . 1 1 39 39 SER C C 13 175.727 0.18 . 1 . . . A 39 SER C . 18678 1 475 . 1 1 39 39 SER CA C 13 59.813 0.18 . 1 . . . A 39 SER CA . 18678 1 476 . 1 1 39 39 SER CB C 13 62.897 0.18 . 1 . . . A 39 SER CB . 18678 1 477 . 1 1 39 39 SER N N 15 113.501 0.12 . 1 . . . A 39 SER N . 18678 1 478 . 1 1 40 40 SER H H 1 8.103 0.008 . 1 . . . A 40 SER H . 18678 1 479 . 1 1 40 40 SER HA H 1 4.611 0.008 . 1 . . . A 40 SER HA . 18678 1 480 . 1 1 40 40 SER HB2 H 1 3.818 0.008 . 2 . . . A 40 SER HB2 . 18678 1 481 . 1 1 40 40 SER HB3 H 1 4.060 0.008 . 2 . . . A 40 SER HB3 . 18678 1 482 . 1 1 40 40 SER C C 13 176.331 0.18 . 1 . . . A 40 SER C . 18678 1 483 . 1 1 40 40 SER CA C 13 57.666 0.18 . 1 . . . A 40 SER CA . 18678 1 484 . 1 1 40 40 SER CB C 13 65.195 0.18 . 1 . . . A 40 SER CB . 18678 1 485 . 1 1 40 40 SER N N 15 114.027 0.12 . 1 . . . A 40 SER N . 18678 1 486 . 1 1 41 41 GLY H H 1 8.399 0.008 . 1 . . . A 41 GLY H . 18678 1 487 . 1 1 41 41 GLY HA2 H 1 4.230 0.008 . 2 . . . A 41 GLY HA2 . 18678 1 488 . 1 1 41 41 GLY HA3 H 1 3.873 0.008 . 2 . . . A 41 GLY HA3 . 18678 1 489 . 1 1 41 41 GLY C C 13 174.340 0.18 . 1 . . . A 41 GLY C . 18678 1 490 . 1 1 41 41 GLY CA C 13 45.644 0.18 . 1 . . . A 41 GLY CA . 18678 1 491 . 1 1 41 41 GLY N N 15 111.485 0.12 . 1 . . . A 41 GLY N . 18678 1 492 . 1 1 42 42 GLN H H 1 7.973 0.008 . 1 . . . A 42 GLN H . 18678 1 493 . 1 1 42 42 GLN HA H 1 4.281 0.008 . 1 . . . A 42 GLN HA . 18678 1 494 . 1 1 42 42 GLN HB2 H 1 2.085 0.008 . 2 . . . A 42 GLN HB2 . 18678 1 495 . 1 1 42 42 GLN HB3 H 1 1.917 0.008 . 2 . . . A 42 GLN HB3 . 18678 1 496 . 1 1 42 42 GLN HG2 H 1 2.404 0.008 . 2 . . . A 42 GLN HG2 . 18678 1 497 . 1 1 42 42 GLN HG3 H 1 2.404 0.008 . 2 . . . A 42 GLN HG3 . 18678 1 498 . 1 1 42 42 GLN HE21 H 1 6.932 0.008 . 2 . . . A 42 GLN HE21 . 18678 1 499 . 1 1 42 42 GLN HE22 H 1 7.573 0.008 . 2 . . . A 42 GLN HE22 . 18678 1 500 . 1 1 42 42 GLN C C 13 176.606 0.18 . 1 . . . A 42 GLN C . 18678 1 501 . 1 1 42 42 GLN CA C 13 55.395 0.18 . 1 . . . A 42 GLN CA . 18678 1 502 . 1 1 42 42 GLN CB C 13 29.757 0.18 . 1 . . . A 42 GLN CB . 18678 1 503 . 1 1 42 42 GLN CG C 13 33.655 0.18 . 1 . . . A 42 GLN CG . 18678 1 504 . 1 1 42 42 GLN N N 15 118.745 0.12 . 1 . . . A 42 GLN N . 18678 1 505 . 1 1 42 42 GLN NE2 N 15 112.158 0.12 . 1 . . . A 42 GLN NE2 . 18678 1 506 . 1 1 43 43 SER H H 1 8.977 0.008 . 1 . . . A 43 SER H . 18678 1 507 . 1 1 43 43 SER HA H 1 4.341 0.008 . 1 . . . A 43 SER HA . 18678 1 508 . 1 1 43 43 SER HB2 H 1 3.907 0.008 . 2 . . . A 43 SER HB2 . 18678 1 509 . 1 1 43 43 SER HB3 H 1 4.091 0.008 . 2 . . . A 43 SER HB3 . 18678 1 510 . 1 1 43 43 SER C C 13 176.599 0.18 . 1 . . . A 43 SER C . 18678 1 511 . 1 1 43 43 SER CA C 13 58.335 0.18 . 1 . . . A 43 SER CA . 18678 1 512 . 1 1 43 43 SER CB C 13 63.807 0.18 . 1 . . . A 43 SER CB . 18678 1 513 . 1 1 43 43 SER N N 15 116.517 0.12 . 1 . . . A 43 SER N . 18678 1 514 . 1 1 44 44 ARG H H 1 9.012 0.008 . 1 . . . A 44 ARG H . 18678 1 515 . 1 1 44 44 ARG HA H 1 4.495 0.008 . 1 . . . A 44 ARG HA . 18678 1 516 . 1 1 44 44 ARG HB2 H 1 1.222 0.008 . 2 . . . A 44 ARG HB2 . 18678 1 517 . 1 1 44 44 ARG HB3 H 1 2.257 0.008 . 2 . . . A 44 ARG HB3 . 18678 1 518 . 1 1 44 44 ARG HG2 H 1 1.558 0.008 . 2 . . . A 44 ARG HG2 . 18678 1 519 . 1 1 44 44 ARG HG3 H 1 1.709 0.008 . 2 . . . A 44 ARG HG3 . 18678 1 520 . 1 1 44 44 ARG HD2 H 1 3.127 0.008 . 2 . . . A 44 ARG HD2 . 18678 1 521 . 1 1 44 44 ARG HD3 H 1 2.898 0.008 . 2 . . . A 44 ARG HD3 . 18678 1 522 . 1 1 44 44 ARG C C 13 177.596 0.18 . 1 . . . A 44 ARG C . 18678 1 523 . 1 1 44 44 ARG CA C 13 55.765 0.18 . 1 . . . A 44 ARG CA . 18678 1 524 . 1 1 44 44 ARG CB C 13 31.307 0.18 . 1 . . . A 44 ARG CB . 18678 1 525 . 1 1 44 44 ARG CG C 13 27.439 0.18 . 1 . . . A 44 ARG CG . 18678 1 526 . 1 1 44 44 ARG CD C 13 43.723 0.18 . 1 . . . A 44 ARG CD . 18678 1 527 . 1 1 44 44 ARG N N 15 123.834 0.12 . 1 . . . A 44 ARG N . 18678 1 528 . 1 1 45 45 GLY H H 1 9.043 0.008 . 1 . . . A 45 GLY H . 18678 1 529 . 1 1 45 45 GLY HA2 H 1 4.164 0.008 . 2 . . . A 45 GLY HA2 . 18678 1 530 . 1 1 45 45 GLY HA3 H 1 3.692 0.008 . 2 . . . A 45 GLY HA3 . 18678 1 531 . 1 1 45 45 GLY C C 13 172.606 0.18 . 1 . . . A 45 GLY C . 18678 1 532 . 1 1 45 45 GLY CA C 13 45.804 0.18 . 1 . . . A 45 GLY CA . 18678 1 533 . 1 1 45 45 GLY N N 15 106.711 0.12 . 1 . . . A 45 GLY N . 18678 1 534 . 1 1 46 46 PHE H H 1 7.288 0.008 . 1 . . . A 46 PHE H . 18678 1 535 . 1 1 46 46 PHE HA H 1 5.477 0.008 . 1 . . . A 46 PHE HA . 18678 1 536 . 1 1 46 46 PHE HB2 H 1 3.169 0.008 . 2 . . . A 46 PHE HB2 . 18678 1 537 . 1 1 46 46 PHE HB3 H 1 3.006 0.008 . 2 . . . A 46 PHE HB3 . 18678 1 538 . 1 1 46 46 PHE HD1 H 1 6.872 0.008 . 3 . . . A 46 PHE HD1 . 18678 1 539 . 1 1 46 46 PHE HD2 H 1 6.872 0.008 . 3 . . . A 46 PHE HD2 . 18678 1 540 . 1 1 46 46 PHE HE1 H 1 7.296 0.008 . 3 . . . A 46 PHE HE1 . 18678 1 541 . 1 1 46 46 PHE HE2 H 1 7.296 0.008 . 3 . . . A 46 PHE HE2 . 18678 1 542 . 1 1 46 46 PHE C C 13 173.114 0.18 . 1 . . . A 46 PHE C . 18678 1 543 . 1 1 46 46 PHE CA C 13 54.660 0.18 . 1 . . . A 46 PHE CA . 18678 1 544 . 1 1 46 46 PHE CB C 13 41.916 0.18 . 1 . . . A 46 PHE CB . 18678 1 545 . 1 1 46 46 PHE CD1 C 13 130.404 0.18 . 3 . . . A 46 PHE CD1 . 18678 1 546 . 1 1 46 46 PHE CD2 C 13 130.404 0.18 . 3 . . . A 46 PHE CD2 . 18678 1 547 . 1 1 46 46 PHE CE1 C 13 129.386 0.18 . 3 . . . A 46 PHE CE1 . 18678 1 548 . 1 1 46 46 PHE CE2 C 13 129.386 0.18 . 3 . . . A 46 PHE CE2 . 18678 1 549 . 1 1 46 46 PHE N N 15 112.805 0.12 . 1 . . . A 46 PHE N . 18678 1 550 . 1 1 47 47 ALA H H 1 8.489 0.008 . 1 . . . A 47 ALA H . 18678 1 551 . 1 1 47 47 ALA HA H 1 5.133 0.008 . 1 . . . A 47 ALA HA . 18678 1 552 . 1 1 47 47 ALA HB1 H 1 1.152 0.008 . 1 . . . A 47 ALA MB . 18678 1 553 . 1 1 47 47 ALA HB2 H 1 1.152 0.008 . 1 . . . A 47 ALA MB . 18678 1 554 . 1 1 47 47 ALA HB3 H 1 1.152 0.008 . 1 . . . A 47 ALA MB . 18678 1 555 . 1 1 47 47 ALA C C 13 174.783 0.18 . 1 . . . A 47 ALA C . 18678 1 556 . 1 1 47 47 ALA CA C 13 49.726 0.18 . 1 . . . A 47 ALA CA . 18678 1 557 . 1 1 47 47 ALA CB C 13 25.180 0.18 . 1 . . . A 47 ALA CB . 18678 1 558 . 1 1 47 47 ALA N N 15 118.618 0.12 . 1 . . . A 47 ALA N . 18678 1 559 . 1 1 48 48 PHE H H 1 9.047 0.008 . 1 . . . A 48 PHE H . 18678 1 560 . 1 1 48 48 PHE HA H 1 5.426 0.008 . 1 . . . A 48 PHE HA . 18678 1 561 . 1 1 48 48 PHE HB2 H 1 2.906 0.008 . 2 . . . A 48 PHE HB2 . 18678 1 562 . 1 1 48 48 PHE HB3 H 1 2.783 0.008 . 2 . . . A 48 PHE HB3 . 18678 1 563 . 1 1 48 48 PHE HD1 H 1 7.117 0.008 . 3 . . . A 48 PHE HD1 . 18678 1 564 . 1 1 48 48 PHE HD2 H 1 7.117 0.008 . 3 . . . A 48 PHE HD2 . 18678 1 565 . 1 1 48 48 PHE HE1 H 1 7.440 0.008 . 3 . . . A 48 PHE HE1 . 18678 1 566 . 1 1 48 48 PHE HE2 H 1 7.440 0.008 . 3 . . . A 48 PHE HE2 . 18678 1 567 . 1 1 48 48 PHE HZ H 1 7.245 0.008 . 1 . . . A 48 PHE HZ . 18678 1 568 . 1 1 48 48 PHE C C 13 174.883 0.18 . 1 . . . A 48 PHE C . 18678 1 569 . 1 1 48 48 PHE CA C 13 56.721 0.18 . 1 . . . A 48 PHE CA . 18678 1 570 . 1 1 48 48 PHE CB C 13 42.554 0.18 . 1 . . . A 48 PHE CB . 18678 1 571 . 1 1 48 48 PHE CD1 C 13 129.488 0.18 . 3 . . . A 48 PHE CD1 . 18678 1 572 . 1 1 48 48 PHE CD2 C 13 129.488 0.18 . 3 . . . A 48 PHE CD2 . 18678 1 573 . 1 1 48 48 PHE CE1 C 13 129.439 0.18 . 3 . . . A 48 PHE CE1 . 18678 1 574 . 1 1 48 48 PHE CE2 C 13 129.435 0.18 . 3 . . . A 48 PHE CE2 . 18678 1 575 . 1 1 48 48 PHE CZ C 13 127.700 0.18 . 1 . . . A 48 PHE CZ . 18678 1 576 . 1 1 48 48 PHE N N 15 116.577 0.12 . 1 . . . A 48 PHE N . 18678 1 577 . 1 1 49 49 VAL H H 1 9.764 0.008 . 1 . . . A 49 VAL H . 18678 1 578 . 1 1 49 49 VAL HA H 1 4.495 0.008 . 1 . . . A 49 VAL HA . 18678 1 579 . 1 1 49 49 VAL HB H 1 2.245 0.008 . 1 . . . A 49 VAL HB . 18678 1 580 . 1 1 49 49 VAL HG11 H 1 0.930 0.008 . 2 . . . A 49 VAL MG1 . 18678 1 581 . 1 1 49 49 VAL HG12 H 1 0.930 0.008 . 2 . . . A 49 VAL MG1 . 18678 1 582 . 1 1 49 49 VAL HG13 H 1 0.930 0.008 . 2 . . . A 49 VAL MG1 . 18678 1 583 . 1 1 49 49 VAL HG21 H 1 0.184 0.008 . 2 . . . A 49 VAL MG2 . 18678 1 584 . 1 1 49 49 VAL HG22 H 1 0.184 0.008 . 2 . . . A 49 VAL MG2 . 18678 1 585 . 1 1 49 49 VAL HG23 H 1 0.184 0.008 . 2 . . . A 49 VAL MG2 . 18678 1 586 . 1 1 49 49 VAL C C 13 173.924 0.18 . 1 . . . A 49 VAL C . 18678 1 587 . 1 1 49 49 VAL CA C 13 61.187 0.18 . 1 . . . A 49 VAL CA . 18678 1 588 . 1 1 49 49 VAL CB C 13 33.523 0.18 . 1 . . . A 49 VAL CB . 18678 1 589 . 1 1 49 49 VAL CG1 C 13 20.918 0.18 . 2 . . . A 49 VAL CG1 . 18678 1 590 . 1 1 49 49 VAL CG2 C 13 23.088 0.18 . 2 . . . A 49 VAL CG2 . 18678 1 591 . 1 1 49 49 VAL N N 15 123.523 0.12 . 1 . . . A 49 VAL N . 18678 1 592 . 1 1 50 50 GLU H H 1 8.805 0.008 . 1 . . . A 50 GLU H . 18678 1 593 . 1 1 50 50 GLU HA H 1 4.968 0.008 . 1 . . . A 50 GLU HA . 18678 1 594 . 1 1 50 50 GLU HB2 H 1 1.900 0.008 . 2 . . . A 50 GLU HB2 . 18678 1 595 . 1 1 50 50 GLU HB3 H 1 1.948 0.008 . 2 . . . A 50 GLU HB3 . 18678 1 596 . 1 1 50 50 GLU HG2 H 1 1.948 0.008 . 2 . . . A 50 GLU HG2 . 18678 1 597 . 1 1 50 50 GLU HG3 H 1 2.200 0.008 . 2 . . . A 50 GLU HG3 . 18678 1 598 . 1 1 50 50 GLU C C 13 175.514 0.18 . 1 . . . A 50 GLU C . 18678 1 599 . 1 1 50 50 GLU CA C 13 54.680 0.18 . 1 . . . A 50 GLU CA . 18678 1 600 . 1 1 50 50 GLU CB C 13 31.885 0.18 . 1 . . . A 50 GLU CB . 18678 1 601 . 1 1 50 50 GLU CG C 13 36.033 0.18 . 1 . . . A 50 GLU CG . 18678 1 602 . 1 1 50 50 GLU N N 15 126.369 0.12 . 1 . . . A 50 GLU N . 18678 1 603 . 1 1 51 51 PHE H H 1 9.202 0.008 . 1 . . . A 51 PHE H . 18678 1 604 . 1 1 51 51 PHE HA H 1 4.700 0.008 . 1 . . . A 51 PHE HA . 18678 1 605 . 1 1 51 51 PHE HB2 H 1 3.588 0.008 . 2 . . . A 51 PHE HB2 . 18678 1 606 . 1 1 51 51 PHE HB3 H 1 3.163 0.008 . 2 . . . A 51 PHE HB3 . 18678 1 607 . 1 1 51 51 PHE HD1 H 1 7.523 0.008 . 3 . . . A 51 PHE HD1 . 18678 1 608 . 1 1 51 51 PHE HD2 H 1 7.523 0.008 . 3 . . . A 51 PHE HD2 . 18678 1 609 . 1 1 51 51 PHE HE1 H 1 6.909 0.008 . 3 . . . A 51 PHE HE1 . 18678 1 610 . 1 1 51 51 PHE HE2 H 1 6.909 0.008 . 3 . . . A 51 PHE HE2 . 18678 1 611 . 1 1 51 51 PHE HZ H 1 6.273 0.008 . 1 . . . A 51 PHE HZ . 18678 1 612 . 1 1 51 51 PHE C C 13 176.349 0.18 . 1 . . . A 51 PHE C . 18678 1 613 . 1 1 51 51 PHE CA C 13 57.777 0.18 . 1 . . . A 51 PHE CA . 18678 1 614 . 1 1 51 51 PHE CB C 13 41.013 0.18 . 1 . . . A 51 PHE CB . 18678 1 615 . 1 1 51 51 PHE CD1 C 13 130.165 0.18 . 3 . . . A 51 PHE CD1 . 18678 1 616 . 1 1 51 51 PHE CD2 C 13 130.165 0.18 . 3 . . . A 51 PHE CD2 . 18678 1 617 . 1 1 51 51 PHE CE1 C 13 128.381 0.18 . 3 . . . A 51 PHE CE1 . 18678 1 618 . 1 1 51 51 PHE CE2 C 13 128.381 0.18 . 3 . . . A 51 PHE CE2 . 18678 1 619 . 1 1 51 51 PHE CZ C 13 127.774 0.18 . 1 . . . A 51 PHE CZ . 18678 1 620 . 1 1 51 51 PHE N N 15 124.346 0.12 . 1 . . . A 51 PHE N . 18678 1 621 . 1 1 52 52 SER H H 1 9.404 0.008 . 1 . . . A 52 SER H . 18678 1 622 . 1 1 52 52 SER HA H 1 4.259 0.008 . 1 . . . A 52 SER HA . 18678 1 623 . 1 1 52 52 SER HB2 H 1 3.625 0.008 . 2 . . . A 52 SER HB2 . 18678 1 624 . 1 1 52 52 SER HB3 H 1 3.778 0.008 . 2 . . . A 52 SER HB3 . 18678 1 625 . 1 1 52 52 SER C C 13 174.418 0.18 . 1 . . . A 52 SER C . 18678 1 626 . 1 1 52 52 SER CA C 13 61.019 0.18 . 1 . . . A 52 SER CA . 18678 1 627 . 1 1 52 52 SER CB C 13 62.689 0.18 . 1 . . . A 52 SER CB . 18678 1 628 . 1 1 52 52 SER N N 15 117.163 0.12 . 1 . . . A 52 SER N . 18678 1 629 . 1 1 53 53 HIS H H 1 8.344 0.008 . 1 . . . A 53 HIS H . 18678 1 630 . 1 1 53 53 HIS HA H 1 5.082 0.008 . 1 . . . A 53 HIS HA . 18678 1 631 . 1 1 53 53 HIS HB2 H 1 3.121 0.008 . 2 . . . A 53 HIS HB2 . 18678 1 632 . 1 1 53 53 HIS HB3 H 1 3.391 0.008 . 2 . . . A 53 HIS HB3 . 18678 1 633 . 1 1 53 53 HIS HD2 H 1 7.352 0.008 . 1 . . . A 53 HIS HD2 . 18678 1 634 . 1 1 53 53 HIS CA C 13 53.920 0.18 . 1 . . . A 53 HIS CA . 18678 1 635 . 1 1 53 53 HIS CB C 13 31.362 0.18 . 1 . . . A 53 HIS CB . 18678 1 636 . 1 1 53 53 HIS CD2 C 13 118.395 0.18 . 1 . . . A 53 HIS CD2 . 18678 1 637 . 1 1 53 53 HIS N N 15 115.694 0.12 . 1 . . . A 53 HIS N . 18678 1 638 . 1 1 55 55 GLN H H 1 9.318 0.008 . 1 . . . A 55 GLN H . 18678 1 639 . 1 1 55 55 GLN HA H 1 4.160 0.008 . 1 . . . A 55 GLN HA . 18678 1 640 . 1 1 55 55 GLN HB2 H 1 2.059 0.008 . 2 . . . A 55 GLN HB2 . 18678 1 641 . 1 1 55 55 GLN HB3 H 1 2.090 0.008 . 2 . . . A 55 GLN HB3 . 18678 1 642 . 1 1 55 55 GLN HG2 H 1 2.458 0.008 . 2 . . . A 55 GLN HG2 . 18678 1 643 . 1 1 55 55 GLN HG3 H 1 2.458 0.008 . 2 . . . A 55 GLN HG3 . 18678 1 644 . 1 1 55 55 GLN HE21 H 1 7.626 0.008 . 2 . . . A 55 GLN HE21 . 18678 1 645 . 1 1 55 55 GLN HE22 H 1 6.938 0.008 . 2 . . . A 55 GLN HE22 . 18678 1 646 . 1 1 55 55 GLN C C 13 178.319 0.18 . 1 . . . A 55 GLN C . 18678 1 647 . 1 1 55 55 GLN CA C 13 58.581 0.18 . 1 . . . A 55 GLN CA . 18678 1 648 . 1 1 55 55 GLN CB C 13 27.763 0.18 . 1 . . . A 55 GLN CB . 18678 1 649 . 1 1 55 55 GLN CG C 13 33.977 0.18 . 1 . . . A 55 GLN CG . 18678 1 650 . 1 1 55 55 GLN N N 15 114.869 0.12 . 1 . . . A 55 GLN N . 18678 1 651 . 1 1 55 55 GLN NE2 N 15 111.852 0.12 . 1 . . . A 55 GLN NE2 . 18678 1 652 . 1 1 56 56 ASP H H 1 7.317 0.008 . 1 . . . A 56 ASP H . 18678 1 653 . 1 1 56 56 ASP HA H 1 4.431 0.008 . 1 . . . A 56 ASP HA . 18678 1 654 . 1 1 56 56 ASP HB2 H 1 2.961 0.008 . 2 . . . A 56 ASP HB2 . 18678 1 655 . 1 1 56 56 ASP HB3 H 1 2.642 0.008 . 2 . . . A 56 ASP HB3 . 18678 1 656 . 1 1 56 56 ASP C C 13 177.264 0.18 . 1 . . . A 56 ASP C . 18678 1 657 . 1 1 56 56 ASP CA C 13 56.687 0.18 . 1 . . . A 56 ASP CA . 18678 1 658 . 1 1 56 56 ASP CB C 13 40.770 0.18 . 1 . . . A 56 ASP CB . 18678 1 659 . 1 1 56 56 ASP N N 15 118.066 0.12 . 1 . . . A 56 ASP N . 18678 1 660 . 1 1 57 57 ALA H H 1 6.854 0.008 . 1 . . . A 57 ALA H . 18678 1 661 . 1 1 57 57 ALA HA H 1 3.002 0.008 . 1 . . . A 57 ALA HA . 18678 1 662 . 1 1 57 57 ALA HB1 H 1 1.640 0.008 . 1 . . . A 57 ALA MB . 18678 1 663 . 1 1 57 57 ALA HB2 H 1 1.640 0.008 . 1 . . . A 57 ALA MB . 18678 1 664 . 1 1 57 57 ALA HB3 H 1 1.640 0.008 . 1 . . . A 57 ALA MB . 18678 1 665 . 1 1 57 57 ALA C C 13 179.680 0.18 . 1 . . . A 57 ALA C . 18678 1 666 . 1 1 57 57 ALA CA C 13 54.739 0.18 . 1 . . . A 57 ALA CA . 18678 1 667 . 1 1 57 57 ALA CB C 13 19.064 0.18 . 1 . . . A 57 ALA CB . 18678 1 668 . 1 1 57 57 ALA N N 15 122.367 0.12 . 1 . . . A 57 ALA N . 18678 1 669 . 1 1 58 58 THR H H 1 8.326 0.008 . 1 . . . A 58 THR H . 18678 1 670 . 1 1 58 58 THR HA H 1 4.374 0.008 . 1 . . . A 58 THR HA . 18678 1 671 . 1 1 58 58 THR HB H 1 4.146 0.008 . 1 . . . A 58 THR HB . 18678 1 672 . 1 1 58 58 THR HG21 H 1 1.334 0.008 . 1 . . . A 58 THR MG . 18678 1 673 . 1 1 58 58 THR HG22 H 1 1.334 0.008 . 1 . . . A 58 THR MG . 18678 1 674 . 1 1 58 58 THR HG23 H 1 1.334 0.008 . 1 . . . A 58 THR MG . 18678 1 675 . 1 1 58 58 THR C C 13 177.296 0.18 . 1 . . . A 58 THR C . 18678 1 676 . 1 1 58 58 THR CA C 13 65.121 0.18 . 1 . . . A 58 THR CA . 18678 1 677 . 1 1 58 58 THR CB C 13 68.826 0.18 . 1 . . . A 58 THR CB . 18678 1 678 . 1 1 58 58 THR CG2 C 13 21.787 0.18 . 1 . . . A 58 THR CG2 . 18678 1 679 . 1 1 58 58 THR N N 15 111.238 0.12 . 1 . . . A 58 THR N . 18678 1 680 . 1 1 59 59 ARG H H 1 8.023 0.008 . 1 . . . A 59 ARG H . 18678 1 681 . 1 1 59 59 ARG HA H 1 4.104 0.008 . 1 . . . A 59 ARG HA . 18678 1 682 . 1 1 59 59 ARG HB2 H 1 2.052 0.008 . 2 . . . A 59 ARG HB2 . 18678 1 683 . 1 1 59 59 ARG HB3 H 1 1.969 0.008 . 2 . . . A 59 ARG HB3 . 18678 1 684 . 1 1 59 59 ARG HG2 H 1 1.845 0.008 . 2 . . . A 59 ARG HG2 . 18678 1 685 . 1 1 59 59 ARG HG3 H 1 1.721 0.008 . 2 . . . A 59 ARG HG3 . 18678 1 686 . 1 1 59 59 ARG HD2 H 1 3.293 0.008 . 2 . . . A 59 ARG HD2 . 18678 1 687 . 1 1 59 59 ARG C C 13 179.175 0.18 . 1 . . . A 59 ARG C . 18678 1 688 . 1 1 59 59 ARG CA C 13 59.260 0.18 . 1 . . . A 59 ARG CA . 18678 1 689 . 1 1 59 59 ARG CB C 13 30.033 0.18 . 1 . . . A 59 ARG CB . 18678 1 690 . 1 1 59 59 ARG CG C 13 27.637 0.18 . 1 . . . A 59 ARG CG . 18678 1 691 . 1 1 59 59 ARG CD C 13 43.530 0.18 . 1 . . . A 59 ARG CD . 18678 1 692 . 1 1 59 59 ARG N N 15 120.821 0.12 . 1 . . . A 59 ARG N . 18678 1 693 . 1 1 60 60 TRP H H 1 7.845 0.008 . 1 . . . A 60 TRP H . 18678 1 694 . 1 1 60 60 TRP HA H 1 4.311 0.008 . 1 . . . A 60 TRP HA . 18678 1 695 . 1 1 60 60 TRP HB2 H 1 3.227 0.008 . 2 . . . A 60 TRP HB2 . 18678 1 696 . 1 1 60 60 TRP HB3 H 1 3.043 0.008 . 2 . . . A 60 TRP HB3 . 18678 1 697 . 1 1 60 60 TRP HD1 H 1 7.070 0.008 . 1 . . . A 60 TRP HD1 . 18678 1 698 . 1 1 60 60 TRP HE1 H 1 10.928 0.008 . 1 . . . A 60 TRP HE1 . 18678 1 699 . 1 1 60 60 TRP HE3 H 1 7.507 0.008 . 1 . . . A 60 TRP HE3 . 18678 1 700 . 1 1 60 60 TRP HZ2 H 1 7.166 0.008 . 1 . . . A 60 TRP HZ2 . 18678 1 701 . 1 1 60 60 TRP HZ3 H 1 6.885 0.008 . 1 . . . A 60 TRP HZ3 . 18678 1 702 . 1 1 60 60 TRP HH2 H 1 6.892 0.008 . 1 . . . A 60 TRP HH2 . 18678 1 703 . 1 1 60 60 TRP CA C 13 60.560 0.18 . 1 . . . A 60 TRP CA . 18678 1 704 . 1 1 60 60 TRP CB C 13 28.317 0.18 . 1 . . . A 60 TRP CB . 18678 1 705 . 1 1 60 60 TRP CD1 C 13 124.009 0.18 . 1 . . . A 60 TRP CD1 . 18678 1 706 . 1 1 60 60 TRP CE3 C 13 118.874 0.18 . 1 . . . A 60 TRP CE3 . 18678 1 707 . 1 1 60 60 TRP CZ2 C 13 113.077 0.18 . 1 . . . A 60 TRP CZ2 . 18678 1 708 . 1 1 60 60 TRP CZ3 C 13 118.366 0.18 . 1 . . . A 60 TRP CZ3 . 18678 1 709 . 1 1 60 60 TRP CH2 C 13 121.307 0.18 . 1 . . . A 60 TRP CH2 . 18678 1 710 . 1 1 60 60 TRP N N 15 120.202 0.12 . 1 . . . A 60 TRP N . 18678 1 711 . 1 1 60 60 TRP NE1 N 15 131.100 0.12 . 1 . . . A 60 TRP NE1 . 18678 1 712 . 1 1 61 61 MET H H 1 8.227 0.008 . 1 . . . A 61 MET H . 18678 1 713 . 1 1 61 61 MET HA H 1 3.548 0.008 . 1 . . . A 61 MET HA . 18678 1 714 . 1 1 61 61 MET HB2 H 1 1.582 0.008 . 2 . . . A 61 MET HB2 . 18678 1 715 . 1 1 61 61 MET HB3 H 1 2.128 0.008 . 2 . . . A 61 MET HB3 . 18678 1 716 . 1 1 61 61 MET HG2 H 1 2.010 0.008 . 2 . . . A 61 MET HG2 . 18678 1 717 . 1 1 61 61 MET HG3 H 1 2.010 0.008 . 2 . . . A 61 MET HG3 . 18678 1 718 . 1 1 61 61 MET HE1 H 1 0.804 0.008 . 1 . . . A 61 MET ME . 18678 1 719 . 1 1 61 61 MET HE2 H 1 0.804 0.008 . 1 . . . A 61 MET ME . 18678 1 720 . 1 1 61 61 MET HE3 H 1 0.804 0.008 . 1 . . . A 61 MET ME . 18678 1 721 . 1 1 61 61 MET C C 13 179.403 0.18 . 1 . . . A 61 MET C . 18678 1 722 . 1 1 61 61 MET CA C 13 58.430 0.18 . 1 . . . A 61 MET CA . 18678 1 723 . 1 1 61 61 MET CB C 13 33.321 0.18 . 1 . . . A 61 MET CB . 18678 1 724 . 1 1 61 61 MET CG C 13 31.724 0.18 . 1 . . . A 61 MET CG . 18678 1 725 . 1 1 61 61 MET CE C 13 15.415 0.18 . 1 . . . A 61 MET CE . 18678 1 726 . 1 1 61 61 MET N N 15 117.070 0.12 . 1 . . . A 61 MET N . 18678 1 727 . 1 1 62 62 GLU H H 1 8.757 0.008 . 1 . . . A 62 GLU H . 18678 1 728 . 1 1 62 62 GLU HA H 1 4.052 0.008 . 1 . . . A 62 GLU HA . 18678 1 729 . 1 1 62 62 GLU HB2 H 1 2.068 0.008 . 2 . . . A 62 GLU HB2 . 18678 1 730 . 1 1 62 62 GLU HB3 H 1 2.120 0.008 . 2 . . . A 62 GLU HB3 . 18678 1 731 . 1 1 62 62 GLU HG2 H 1 2.511 0.008 . 2 . . . A 62 GLU HG2 . 18678 1 732 . 1 1 62 62 GLU HG3 H 1 2.511 0.008 . 2 . . . A 62 GLU HG3 . 18678 1 733 . 1 1 62 62 GLU C C 13 181.125 0.18 . 1 . . . A 62 GLU C . 18678 1 734 . 1 1 62 62 GLU CA C 13 58.573 0.18 . 1 . . . A 62 GLU CA . 18678 1 735 . 1 1 62 62 GLU CB C 13 28.932 0.18 . 1 . . . A 62 GLU CB . 18678 1 736 . 1 1 62 62 GLU CG C 13 36.344 0.18 . 1 . . . A 62 GLU CG . 18678 1 737 . 1 1 62 62 GLU N N 15 117.320 0.12 . 1 . . . A 62 GLU N . 18678 1 738 . 1 1 63 63 ALA H H 1 8.552 0.008 . 1 . . . A 63 ALA H . 18678 1 739 . 1 1 63 63 ALA HA H 1 4.178 0.008 . 1 . . . A 63 ALA HA . 18678 1 740 . 1 1 63 63 ALA HB1 H 1 1.497 0.008 . 1 . . . A 63 ALA MB . 18678 1 741 . 1 1 63 63 ALA HB2 H 1 1.497 0.008 . 1 . . . A 63 ALA MB . 18678 1 742 . 1 1 63 63 ALA HB3 H 1 1.497 0.008 . 1 . . . A 63 ALA MB . 18678 1 743 . 1 1 63 63 ALA C C 13 178.968 0.18 . 1 . . . A 63 ALA C . 18678 1 744 . 1 1 63 63 ALA CA C 13 54.500 0.18 . 1 . . . A 63 ALA CA . 18678 1 745 . 1 1 63 63 ALA CB C 13 18.451 0.18 . 1 . . . A 63 ALA CB . 18678 1 746 . 1 1 63 63 ALA N N 15 122.118 0.12 . 1 . . . A 63 ALA N . 18678 1 747 . 1 1 64 64 ASN H H 1 6.670 0.008 . 1 . . . A 64 ASN H . 18678 1 748 . 1 1 64 64 ASN HA H 1 4.651 0.008 . 1 . . . A 64 ASN HA . 18678 1 749 . 1 1 64 64 ASN HB2 H 1 1.791 0.008 . 2 . . . A 64 ASN HB2 . 18678 1 750 . 1 1 64 64 ASN HB3 H 1 3.230 0.008 . 2 . . . A 64 ASN HB3 . 18678 1 751 . 1 1 64 64 ASN HD21 H 1 6.065 0.008 . 2 . . . A 64 ASN HD21 . 18678 1 752 . 1 1 64 64 ASN HD22 H 1 7.123 0.008 . 2 . . . A 64 ASN HD22 . 18678 1 753 . 1 1 64 64 ASN CA C 13 53.258 0.18 . 1 . . . A 64 ASN CA . 18678 1 754 . 1 1 64 64 ASN CB C 13 40.313 0.18 . 1 . . . A 64 ASN CB . 18678 1 755 . 1 1 64 64 ASN N N 15 110.926 0.12 . 1 . . . A 64 ASN N . 18678 1 756 . 1 1 64 64 ASN ND2 N 15 114.516 0.12 . 1 . . . A 64 ASN ND2 . 18678 1 757 . 1 1 65 65 GLN H H 1 7.924 0.008 . 1 . . . A 65 GLN H . 18678 1 758 . 1 1 65 65 GLN HA H 1 3.906 0.008 . 1 . . . A 65 GLN HA . 18678 1 759 . 1 1 65 65 GLN HB2 H 1 2.134 0.008 . 2 . . . A 65 GLN HB2 . 18678 1 760 . 1 1 65 65 GLN HB3 H 1 2.134 0.008 . 2 . . . A 65 GLN HB3 . 18678 1 761 . 1 1 65 65 GLN HG2 H 1 2.241 0.008 . 2 . . . A 65 GLN HG2 . 18678 1 762 . 1 1 65 65 GLN HG3 H 1 2.279 0.008 . 2 . . . A 65 GLN HG3 . 18678 1 763 . 1 1 65 65 GLN HE21 H 1 6.783 0.008 . 2 . . . A 65 GLN HE21 . 18678 1 764 . 1 1 65 65 GLN HE22 H 1 7.586 0.008 . 2 . . . A 65 GLN HE22 . 18678 1 765 . 1 1 65 65 GLN C C 13 175.875 0.18 . 1 . . . A 65 GLN C . 18678 1 766 . 1 1 65 65 GLN CA C 13 57.285 0.18 . 1 . . . A 65 GLN CA . 18678 1 767 . 1 1 65 65 GLN CB C 13 26.116 0.18 . 1 . . . A 65 GLN CB . 18678 1 768 . 1 1 65 65 GLN CG C 13 34.003 0.18 . 1 . . . A 65 GLN CG . 18678 1 769 . 1 1 65 65 GLN N N 15 116.841 0.12 . 1 . . . A 65 GLN N . 18678 1 770 . 1 1 65 65 GLN NE2 N 15 112.164 0.12 . 1 . . . A 65 GLN NE2 . 18678 1 771 . 1 1 66 66 HIS H H 1 8.357 0.008 . 1 . . . A 66 HIS H . 18678 1 772 . 1 1 66 66 HIS HA H 1 4.018 0.008 . 1 . . . A 66 HIS HA . 18678 1 773 . 1 1 66 66 HIS HB2 H 1 3.495 0.008 . 2 . . . A 66 HIS HB2 . 18678 1 774 . 1 1 66 66 HIS HB3 H 1 3.366 0.008 . 2 . . . A 66 HIS HB3 . 18678 1 775 . 1 1 66 66 HIS HD2 H 1 6.886 0.008 . 1 . . . A 66 HIS HD2 . 18678 1 776 . 1 1 66 66 HIS HE1 H 1 7.180 0.008 . 1 . . . A 66 HIS HE1 . 18678 1 777 . 1 1 66 66 HIS C C 13 173.889 0.18 . 1 . . . A 66 HIS C . 18678 1 778 . 1 1 66 66 HIS CA C 13 57.146 0.18 . 1 . . . A 66 HIS CA . 18678 1 779 . 1 1 66 66 HIS CB C 13 26.461 0.18 . 1 . . . A 66 HIS CB . 18678 1 780 . 1 1 66 66 HIS CD2 C 13 116.660 0.18 . 1 . . . A 66 HIS CD2 . 18678 1 781 . 1 1 67 67 SER H H 1 7.668 0.008 . 1 . . . A 67 SER H . 18678 1 782 . 1 1 67 67 SER HA H 1 5.005 0.008 . 1 . . . A 67 SER HA . 18678 1 783 . 1 1 67 67 SER HB2 H 1 3.575 0.008 . 2 . . . A 67 SER HB2 . 18678 1 784 . 1 1 67 67 SER HB3 H 1 3.613 0.008 . 2 . . . A 67 SER HB3 . 18678 1 785 . 1 1 67 67 SER C C 13 171.719 0.18 . 1 . . . A 67 SER C . 18678 1 786 . 1 1 67 67 SER CA C 13 57.620 0.18 . 1 . . . A 67 SER CA . 18678 1 787 . 1 1 67 67 SER CB C 13 65.164 0.18 . 1 . . . A 67 SER CB . 18678 1 788 . 1 1 67 67 SER N N 15 115.496 0.12 . 1 . . . A 67 SER N . 18678 1 789 . 1 1 68 68 LEU H H 1 8.870 0.008 . 1 . . . A 68 LEU H . 18678 1 790 . 1 1 68 68 LEU HA H 1 4.679 0.008 . 1 . . . A 68 LEU HA . 18678 1 791 . 1 1 68 68 LEU HB2 H 1 1.361 0.008 . 2 . . . A 68 LEU HB2 . 18678 1 792 . 1 1 68 68 LEU HB3 H 1 1.361 0.008 . 2 . . . A 68 LEU HB3 . 18678 1 793 . 1 1 68 68 LEU HG H 1 1.443 0.008 . 1 . . . A 68 LEU HG . 18678 1 794 . 1 1 68 68 LEU HD11 H 1 0.763 0.008 . 2 . . . A 68 LEU MD1 . 18678 1 795 . 1 1 68 68 LEU HD12 H 1 0.763 0.008 . 2 . . . A 68 LEU MD1 . 18678 1 796 . 1 1 68 68 LEU HD13 H 1 0.763 0.008 . 2 . . . A 68 LEU MD1 . 18678 1 797 . 1 1 68 68 LEU HD21 H 1 0.668 0.008 . 2 . . . A 68 LEU MD2 . 18678 1 798 . 1 1 68 68 LEU HD22 H 1 0.668 0.008 . 2 . . . A 68 LEU MD2 . 18678 1 799 . 1 1 68 68 LEU HD23 H 1 0.668 0.008 . 2 . . . A 68 LEU MD2 . 18678 1 800 . 1 1 68 68 LEU C C 13 175.783 0.18 . 1 . . . A 68 LEU C . 18678 1 801 . 1 1 68 68 LEU CA C 13 52.686 0.18 . 1 . . . A 68 LEU CA . 18678 1 802 . 1 1 68 68 LEU CB C 13 46.117 0.18 . 1 . . . A 68 LEU CB . 18678 1 803 . 1 1 68 68 LEU CG C 13 26.324 0.18 . 1 . . . A 68 LEU CG . 18678 1 804 . 1 1 68 68 LEU CD1 C 13 26.820 0.18 . 2 . . . A 68 LEU CD1 . 18678 1 805 . 1 1 68 68 LEU CD2 C 13 23.380 0.18 . 2 . . . A 68 LEU CD2 . 18678 1 806 . 1 1 68 68 LEU N N 15 121.784 0.12 . 1 . . . A 68 LEU N . 18678 1 807 . 1 1 69 69 ASN H H 1 8.814 0.008 . 1 . . . A 69 ASN H . 18678 1 808 . 1 1 69 69 ASN HA H 1 5.335 0.008 . 1 . . . A 69 ASN HA . 18678 1 809 . 1 1 69 69 ASN HB2 H 1 2.633 0.008 . 2 . . . A 69 ASN HB2 . 18678 1 810 . 1 1 69 69 ASN HB3 H 1 2.553 0.008 . 2 . . . A 69 ASN HB3 . 18678 1 811 . 1 1 69 69 ASN HD21 H 1 6.604 0.008 . 2 . . . A 69 ASN HD21 . 18678 1 812 . 1 1 69 69 ASN HD22 H 1 7.373 0.008 . 2 . . . A 69 ASN HD22 . 18678 1 813 . 1 1 69 69 ASN C C 13 175.433 0.18 . 1 . . . A 69 ASN C . 18678 1 814 . 1 1 69 69 ASN CA C 13 52.053 0.18 . 1 . . . A 69 ASN CA . 18678 1 815 . 1 1 69 69 ASN CB C 13 39.740 0.18 . 1 . . . A 69 ASN CB . 18678 1 816 . 1 1 69 69 ASN N N 15 121.169 0.12 . 1 . . . A 69 ASN N . 18678 1 817 . 1 1 69 69 ASN ND2 N 15 110.957 0.12 . 1 . . . A 69 ASN ND2 . 18678 1 818 . 1 1 70 70 ILE H H 1 8.666 0.008 . 1 . . . A 70 ILE H . 18678 1 819 . 1 1 70 70 ILE HA H 1 4.338 0.008 . 1 . . . A 70 ILE HA . 18678 1 820 . 1 1 70 70 ILE HB H 1 1.622 0.008 . 1 . . . A 70 ILE HB . 18678 1 821 . 1 1 70 70 ILE HG12 H 1 1.333 0.008 . 2 . . . A 70 ILE HG12 . 18678 1 822 . 1 1 70 70 ILE HG13 H 1 1.100 0.008 . 2 . . . A 70 ILE HG13 . 18678 1 823 . 1 1 70 70 ILE HG21 H 1 0.777 0.008 . 1 . . . A 70 ILE MG . 18678 1 824 . 1 1 70 70 ILE HG22 H 1 0.777 0.008 . 1 . . . A 70 ILE MG . 18678 1 825 . 1 1 70 70 ILE HG23 H 1 0.777 0.008 . 1 . . . A 70 ILE MG . 18678 1 826 . 1 1 70 70 ILE HD11 H 1 0.704 0.008 . 1 . . . A 70 ILE MD . 18678 1 827 . 1 1 70 70 ILE HD12 H 1 0.704 0.008 . 1 . . . A 70 ILE MD . 18678 1 828 . 1 1 70 70 ILE HD13 H 1 0.704 0.008 . 1 . . . A 70 ILE MD . 18678 1 829 . 1 1 70 70 ILE C C 13 174.972 0.18 . 1 . . . A 70 ILE C . 18678 1 830 . 1 1 70 70 ILE CA C 13 59.046 0.18 . 1 . . . A 70 ILE CA . 18678 1 831 . 1 1 70 70 ILE CB C 13 39.594 0.18 . 1 . . . A 70 ILE CB . 18678 1 832 . 1 1 70 70 ILE CG1 C 13 26.759 0.18 . 1 . . . A 70 ILE CG1 . 18678 1 833 . 1 1 70 70 ILE CG2 C 13 17.095 0.18 . 1 . . . A 70 ILE CG2 . 18678 1 834 . 1 1 70 70 ILE CD1 C 13 12.137 0.18 . 1 . . . A 70 ILE CD1 . 18678 1 835 . 1 1 70 70 ILE N N 15 123.143 0.12 . 1 . . . A 70 ILE N . 18678 1 836 . 1 1 71 71 LEU H H 1 9.455 0.008 . 1 . . . A 71 LEU H . 18678 1 837 . 1 1 71 71 LEU HA H 1 3.949 0.008 . 1 . . . A 71 LEU HA . 18678 1 838 . 1 1 71 71 LEU HB2 H 1 1.704 0.008 . 2 . . . A 71 LEU HB2 . 18678 1 839 . 1 1 71 71 LEU HB3 H 1 1.825 0.008 . 2 . . . A 71 LEU HB3 . 18678 1 840 . 1 1 71 71 LEU HG H 1 1.531 0.008 . 1 . . . A 71 LEU HG . 18678 1 841 . 1 1 71 71 LEU HD11 H 1 0.893 0.008 . 2 . . . A 71 LEU MD1 . 18678 1 842 . 1 1 71 71 LEU HD12 H 1 0.893 0.008 . 2 . . . A 71 LEU MD1 . 18678 1 843 . 1 1 71 71 LEU HD13 H 1 0.893 0.008 . 2 . . . A 71 LEU MD1 . 18678 1 844 . 1 1 71 71 LEU HD21 H 1 0.810 0.008 . 2 . . . A 71 LEU MD2 . 18678 1 845 . 1 1 71 71 LEU HD22 H 1 0.810 0.008 . 2 . . . A 71 LEU MD2 . 18678 1 846 . 1 1 71 71 LEU HD23 H 1 0.810 0.008 . 2 . . . A 71 LEU MD2 . 18678 1 847 . 1 1 71 71 LEU C C 13 177.516 0.18 . 1 . . . A 71 LEU C . 18678 1 848 . 1 1 71 71 LEU CA C 13 55.122 0.18 . 1 . . . A 71 LEU CA . 18678 1 849 . 1 1 71 71 LEU CB C 13 39.364 0.18 . 1 . . . A 71 LEU CB . 18678 1 850 . 1 1 71 71 LEU CG C 13 27.123 0.18 . 1 . . . A 71 LEU CG . 18678 1 851 . 1 1 71 71 LEU CD1 C 13 22.324 0.18 . 2 . . . A 71 LEU CD1 . 18678 1 852 . 1 1 71 71 LEU CD2 C 13 25.403 0.18 . 2 . . . A 71 LEU CD2 . 18678 1 853 . 1 1 71 71 LEU N N 15 124.509 0.12 . 1 . . . A 71 LEU N . 18678 1 854 . 1 1 72 72 GLY H H 1 8.277 0.008 . 1 . . . A 72 GLY H . 18678 1 855 . 1 1 72 72 GLY HA2 H 1 3.687 0.008 . 2 . . . A 72 GLY HA2 . 18678 1 856 . 1 1 72 72 GLY HA3 H 1 4.138 0.008 . 2 . . . A 72 GLY HA3 . 18678 1 857 . 1 1 72 72 GLY CA C 13 45.622 0.18 . 1 . . . A 72 GLY CA . 18678 1 858 . 1 1 72 72 GLY N N 15 103.495 0.12 . 1 . . . A 72 GLY N . 18678 1 859 . 1 1 73 73 GLN H H 1 7.942 0.008 . 1 . . . A 73 GLN H . 18678 1 860 . 1 1 73 73 GLN HA H 1 4.594 0.008 . 1 . . . A 73 GLN HA . 18678 1 861 . 1 1 73 73 GLN HB2 H 1 1.931 0.008 . 2 . . . A 73 GLN HB2 . 18678 1 862 . 1 1 73 73 GLN HB3 H 1 2.226 0.008 . 2 . . . A 73 GLN HB3 . 18678 1 863 . 1 1 73 73 GLN HG2 H 1 2.434 0.008 . 2 . . . A 73 GLN HG2 . 18678 1 864 . 1 1 73 73 GLN HG3 H 1 2.314 0.008 . 2 . . . A 73 GLN HG3 . 18678 1 865 . 1 1 73 73 GLN HE21 H 1 7.795 0.008 . 2 . . . A 73 GLN HE21 . 18678 1 866 . 1 1 73 73 GLN HE22 H 1 7.050 0.008 . 2 . . . A 73 GLN HE22 . 18678 1 867 . 1 1 73 73 GLN CA C 13 53.365 0.18 . 1 . . . A 73 GLN CA . 18678 1 868 . 1 1 73 73 GLN CB C 13 31.230 0.18 . 1 . . . A 73 GLN CB . 18678 1 869 . 1 1 73 73 GLN CG C 13 33.712 0.18 . 1 . . . A 73 GLN CG . 18678 1 870 . 1 1 73 73 GLN N N 15 120.834 0.12 . 1 . . . A 73 GLN N . 18678 1 871 . 1 1 73 73 GLN NE2 N 15 113.593 0.12 . 1 . . . A 73 GLN NE2 . 18678 1 872 . 1 1 74 74 LYS H H 1 8.396 0.008 . 1 . . . A 74 LYS H . 18678 1 873 . 1 1 74 74 LYS HA H 1 4.613 0.008 . 1 . . . A 74 LYS HA . 18678 1 874 . 1 1 74 74 LYS HB2 H 1 1.700 0.008 . 2 . . . A 74 LYS HB2 . 18678 1 875 . 1 1 74 74 LYS HB3 H 1 1.741 0.008 . 2 . . . A 74 LYS HB3 . 18678 1 876 . 1 1 74 74 LYS HG2 H 1 1.430 0.008 . 2 . . . A 74 LYS HG2 . 18678 1 877 . 1 1 74 74 LYS HG3 H 1 1.292 0.008 . 2 . . . A 74 LYS HG3 . 18678 1 878 . 1 1 74 74 LYS HD2 H 1 1.640 0.008 . 2 . . . A 74 LYS HD2 . 18678 1 879 . 1 1 74 74 LYS HD3 H 1 1.640 0.008 . 2 . . . A 74 LYS HD3 . 18678 1 880 . 1 1 74 74 LYS HE2 H 1 2.955 0.008 . 2 . . . A 74 LYS HE2 . 18678 1 881 . 1 1 74 74 LYS HE3 H 1 2.955 0.008 . 2 . . . A 74 LYS HE3 . 18678 1 882 . 1 1 74 74 LYS C C 13 176.266 0.18 . 1 . . . A 74 LYS C . 18678 1 883 . 1 1 74 74 LYS CA C 13 56.633 0.18 . 1 . . . A 74 LYS CA . 18678 1 884 . 1 1 74 74 LYS CB C 13 32.247 0.18 . 1 . . . A 74 LYS CB . 18678 1 885 . 1 1 74 74 LYS CG C 13 24.735 0.18 . 1 . . . A 74 LYS CG . 18678 1 886 . 1 1 74 74 LYS CD C 13 29.103 0.18 . 1 . . . A 74 LYS CD . 18678 1 887 . 1 1 74 74 LYS CE C 13 41.759 0.18 . 1 . . . A 74 LYS CE . 18678 1 888 . 1 1 74 74 LYS N N 15 123.321 0.12 . 1 . . . A 74 LYS N . 18678 1 889 . 1 1 75 75 VAL H H 1 9.162 0.008 . 1 . . . A 75 VAL H . 18678 1 890 . 1 1 75 75 VAL HA H 1 4.468 0.008 . 1 . . . A 75 VAL HA . 18678 1 891 . 1 1 75 75 VAL HB H 1 1.924 0.008 . 1 . . . A 75 VAL HB . 18678 1 892 . 1 1 75 75 VAL HG11 H 1 0.913 0.008 . 2 . . . A 75 VAL MG1 . 18678 1 893 . 1 1 75 75 VAL HG12 H 1 0.913 0.008 . 2 . . . A 75 VAL MG1 . 18678 1 894 . 1 1 75 75 VAL HG13 H 1 0.913 0.008 . 2 . . . A 75 VAL MG1 . 18678 1 895 . 1 1 75 75 VAL HG21 H 1 0.938 0.008 . 2 . . . A 75 VAL MG2 . 18678 1 896 . 1 1 75 75 VAL HG22 H 1 0.938 0.008 . 2 . . . A 75 VAL MG2 . 18678 1 897 . 1 1 75 75 VAL HG23 H 1 0.938 0.008 . 2 . . . A 75 VAL MG2 . 18678 1 898 . 1 1 75 75 VAL C C 13 175.962 0.18 . 1 . . . A 75 VAL C . 18678 1 899 . 1 1 75 75 VAL CA C 13 60.660 0.18 . 1 . . . A 75 VAL CA . 18678 1 900 . 1 1 75 75 VAL CB C 13 34.894 0.18 . 1 . . . A 75 VAL CB . 18678 1 901 . 1 1 75 75 VAL CG1 C 13 21.760 0.18 . 2 . . . A 75 VAL CG1 . 18678 1 902 . 1 1 75 75 VAL CG2 C 13 21.913 0.18 . 2 . . . A 75 VAL CG2 . 18678 1 903 . 1 1 75 75 VAL N N 15 129.132 0.12 . 1 . . . A 75 VAL N . 18678 1 904 . 1 1 76 76 SER H H 1 8.170 0.008 . 1 . . . A 76 SER H . 18678 1 905 . 1 1 76 76 SER HA H 1 4.628 0.008 . 1 . . . A 76 SER HA . 18678 1 906 . 1 1 76 76 SER HB2 H 1 4.002 0.008 . 2 . . . A 76 SER HB2 . 18678 1 907 . 1 1 76 76 SER HB3 H 1 3.818 0.008 . 2 . . . A 76 SER HB3 . 18678 1 908 . 1 1 76 76 SER C C 13 173.163 0.18 . 1 . . . A 76 SER C . 18678 1 909 . 1 1 76 76 SER CA C 13 57.676 0.18 . 1 . . . A 76 SER CA . 18678 1 910 . 1 1 76 76 SER CB C 13 64.183 0.18 . 1 . . . A 76 SER CB . 18678 1 911 . 1 1 76 76 SER N N 15 120.884 0.12 . 1 . . . A 76 SER N . 18678 1 912 . 1 1 77 77 MET H H 1 7.189 0.008 . 1 . . . A 77 MET H . 18678 1 913 . 1 1 77 77 MET HA H 1 5.023 0.008 . 1 . . . A 77 MET HA . 18678 1 914 . 1 1 77 77 MET HB2 H 1 1.885 0.008 . 2 . . . A 77 MET HB2 . 18678 1 915 . 1 1 77 77 MET HB3 H 1 1.552 0.008 . 2 . . . A 77 MET HB3 . 18678 1 916 . 1 1 77 77 MET HG2 H 1 1.674 0.008 . 2 . . . A 77 MET HG2 . 18678 1 917 . 1 1 77 77 MET HG3 H 1 1.208 0.008 . 2 . . . A 77 MET HG3 . 18678 1 918 . 1 1 77 77 MET HE1 H 1 0.496 0.008 . 1 . . . A 77 MET ME . 18678 1 919 . 1 1 77 77 MET HE2 H 1 0.496 0.008 . 1 . . . A 77 MET ME . 18678 1 920 . 1 1 77 77 MET HE3 H 1 0.496 0.008 . 1 . . . A 77 MET ME . 18678 1 921 . 1 1 77 77 MET C C 13 175.582 0.18 . 1 . . . A 77 MET C . 18678 1 922 . 1 1 77 77 MET CA C 13 53.744 0.18 . 1 . . . A 77 MET CA . 18678 1 923 . 1 1 77 77 MET CB C 13 31.202 0.18 . 1 . . . A 77 MET CB . 18678 1 924 . 1 1 77 77 MET CG C 13 37.578 0.18 . 1 . . . A 77 MET CG . 18678 1 925 . 1 1 77 77 MET CE C 13 16.577 0.18 . 1 . . . A 77 MET CE . 18678 1 926 . 1 1 77 77 MET N N 15 116.658 0.12 . 1 . . . A 77 MET N . 18678 1 927 . 1 1 78 78 HIS H H 1 8.773 0.008 . 1 . . . A 78 HIS H . 18678 1 928 . 1 1 78 78 HIS HA H 1 4.620 0.008 . 1 . . . A 78 HIS HA . 18678 1 929 . 1 1 78 78 HIS HB2 H 1 3.255 0.008 . 2 . . . A 78 HIS HB2 . 18678 1 930 . 1 1 78 78 HIS HB3 H 1 2.702 0.008 . 2 . . . A 78 HIS HB3 . 18678 1 931 . 1 1 78 78 HIS HD2 H 1 6.652 0.008 . 1 . . . A 78 HIS HD2 . 18678 1 932 . 1 1 78 78 HIS CA C 13 54.280 0.18 . 1 . . . A 78 HIS CA . 18678 1 933 . 1 1 78 78 HIS CB C 13 33.116 0.18 . 1 . . . A 78 HIS CB . 18678 1 934 . 1 1 78 78 HIS CD2 C 13 123.216 0.18 . 1 . . . A 78 HIS CD2 . 18678 1 935 . 1 1 78 78 HIS N N 15 118.935 0.12 . 1 . . . A 78 HIS N . 18678 1 936 . 1 1 79 79 TYR H H 1 9.173 0.008 . 1 . . . A 79 TYR H . 18678 1 937 . 1 1 79 79 TYR HA H 1 4.936 0.008 . 1 . . . A 79 TYR HA . 18678 1 938 . 1 1 79 79 TYR HB2 H 1 3.144 0.008 . 2 . . . A 79 TYR HB2 . 18678 1 939 . 1 1 79 79 TYR HB3 H 1 2.816 0.008 . 2 . . . A 79 TYR HB3 . 18678 1 940 . 1 1 79 79 TYR HD1 H 1 7.380 0.008 . 3 . . . A 79 TYR HD1 . 18678 1 941 . 1 1 79 79 TYR HD2 H 1 7.380 0.008 . 3 . . . A 79 TYR HD2 . 18678 1 942 . 1 1 79 79 TYR HE1 H 1 6.846 0.008 . 3 . . . A 79 TYR HE1 . 18678 1 943 . 1 1 79 79 TYR HE2 H 1 6.846 0.008 . 3 . . . A 79 TYR HE2 . 18678 1 944 . 1 1 79 79 TYR CA C 13 59.776 0.18 . 1 . . . A 79 TYR CA . 18678 1 945 . 1 1 79 79 TYR CB C 13 38.656 0.18 . 1 . . . A 79 TYR CB . 18678 1 946 . 1 1 79 79 TYR CD1 C 13 131.723 0.18 . 3 . . . A 79 TYR CD1 . 18678 1 947 . 1 1 79 79 TYR CD2 C 13 131.727 0.18 . 3 . . . A 79 TYR CD2 . 18678 1 948 . 1 1 79 79 TYR CE1 C 13 116.679 0.18 . 3 . . . A 79 TYR CE1 . 18678 1 949 . 1 1 79 79 TYR CE2 C 13 116.679 0.18 . 3 . . . A 79 TYR CE2 . 18678 1 950 . 1 1 79 79 TYR N N 15 123.286 0.12 . 1 . . . A 79 TYR N . 18678 1 951 . 1 1 80 80 SER H H 1 8.816 0.008 . 1 . . . A 80 SER H . 18678 1 952 . 1 1 80 80 SER HA H 1 4.774 0.008 . 1 . . . A 80 SER HA . 18678 1 953 . 1 1 80 80 SER HB2 H 1 3.777 0.008 . 2 . . . A 80 SER HB2 . 18678 1 954 . 1 1 80 80 SER HB3 H 1 3.812 0.008 . 2 . . . A 80 SER HB3 . 18678 1 955 . 1 1 80 80 SER CA C 13 59.794 0.18 . 1 . . . A 80 SER CA . 18678 1 956 . 1 1 80 80 SER CB C 13 64.856 0.18 . 1 . . . A 80 SER CB . 18678 1 957 . 1 1 80 80 SER N N 15 116.971 0.12 . 1 . . . A 80 SER N . 18678 1 958 . 1 1 81 81 ASP H H 1 8.616 0.008 . 1 . . . A 81 ASP H . 18678 1 959 . 1 1 81 81 ASP HA H 1 4.934 0.008 . 1 . . . A 81 ASP HA . 18678 1 960 . 1 1 81 81 ASP HB2 H 1 2.774 0.008 . 2 . . . A 81 ASP HB2 . 18678 1 961 . 1 1 81 81 ASP HB3 H 1 2.527 0.008 . 2 . . . A 81 ASP HB3 . 18678 1 962 . 1 1 81 81 ASP CA C 13 52.846 0.18 . 1 . . . A 81 ASP CA . 18678 1 963 . 1 1 81 81 ASP CB C 13 40.937 0.18 . 1 . . . A 81 ASP CB . 18678 1 964 . 1 1 81 81 ASP N N 15 126.144 0.12 . 1 . . . A 81 ASP N . 18678 1 965 . 1 1 82 82 PRO HA H 1 4.341 0.008 . 1 . . . A 82 PRO HA . 18678 1 966 . 1 1 82 82 PRO HB2 H 1 2.265 0.008 . 2 . . . A 82 PRO HB2 . 18678 1 967 . 1 1 82 82 PRO HB3 H 1 1.923 0.008 . 2 . . . A 82 PRO HB3 . 18678 1 968 . 1 1 82 82 PRO HG2 H 1 2.033 0.008 . 2 . . . A 82 PRO HG2 . 18678 1 969 . 1 1 82 82 PRO HG3 H 1 2.013 0.008 . 2 . . . A 82 PRO HG3 . 18678 1 970 . 1 1 82 82 PRO HD2 H 1 3.848 0.008 . 2 . . . A 82 PRO HD2 . 18678 1 971 . 1 1 82 82 PRO HD3 H 1 3.780 0.008 . 2 . . . A 82 PRO HD3 . 18678 1 972 . 1 1 82 82 PRO CA C 13 63.397 0.18 . 1 . . . A 82 PRO CA . 18678 1 973 . 1 1 82 82 PRO CB C 13 31.988 0.18 . 1 . . . A 82 PRO CB . 18678 1 974 . 1 1 82 82 PRO CG C 13 27.320 0.18 . 1 . . . A 82 PRO CG . 18678 1 975 . 1 1 82 82 PRO CD C 13 50.304 0.18 . 1 . . . A 82 PRO CD . 18678 1 976 . 1 1 83 83 LYS H H 1 8.283 0.008 . 1 . . . A 83 LYS H . 18678 1 977 . 1 1 83 83 LYS HA H 1 4.510 0.008 . 1 . . . A 83 LYS HA . 18678 1 978 . 1 1 83 83 LYS HB2 H 1 1.647 0.008 . 2 . . . A 83 LYS HB2 . 18678 1 979 . 1 1 83 83 LYS HB3 H 1 1.745 0.008 . 2 . . . A 83 LYS HB3 . 18678 1 980 . 1 1 83 83 LYS HG2 H 1 1.357 0.008 . 2 . . . A 83 LYS HG2 . 18678 1 981 . 1 1 83 83 LYS HG3 H 1 1.357 0.008 . 2 . . . A 83 LYS HG3 . 18678 1 982 . 1 1 83 83 LYS HD2 H 1 1.647 0.008 . 2 . . . A 83 LYS HD2 . 18678 1 983 . 1 1 83 83 LYS HD3 H 1 1.647 0.008 . 2 . . . A 83 LYS HD3 . 18678 1 984 . 1 1 83 83 LYS HE3 H 1 2.953 0.008 . 2 . . . A 83 LYS HE3 . 18678 1 985 . 1 1 83 83 LYS CA C 13 53.831 0.18 . 1 . . . A 83 LYS CA . 18678 1 986 . 1 1 83 83 LYS CB C 13 32.353 0.18 . 1 . . . A 83 LYS CB . 18678 1 987 . 1 1 83 83 LYS CG C 13 24.501 0.18 . 1 . . . A 83 LYS CG . 18678 1 988 . 1 1 83 83 LYS CD C 13 28.936 0.18 . 1 . . . A 83 LYS CD . 18678 1 989 . 1 1 83 83 LYS CE C 13 41.896 0.18 . 1 . . . A 83 LYS CE . 18678 1 990 . 1 1 83 83 LYS N N 15 120.620 0.12 . 1 . . . A 83 LYS N . 18678 1 991 . 1 1 84 84 PRO HA H 1 4.333 0.008 . 1 . . . A 84 PRO HA . 18678 1 992 . 1 1 84 84 PRO HB2 H 1 2.191 0.008 . 2 . . . A 84 PRO HB2 . 18678 1 993 . 1 1 84 84 PRO HB3 H 1 1.808 0.008 . 2 . . . A 84 PRO HB3 . 18678 1 994 . 1 1 84 84 PRO HG2 H 1 1.898 0.008 . 2 . . . A 84 PRO HG2 . 18678 1 995 . 1 1 84 84 PRO HG3 H 1 1.898 0.008 . 2 . . . A 84 PRO HG3 . 18678 1 996 . 1 1 84 84 PRO HD2 H 1 3.670 0.008 . 2 . . . A 84 PRO HD2 . 18678 1 997 . 1 1 84 84 PRO HD3 H 1 3.519 0.008 . 2 . . . A 84 PRO HD3 . 18678 1 998 . 1 1 84 84 PRO CA C 13 62.995 0.18 . 1 . . . A 84 PRO CA . 18678 1 999 . 1 1 84 84 PRO CB C 13 32.018 0.18 . 1 . . . A 84 PRO CB . 18678 1 1000 . 1 1 84 84 PRO CG C 13 27.187 0.18 . 1 . . . A 84 PRO CG . 18678 1 1001 . 1 1 84 84 PRO CD C 13 50.090 0.18 . 1 . . . A 84 PRO CD . 18678 1 1002 . 1 1 85 85 LYS H H 1 8.381 0.008 . 1 . . . A 85 LYS H . 18678 1 1003 . 1 1 85 85 LYS HA H 1 4.285 0.008 . 1 . . . A 85 LYS HA . 18678 1 1004 . 1 1 85 85 LYS HB2 H 1 1.801 0.008 . 2 . . . A 85 LYS HB2 . 18678 1 1005 . 1 1 85 85 LYS HB3 H 1 1.707 0.008 . 2 . . . A 85 LYS HB3 . 18678 1 1006 . 1 1 85 85 LYS CA C 13 55.948 0.18 . 1 . . . A 85 LYS CA . 18678 1 1007 . 1 1 85 85 LYS CB C 13 32.472 0.18 . 1 . . . A 85 LYS CB . 18678 1 1008 . 1 1 85 85 LYS CG C 13 24.739 0.18 . 1 . . . A 85 LYS CG . 18678 1 1009 . 1 1 85 85 LYS CE C 13 41.897 0.18 . 1 . . . A 85 LYS CE . 18678 1 1010 . 1 1 85 85 LYS N N 15 120.823 0.12 . 1 . . . A 85 LYS N . 18678 1 1011 . 1 1 86 86 ILE H H 1 8.079 0.008 . 1 . . . A 86 ILE H . 18678 1 1012 . 1 1 86 86 ILE HA H 1 4.102 0.008 . 1 . . . A 86 ILE HA . 18678 1 1013 . 1 1 86 86 ILE HB H 1 1.843 0.008 . 1 . . . A 86 ILE HB . 18678 1 1014 . 1 1 86 86 ILE HG12 H 1 1.398 0.008 . 2 . . . A 86 ILE HG12 . 18678 1 1015 . 1 1 86 86 ILE HG13 H 1 1.137 0.008 . 2 . . . A 86 ILE HG13 . 18678 1 1016 . 1 1 86 86 ILE HG21 H 1 0.858 0.008 . 1 . . . A 86 ILE MG . 18678 1 1017 . 1 1 86 86 ILE HG22 H 1 0.858 0.008 . 1 . . . A 86 ILE MG . 18678 1 1018 . 1 1 86 86 ILE HG23 H 1 0.858 0.008 . 1 . . . A 86 ILE MG . 18678 1 1019 . 1 1 86 86 ILE HD11 H 1 0.821 0.008 . 1 . . . A 86 ILE MD . 18678 1 1020 . 1 1 86 86 ILE HD12 H 1 0.821 0.008 . 1 . . . A 86 ILE MD . 18678 1 1021 . 1 1 86 86 ILE HD13 H 1 0.821 0.008 . 1 . . . A 86 ILE MD . 18678 1 1022 . 1 1 86 86 ILE C C 13 176.041 0.18 . 1 . . . A 86 ILE C . 18678 1 1023 . 1 1 86 86 ILE CA C 13 60.953 0.18 . 1 . . . A 86 ILE CA . 18678 1 1024 . 1 1 86 86 ILE CB C 13 38.722 0.18 . 1 . . . A 86 ILE CB . 18678 1 1025 . 1 1 86 86 ILE CG1 C 13 27.112 0.18 . 1 . . . A 86 ILE CG1 . 18678 1 1026 . 1 1 86 86 ILE CG2 C 13 17.403 0.18 . 1 . . . A 86 ILE CG2 . 18678 1 1027 . 1 1 86 86 ILE CD1 C 13 12.918 0.18 . 1 . . . A 86 ILE CD1 . 18678 1 1028 . 1 1 86 86 ILE N N 15 120.360 0.12 . 1 . . . A 86 ILE N . 18678 1 1029 . 1 1 87 87 ASN H H 1 8.248 0.008 . 1 . . . A 87 ASN H . 18678 1 1030 . 1 1 87 87 ASN HA H 1 4.594 0.008 . 1 . . . A 87 ASN HA . 18678 1 1031 . 1 1 87 87 ASN HB2 H 1 2.666 0.008 . 2 . . . A 87 ASN HB2 . 18678 1 1032 . 1 1 87 87 ASN HB3 H 1 2.700 0.008 . 2 . . . A 87 ASN HB3 . 18678 1 1033 . 1 1 87 87 ASN HD21 H 1 6.892 0.008 . 2 . . . A 87 ASN HD21 . 18678 1 1034 . 1 1 87 87 ASN HD22 H 1 7.501 0.008 . 2 . . . A 87 ASN HD22 . 18678 1 1035 . 1 1 87 87 ASN C C 13 175.538 0.18 . 1 . . . A 87 ASN C . 18678 1 1036 . 1 1 87 87 ASN CA C 13 53.100 0.18 . 1 . . . A 87 ASN CA . 18678 1 1037 . 1 1 87 87 ASN CB C 13 38.486 0.18 . 1 . . . A 87 ASN CB . 18678 1 1038 . 1 1 87 87 ASN N N 15 120.781 0.12 . 1 . . . A 87 ASN N . 18678 1 1039 . 1 1 87 87 ASN ND2 N 15 112.251 0.12 . 1 . . . A 87 ASN ND2 . 18678 1 1040 . 1 1 88 88 GLU H H 1 8.308 0.008 . 1 . . . A 88 GLU H . 18678 1 1041 . 1 1 88 88 GLU HA H 1 4.117 0.008 . 1 . . . A 88 GLU HA . 18678 1 1042 . 1 1 88 88 GLU HB2 H 1 1.801 0.008 . 2 . . . A 88 GLU HB2 . 18678 1 1043 . 1 1 88 88 GLU HB3 H 1 1.875 0.008 . 2 . . . A 88 GLU HB3 . 18678 1 1044 . 1 1 88 88 GLU HG2 H 1 2.166 0.008 . 2 . . . A 88 GLU HG2 . 18678 1 1045 . 1 1 88 88 GLU HG3 H 1 2.166 0.008 . 2 . . . A 88 GLU HG3 . 18678 1 1046 . 1 1 88 88 GLU C C 13 176.544 0.18 . 1 . . . A 88 GLU C . 18678 1 1047 . 1 1 88 88 GLU CA C 13 56.689 0.18 . 1 . . . A 88 GLU CA . 18678 1 1048 . 1 1 88 88 GLU CB C 13 29.867 0.18 . 1 . . . A 88 GLU CB . 18678 1 1049 . 1 1 88 88 GLU CG C 13 36.162 0.18 . 1 . . . A 88 GLU CG . 18678 1 1050 . 1 1 88 88 GLU N N 15 120.312 0.12 . 1 . . . A 88 GLU N . 18678 1 1051 . 1 1 89 89 ASP H H 1 8.251 0.008 . 1 . . . A 89 ASP H . 18678 1 1052 . 1 1 89 89 ASP HA H 1 4.572 0.008 . 1 . . . A 89 ASP HA . 18678 1 1053 . 1 1 89 89 ASP HB2 H 1 2.615 0.008 . 2 . . . A 89 ASP HB2 . 18678 1 1054 . 1 1 89 89 ASP HB3 H 1 2.577 0.008 . 2 . . . A 89 ASP HB3 . 18678 1 1055 . 1 1 89 89 ASP C C 13 176.214 0.18 . 1 . . . A 89 ASP C . 18678 1 1056 . 1 1 89 89 ASP CA C 13 54.299 0.18 . 1 . . . A 89 ASP CA . 18678 1 1057 . 1 1 89 89 ASP CB C 13 40.903 0.18 . 1 . . . A 89 ASP CB . 18678 1 1058 . 1 1 89 89 ASP N N 15 119.372 0.12 . 1 . . . A 89 ASP N . 18678 1 1059 . 1 1 90 90 TRP H H 1 7.906 0.008 . 1 . . . A 90 TRP H . 18678 1 1060 . 1 1 90 90 TRP HA H 1 4.704 0.008 . 1 . . . A 90 TRP HA . 18678 1 1061 . 1 1 90 90 TRP HB2 H 1 3.213 0.008 . 2 . . . A 90 TRP HB2 . 18678 1 1062 . 1 1 90 90 TRP HB3 H 1 3.306 0.008 . 2 . . . A 90 TRP HB3 . 18678 1 1063 . 1 1 90 90 TRP HD1 H 1 7.179 0.008 . 1 . . . A 90 TRP HD1 . 18678 1 1064 . 1 1 90 90 TRP HE1 H 1 10.120 0.008 . 1 . . . A 90 TRP HE1 . 18678 1 1065 . 1 1 90 90 TRP HE3 H 1 7.558 0.008 . 1 . . . A 90 TRP HE3 . 18678 1 1066 . 1 1 90 90 TRP HZ2 H 1 7.405 0.008 . 1 . . . A 90 TRP HZ2 . 18678 1 1067 . 1 1 90 90 TRP HZ3 H 1 7.056 0.008 . 1 . . . A 90 TRP HZ3 . 18678 1 1068 . 1 1 90 90 TRP HH2 H 1 7.138 0.008 . 1 . . . A 90 TRP HH2 . 18678 1 1069 . 1 1 90 90 TRP C C 13 175.397 0.18 . 1 . . . A 90 TRP C . 18678 1 1070 . 1 1 90 90 TRP CA C 13 56.397 0.18 . 1 . . . A 90 TRP CA . 18678 1 1071 . 1 1 90 90 TRP CB C 13 29.410 0.18 . 1 . . . A 90 TRP CB . 18678 1 1072 . 1 1 90 90 TRP CD1 C 13 124.705 0.18 . 1 . . . A 90 TRP CD1 . 18678 1 1073 . 1 1 90 90 TRP CE3 C 13 118.897 0.18 . 1 . . . A 90 TRP CE3 . 18678 1 1074 . 1 1 90 90 TRP CZ2 C 13 112.535 0.18 . 1 . . . A 90 TRP CZ2 . 18678 1 1075 . 1 1 90 90 TRP CZ3 C 13 119.862 0.18 . 1 . . . A 90 TRP CZ3 . 18678 1 1076 . 1 1 90 90 TRP CH2 C 13 122.469 0.18 . 1 . . . A 90 TRP CH2 . 18678 1 1077 . 1 1 90 90 TRP N N 15 119.715 0.12 . 1 . . . A 90 TRP N . 18678 1 1078 . 1 1 90 90 TRP NE1 N 15 128.767 0.12 . 1 . . . A 90 TRP NE1 . 18678 1 1079 . 1 1 91 91 LEU H H 1 7.545 0.008 . 1 . . . A 91 LEU H . 18678 1 1080 . 1 1 91 91 LEU HA H 1 4.170 0.008 . 1 . . . A 91 LEU HA . 18678 1 1081 . 1 1 91 91 LEU HB2 H 1 1.525 0.008 . 2 . . . A 91 LEU HB2 . 18678 1 1082 . 1 1 91 91 LEU HB3 H 1 1.525 0.008 . 2 . . . A 91 LEU HB3 . 18678 1 1083 . 1 1 91 91 LEU HG H 1 1.436 0.008 . 1 . . . A 91 LEU HG . 18678 1 1084 . 1 1 91 91 LEU HD11 H 1 0.847 0.008 . 2 . . . A 91 LEU MD1 . 18678 1 1085 . 1 1 91 91 LEU HD12 H 1 0.847 0.008 . 2 . . . A 91 LEU MD1 . 18678 1 1086 . 1 1 91 91 LEU HD13 H 1 0.847 0.008 . 2 . . . A 91 LEU MD1 . 18678 1 1087 . 1 1 91 91 LEU HD21 H 1 0.809 0.008 . 2 . . . A 91 LEU MD2 . 18678 1 1088 . 1 1 91 91 LEU HD22 H 1 0.809 0.008 . 2 . . . A 91 LEU MD2 . 18678 1 1089 . 1 1 91 91 LEU HD23 H 1 0.809 0.008 . 2 . . . A 91 LEU MD2 . 18678 1 1090 . 1 1 91 91 LEU CA C 13 56.547 0.18 . 1 . . . A 91 LEU CA . 18678 1 1091 . 1 1 91 91 LEU CB C 13 43.401 0.18 . 1 . . . A 91 LEU CB . 18678 1 1092 . 1 1 91 91 LEU CG C 13 26.939 0.18 . 1 . . . A 91 LEU CG . 18678 1 1093 . 1 1 91 91 LEU CD1 C 13 25.228 0.18 . 2 . . . A 91 LEU CD1 . 18678 1 1094 . 1 1 91 91 LEU CD2 C 13 23.566 0.18 . 2 . . . A 91 LEU CD2 . 18678 1 1095 . 1 1 91 91 LEU N N 15 127.427 0.12 . 1 . . . A 91 LEU N . 18678 1 stop_ save_