data_16680 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16680 _Entry.Title ; Solution structure of human stem cell transcription factor Nanog ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-01-15 _Entry.Accession_date 2010-01-15 _Entry.Last_release_date 2012-08-03 _Entry.Original_release_date 2012-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 S. Sahu S. C. . 16680 2 J. Markley J. L. . 16680 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, Protein Structure Initiative' 'Center for Eukaryotic Genomics' . 16680 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Center for Eukaryotic Structural Genomics' . 16680 homeodomain . 16680 nanog . 16680 'Protein Structure Initiative' . 16680 PSI . 16680 'Structural Genomics' . 16680 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16680 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 396 16680 '15N chemical shifts' 81 16680 '1H chemical shifts' 651 16680 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 . . 2012-08-03 2010-01-15 original author . 16680 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KT0 'BMRB Entry Tracking System' 16680 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16680 _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 'Solution structure of human stem cell transcription factor Nanog' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _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 S. Sahu S. C. . 16680 1 2 J. Markley J. L. . 16680 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16680 _Assembly.ID 1 _Assembly.Name Nanog _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 yes _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 Nanog 1 $Nanog A . yes native no no . . . 16680 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nanog _Entity.Sf_category entity _Entity.Sf_framecode Nanog _Entity.Entry_ID 16680 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nanog _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 ; SKQPTSAENSVAKKEDKVPV KKQKTRTVFSSTQLCVLNDR FQRQKYLSLQQMQELSNILN LSYKQVKTWFQNQRMKSKRW QKNN ; _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 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic yes _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10068.668 _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 2KT0 . "Solution Structure Of Human Stem Cell Transcription Factor Nanog Homeodomain Fragment" . . . . . 100.00 84 100.00 100.00 6.11e-51 . . . . 16680 1 2 no PDB 4RBO . "Crystal Structure Of A Nanog Homeobox (nanog) From Homo Sapiens At 3.30 A Resolution" . . . . . 76.19 70 100.00 100.00 3.32e-35 . . . . 16680 1 3 no DBJ BAB14151 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 305 98.81 98.81 3.10e-48 . . . . 16680 1 4 no DBJ BAC76999 . "homeobox transcription factor Nanog [Homo sapiens]" . . . . . 100.00 305 98.81 98.81 3.10e-48 . . . . 16680 1 5 no DBJ BAF83585 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 305 97.62 97.62 3.84e-47 . . . . 16680 1 6 no GB AAI60187 . "Nanog homeobox [synthetic construct]" . . . . . 100.00 305 97.62 97.62 3.45e-47 . . . . 16680 1 7 no GB AAP49529 . "NANOG [Homo sapiens]" . . . . . 100.00 305 97.62 97.62 3.45e-47 . . . . 16680 1 8 no GB AAT81526 . "homeobox transcription factor Nanog-delta 48 [Homo sapiens]" . . . . . 100.00 289 97.62 97.62 2.93e-47 . . . . 16680 1 9 no GB ABA27089 . "homeobox transcription factor NANOG [Pan troglodytes]" . . . . . 100.00 305 97.62 97.62 1.48e-47 . . . . 16680 1 10 no GB ABZ92376 . "Nanog homeobox [synthetic construct]" . . . . . 100.00 305 98.81 98.81 2.97e-48 . . . . 16680 1 11 no REF NP_001065295 . "homeobox protein NANOG [Pan troglodytes]" . . . . . 100.00 305 97.62 97.62 1.48e-47 . . . . 16680 1 12 no REF NP_001284627 . "homeobox protein NANOG isoform 2 [Homo sapiens]" . . . . . 100.00 289 97.62 97.62 2.93e-47 . . . . 16680 1 13 no REF NP_079141 . "homeobox protein NANOG isoform 1 [Homo sapiens]" . . . . . 100.00 305 97.62 97.62 3.45e-47 . . . . 16680 1 14 no REF XP_003811843 . "PREDICTED: homeobox protein NANOG [Pan paniscus]" . . . . . 100.00 305 97.62 97.62 1.60e-47 . . . . 16680 1 15 no REF XP_011519152 . "PREDICTED: homeobox protein NANOG isoform X1 [Homo sapiens]" . . . . . 100.00 304 97.62 97.62 3.48e-47 . . . . 16680 1 16 no SP Q3LTE0 . "RecName: Full=Homeobox protein NANOG; AltName: Full=Homeobox transcription factor Nanog" . . . . . 100.00 305 97.62 97.62 1.48e-47 . . . . 16680 1 17 no SP Q6NSW7 . "RecName: Full=Putative homeobox protein NANOGP8" . . . . . 100.00 305 98.81 98.81 2.97e-48 . . . . 16680 1 18 no SP Q9H9S0 . "RecName: Full=Homeobox protein NANOG; AltName: Full=Homeobox transcription factor Nanog; Short=hNanog" . . . . . 100.00 305 97.62 97.62 3.45e-47 . . . . 16680 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 . 16680 1 2 . LYS . 16680 1 3 . GLN . 16680 1 4 . PRO . 16680 1 5 . THR . 16680 1 6 . SER . 16680 1 7 . ALA . 16680 1 8 . GLU . 16680 1 9 . ASN . 16680 1 10 . SER . 16680 1 11 . VAL . 16680 1 12 . ALA . 16680 1 13 . LYS . 16680 1 14 . LYS . 16680 1 15 . GLU . 16680 1 16 . ASP . 16680 1 17 . LYS . 16680 1 18 . VAL . 16680 1 19 . PRO . 16680 1 20 . VAL . 16680 1 21 . LYS . 16680 1 22 . LYS . 16680 1 23 . GLN . 16680 1 24 . LYS . 16680 1 25 . THR . 16680 1 26 . ARG . 16680 1 27 . THR . 16680 1 28 . VAL . 16680 1 29 . PHE . 16680 1 30 . SER . 16680 1 31 . SER . 16680 1 32 . THR . 16680 1 33 . GLN . 16680 1 34 . LEU . 16680 1 35 . CYS . 16680 1 36 . VAL . 16680 1 37 . LEU . 16680 1 38 . ASN . 16680 1 39 . ASP . 16680 1 40 . ARG . 16680 1 41 . PHE . 16680 1 42 . GLN . 16680 1 43 . ARG . 16680 1 44 . GLN . 16680 1 45 . LYS . 16680 1 46 . TYR . 16680 1 47 . LEU . 16680 1 48 . SER . 16680 1 49 . LEU . 16680 1 50 . GLN . 16680 1 51 . GLN . 16680 1 52 . MET . 16680 1 53 . GLN . 16680 1 54 . GLU . 16680 1 55 . LEU . 16680 1 56 . SER . 16680 1 57 . ASN . 16680 1 58 . ILE . 16680 1 59 . LEU . 16680 1 60 . ASN . 16680 1 61 . LEU . 16680 1 62 . SER . 16680 1 63 . TYR . 16680 1 64 . LYS . 16680 1 65 . GLN . 16680 1 66 . VAL . 16680 1 67 . LYS . 16680 1 68 . THR . 16680 1 69 . TRP . 16680 1 70 . PHE . 16680 1 71 . GLN . 16680 1 72 . ASN . 16680 1 73 . GLN . 16680 1 74 . ARG . 16680 1 75 . MET . 16680 1 76 . LYS . 16680 1 77 . SER . 16680 1 78 . LYS . 16680 1 79 . ARG . 16680 1 80 . TRP . 16680 1 81 . GLN . 16680 1 82 . LYS . 16680 1 83 . ASN . 16680 1 84 . ASN . 16680 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 16680 1 . LYS 2 2 16680 1 . GLN 3 3 16680 1 . PRO 4 4 16680 1 . THR 5 5 16680 1 . SER 6 6 16680 1 . ALA 7 7 16680 1 . GLU 8 8 16680 1 . ASN 9 9 16680 1 . SER 10 10 16680 1 . VAL 11 11 16680 1 . ALA 12 12 16680 1 . LYS 13 13 16680 1 . LYS 14 14 16680 1 . GLU 15 15 16680 1 . ASP 16 16 16680 1 . LYS 17 17 16680 1 . VAL 18 18 16680 1 . PRO 19 19 16680 1 . VAL 20 20 16680 1 . LYS 21 21 16680 1 . LYS 22 22 16680 1 . GLN 23 23 16680 1 . LYS 24 24 16680 1 . THR 25 25 16680 1 . ARG 26 26 16680 1 . THR 27 27 16680 1 . VAL 28 28 16680 1 . PHE 29 29 16680 1 . SER 30 30 16680 1 . SER 31 31 16680 1 . THR 32 32 16680 1 . GLN 33 33 16680 1 . LEU 34 34 16680 1 . CYS 35 35 16680 1 . VAL 36 36 16680 1 . LEU 37 37 16680 1 . ASN 38 38 16680 1 . ASP 39 39 16680 1 . ARG 40 40 16680 1 . PHE 41 41 16680 1 . GLN 42 42 16680 1 . ARG 43 43 16680 1 . GLN 44 44 16680 1 . LYS 45 45 16680 1 . TYR 46 46 16680 1 . LEU 47 47 16680 1 . SER 48 48 16680 1 . LEU 49 49 16680 1 . GLN 50 50 16680 1 . GLN 51 51 16680 1 . MET 52 52 16680 1 . GLN 53 53 16680 1 . GLU 54 54 16680 1 . LEU 55 55 16680 1 . SER 56 56 16680 1 . ASN 57 57 16680 1 . ILE 58 58 16680 1 . LEU 59 59 16680 1 . ASN 60 60 16680 1 . LEU 61 61 16680 1 . SER 62 62 16680 1 . TYR 63 63 16680 1 . LYS 64 64 16680 1 . GLN 65 65 16680 1 . VAL 66 66 16680 1 . LYS 67 67 16680 1 . THR 68 68 16680 1 . TRP 69 69 16680 1 . PHE 70 70 16680 1 . GLN 71 71 16680 1 . ASN 72 72 16680 1 . GLN 73 73 16680 1 . ARG 74 74 16680 1 . MET 75 75 16680 1 . LYS 76 76 16680 1 . SER 77 77 16680 1 . LYS 78 78 16680 1 . ARG 79 79 16680 1 . TRP 80 80 16680 1 . GLN 81 81 16680 1 . LYS 82 82 16680 1 . ASN 83 83 16680 1 . ASN 84 84 16680 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 16680 _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 $Nanog . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16680 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 16680 _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 $Nanog . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pVP68K . . . . . . 16680 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16680 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM nanog U-15N/13C, 10 mM MOPS, 5 mM Dithiothreitol, 250 mM NaCl' _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 Nanog '[U-95% 13C; U-90% 15N]' . . 1 $Nanog . . 0.7 . . mM . . . . 16680 1 2 MOPS 'natural abundance' . . . . . . 10 . . mM . . . . 16680 1 3 Dithiothreitol 'natural abundance' . . . . . . 5 . . mM . . . . 16680 1 4 NaCl 'natural abundance' . . . . . . 250 . . mM . . . . 16680 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16680 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16680 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 16680 _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' 250 . mM 16680 1 pH 7.0 . pH 16680 1 pressure 1 . atm 16680 1 temperature 298 . K 16680 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16680 _Software.ID 1 _Software.Name CNS _Software.Version 1.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 16680 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16680 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 16680 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16680 _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 Varian Inova . 600 . . . 16680 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 16680 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16680 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16680 1 3 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16680 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 16680 _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 . . . . . . . . . 16680 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16680 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16680 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 16680 _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 3D_15N-separated_NOESY . . . 16680 1 2 3D_13C-separated_NOESY . . . 16680 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 16680 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 H H 1 8.290 0.020 . 1 . . . . 1 SER H . 16680 1 2 . 1 1 1 1 SER HA H 1 4.510 0.020 . 1 . . . . 1 SER HA . 16680 1 3 . 1 1 1 1 SER HB2 H 1 4.014 0.020 . 2 . . . . 1 SER HB2 . 16680 1 4 . 1 1 1 1 SER HB3 H 1 3.984 0.020 . 2 . . . . 1 SER HB3 . 16680 1 5 . 1 1 1 1 SER CA C 13 56.984 0.400 . 1 . . . . 1 SER CA . 16680 1 6 . 1 1 1 1 SER CB C 13 63.800 0.400 . 1 . . . . 1 SER CB . 16680 1 7 . 1 1 2 2 LYS H H 1 8.349 0.020 . 1 . . . . 2 LYS H . 16680 1 8 . 1 1 2 2 LYS HA H 1 4.370 0.020 . 1 . . . . 2 LYS HA . 16680 1 9 . 1 1 2 2 LYS HB2 H 1 1.787 0.020 . 2 . . . . 2 LYS HB2 . 16680 1 10 . 1 1 2 2 LYS HB3 H 1 1.780 0.020 . 2 . . . . 2 LYS HB3 . 16680 1 11 . 1 1 2 2 LYS HD2 H 1 1.580 0.020 . 2 . . . . 2 LYS HD2 . 16680 1 12 . 1 1 2 2 LYS HD3 H 1 1.571 0.020 . 2 . . . . 2 LYS HD3 . 16680 1 13 . 1 1 2 2 LYS HE2 H 1 2.989 0.020 . 2 . . . . 2 LYS HE2 . 16680 1 14 . 1 1 2 2 LYS HE3 H 1 2.989 0.020 . 2 . . . . 2 LYS HE3 . 16680 1 15 . 1 1 2 2 LYS HG2 H 1 1.381 0.020 . 2 . . . . 2 LYS HG2 . 16680 1 16 . 1 1 2 2 LYS HG3 H 1 1.370 0.020 . 2 . . . . 2 LYS HG3 . 16680 1 17 . 1 1 2 2 LYS C C 13 176.460 0.400 . 1 . . . . 2 LYS C . 16680 1 18 . 1 1 2 2 LYS CA C 13 56.175 0.400 . 1 . . . . 2 LYS CA . 16680 1 19 . 1 1 2 2 LYS CB C 13 33.119 0.400 . 1 . . . . 2 LYS CB . 16680 1 20 . 1 1 2 2 LYS CD C 13 28.780 0.400 . 1 . . . . 2 LYS CD . 16680 1 21 . 1 1 2 2 LYS CE C 13 41.780 0.400 . 1 . . . . 2 LYS CE . 16680 1 22 . 1 1 2 2 LYS CG C 13 24.910 0.400 . 1 . . . . 2 LYS CG . 16680 1 23 . 1 1 2 2 LYS N N 15 121.160 0.400 . 1 . . . . 2 LYS N . 16680 1 24 . 1 1 3 3 GLN H H 1 8.344 0.020 . 1 . . . . 3 GLN H . 16680 1 25 . 1 1 3 3 GLN HA H 1 4.268 0.020 . 1 . . . . 3 GLN HA . 16680 1 26 . 1 1 3 3 GLN HB2 H 1 2.049 0.020 . 2 . . . . 3 GLN HB2 . 16680 1 27 . 1 1 3 3 GLN HB3 H 1 2.040 0.020 . 2 . . . . 3 GLN HB3 . 16680 1 28 . 1 1 3 3 GLN HE21 H 1 7.546 0.020 . 2 . . . . 3 GLN HE21 . 16680 1 29 . 1 1 3 3 GLN HE22 H 1 7.092 0.020 . 2 . . . . 3 GLN HE22 . 16680 1 30 . 1 1 3 3 GLN HG2 H 1 2.320 0.020 . 2 . . . . 3 GLN HG2 . 16680 1 31 . 1 1 3 3 GLN HG3 H 1 2.327 0.020 . 2 . . . . 3 GLN HG3 . 16680 1 32 . 1 1 3 3 GLN C C 13 176.390 0.400 . 1 . . . . 3 GLN C . 16680 1 33 . 1 1 3 3 GLN CA C 13 52.477 0.400 . 1 . . . . 3 GLN CA . 16680 1 34 . 1 1 3 3 GLN CB C 13 30.402 0.400 . 1 . . . . 3 GLN CB . 16680 1 35 . 1 1 3 3 GLN CG C 13 33.720 0.400 . 1 . . . . 3 GLN CG . 16680 1 36 . 1 1 3 3 GLN N N 15 123.409 0.400 . 1 . . . . 3 GLN N . 16680 1 37 . 1 1 4 4 PRO HA H 1 4.454 0.020 . 1 . . . . 4 PRO HA . 16680 1 38 . 1 1 4 4 PRO HB2 H 1 2.294 0.020 . 2 . . . . 4 PRO HB2 . 16680 1 39 . 1 1 4 4 PRO HB3 H 1 1.959 0.020 . 2 . . . . 4 PRO HB3 . 16680 1 40 . 1 1 4 4 PRO HD2 H 1 3.872 0.020 . 2 . . . . 4 PRO HD2 . 16680 1 41 . 1 1 4 4 PRO HD3 H 1 3.687 0.020 . 2 . . . . 4 PRO HD3 . 16680 1 42 . 1 1 4 4 PRO HG2 H 1 2.018 0.020 . 2 . . . . 4 PRO HG2 . 16680 1 43 . 1 1 4 4 PRO HG3 H 1 1.844 0.020 . 2 . . . . 4 PRO HG3 . 16680 1 44 . 1 1 4 4 PRO C C 13 177.117 0.400 . 1 . . . . 4 PRO C . 16680 1 45 . 1 1 4 4 PRO CA C 13 63.193 0.400 . 1 . . . . 4 PRO CA . 16680 1 46 . 1 1 4 4 PRO CB C 13 32.140 0.400 . 1 . . . . 4 PRO CB . 16680 1 47 . 1 1 4 4 PRO CD C 13 50.898 0.400 . 1 . . . . 4 PRO CD . 16680 1 48 . 1 1 4 4 PRO CG C 13 27.763 0.400 . 1 . . . . 4 PRO CG . 16680 1 49 . 1 1 5 5 THR H H 1 8.319 0.020 . 1 . . . . 5 THR H . 16680 1 50 . 1 1 5 5 THR HA H 1 4.384 0.020 . 1 . . . . 5 THR HA . 16680 1 51 . 1 1 5 5 THR HB H 1 4.217 0.020 . 1 . . . . 5 THR HB . 16680 1 52 . 1 1 5 5 THR HG21 H 1 0.976 0.020 . 1 . . . . 5 THR HG2 . 16680 1 53 . 1 1 5 5 THR HG22 H 1 0.976 0.020 . 1 . . . . 5 THR HG2 . 16680 1 54 . 1 1 5 5 THR HG23 H 1 0.976 0.020 . 1 . . . . 5 THR HG2 . 16680 1 55 . 1 1 5 5 THR C C 13 174.715 0.400 . 1 . . . . 5 THR C . 16680 1 56 . 1 1 5 5 THR CA C 13 59.991 0.400 . 1 . . . . 5 THR CA . 16680 1 57 . 1 1 5 5 THR CB C 13 70.000 0.400 . 1 . . . . 5 THR CB . 16680 1 58 . 1 1 5 5 THR CG2 C 13 21.440 0.400 . 1 . . . . 5 THR CG2 . 16680 1 59 . 1 1 5 5 THR N N 15 114.433 0.400 . 1 . . . . 5 THR N . 16680 1 60 . 1 1 6 6 SER H H 1 8.348 0.020 . 1 . . . . 6 SER H . 16680 1 61 . 1 1 6 6 SER HA H 1 4.455 0.020 . 1 . . . . 6 SER HA . 16680 1 62 . 1 1 6 6 SER HB2 H 1 3.878 0.020 . 2 . . . . 6 SER HB2 . 16680 1 63 . 1 1 6 6 SER HB3 H 1 3.870 0.020 . 2 . . . . 6 SER HB3 . 16680 1 64 . 1 1 6 6 SER C C 13 174.505 0.400 . 1 . . . . 6 SER C . 16680 1 65 . 1 1 6 6 SER CA C 13 58.386 0.400 . 1 . . . . 6 SER CA . 16680 1 66 . 1 1 6 6 SER CB C 13 63.825 0.400 . 1 . . . . 6 SER CB . 16680 1 67 . 1 1 6 6 SER N N 15 117.837 0.400 . 1 . . . . 6 SER N . 16680 1 68 . 1 1 7 7 ALA H H 1 8.409 0.020 . 1 . . . . 7 ALA H . 16680 1 69 . 1 1 7 7 ALA HA H 1 4.315 0.020 . 1 . . . . 7 ALA HA . 16680 1 70 . 1 1 7 7 ALA HB1 H 1 1.392 0.020 . 1 . . . . 7 ALA HB . 16680 1 71 . 1 1 7 7 ALA HB2 H 1 1.392 0.020 . 1 . . . . 7 ALA HB . 16680 1 72 . 1 1 7 7 ALA HB3 H 1 1.392 0.020 . 1 . . . . 7 ALA HB . 16680 1 73 . 1 1 7 7 ALA C C 13 178.050 0.400 . 1 . . . . 7 ALA C . 16680 1 74 . 1 1 7 7 ALA CA C 13 52.436 0.400 . 1 . . . . 7 ALA CA . 16680 1 75 . 1 1 7 7 ALA CB C 13 19.200 0.400 . 1 . . . . 7 ALA CB . 16680 1 76 . 1 1 7 7 ALA N N 15 125.872 0.400 . 1 . . . . 7 ALA N . 16680 1 77 . 1 1 8 8 GLU H H 1 8.348 0.020 . 1 . . . . 8 GLU H . 16680 1 78 . 1 1 8 8 GLU HA H 1 4.235 0.020 . 1 . . . . 8 GLU HA . 16680 1 79 . 1 1 8 8 GLU HB2 H 1 1.987 0.020 . 2 . . . . 8 GLU HB2 . 16680 1 80 . 1 1 8 8 GLU HB3 H 1 1.995 0.020 . 2 . . . . 8 GLU HB3 . 16680 1 81 . 1 1 8 8 GLU HG2 H 1 2.183 0.020 . 2 . . . . 8 GLU HG2 . 16680 1 82 . 1 1 8 8 GLU HG3 H 1 2.172 0.020 . 2 . . . . 8 GLU HG3 . 16680 1 83 . 1 1 8 8 GLU C C 13 176.510 0.400 . 1 . . . . 8 GLU C . 16680 1 84 . 1 1 8 8 GLU CA C 13 56.408 0.400 . 1 . . . . 8 GLU CA . 16680 1 85 . 1 1 8 8 GLU CB C 13 30.100 0.400 . 1 . . . . 8 GLU CB . 16680 1 86 . 1 1 8 8 GLU CG C 13 33.573 0.400 . 1 . . . . 8 GLU CG . 16680 1 87 . 1 1 8 8 GLU N N 15 119.470 0.400 . 1 . . . . 8 GLU N . 16680 1 88 . 1 1 9 9 ASN H H 1 8.364 0.020 . 1 . . . . 9 ASN H . 16680 1 89 . 1 1 9 9 ASN HA H 1 4.730 0.020 . 1 . . . . 9 ASN HA . 16680 1 90 . 1 1 9 9 ASN HB2 H 1 2.797 0.020 . 2 . . . . 9 ASN HB2 . 16680 1 91 . 1 1 9 9 ASN HB3 H 1 2.780 0.020 . 2 . . . . 9 ASN HB3 . 16680 1 92 . 1 1 9 9 ASN HD21 H 1 7.270 0.020 . 2 . . . . 9 ASN HD21 . 16680 1 93 . 1 1 9 9 ASN HD22 H 1 7.200 0.020 . 2 . . . . 9 ASN HD22 . 16680 1 94 . 1 1 9 9 ASN C C 13 175.265 0.400 . 1 . . . . 9 ASN C . 16680 1 95 . 1 1 9 9 ASN CA C 13 53.025 0.400 . 1 . . . . 9 ASN CA . 16680 1 96 . 1 1 9 9 ASN CB C 13 38.925 0.400 . 1 . . . . 9 ASN CB . 16680 1 97 . 1 1 9 9 ASN N N 15 119.205 0.400 . 1 . . . . 9 ASN N . 16680 1 98 . 1 1 10 10 SER H H 1 8.199 0.020 . 1 . . . . 10 SER H . 16680 1 99 . 1 1 10 10 SER HA H 1 4.459 0.020 . 1 . . . . 10 SER HA . 16680 1 100 . 1 1 10 10 SER HB2 H 1 3.882 0.020 . 2 . . . . 10 SER HB2 . 16680 1 101 . 1 1 10 10 SER HB3 H 1 3.870 0.020 . 2 . . . . 10 SER HB3 . 16680 1 102 . 1 1 10 10 SER C C 13 174.560 0.400 . 1 . . . . 10 SER C . 16680 1 103 . 1 1 10 10 SER CA C 13 58.540 0.400 . 1 . . . . 10 SER CA . 16680 1 104 . 1 1 10 10 SER CB C 13 63.447 0.400 . 1 . . . . 10 SER CB . 16680 1 105 . 1 1 10 10 SER N N 15 116.171 0.400 . 1 . . . . 10 SER N . 16680 1 106 . 1 1 11 11 VAL H H 1 8.051 0.020 . 1 . . . . 11 VAL H . 16680 1 107 . 1 1 11 11 VAL HA H 1 4.134 0.020 . 1 . . . . 11 VAL HA . 16680 1 108 . 1 1 11 11 VAL HB H 1 2.093 0.020 . 1 . . . . 11 VAL HB . 16680 1 109 . 1 1 11 11 VAL HG11 H 1 0.905 0.020 . 2 . . . . 11 VAL HG1 . 16680 1 110 . 1 1 11 11 VAL HG12 H 1 0.905 0.020 . 2 . . . . 11 VAL HG1 . 16680 1 111 . 1 1 11 11 VAL HG13 H 1 0.905 0.020 . 2 . . . . 11 VAL HG1 . 16680 1 112 . 1 1 11 11 VAL HG21 H 1 0.891 0.020 . 2 . . . . 11 VAL HG2 . 16680 1 113 . 1 1 11 11 VAL HG22 H 1 0.891 0.020 . 2 . . . . 11 VAL HG2 . 16680 1 114 . 1 1 11 11 VAL HG23 H 1 0.891 0.020 . 2 . . . . 11 VAL HG2 . 16680 1 115 . 1 1 11 11 VAL C C 13 175.883 0.400 . 1 . . . . 11 VAL C . 16680 1 116 . 1 1 11 11 VAL CA C 13 62.593 0.400 . 1 . . . . 11 VAL CA . 16680 1 117 . 1 1 11 11 VAL CB C 13 29.556 0.400 . 1 . . . . 11 VAL CB . 16680 1 118 . 1 1 11 11 VAL CG1 C 13 24.457 0.400 . 1 . . . . 11 VAL CG1 . 16680 1 119 . 1 1 11 11 VAL CG2 C 13 24.679 0.400 . 1 . . . . 11 VAL CG2 . 16680 1 120 . 1 1 11 11 VAL N N 15 121.455 0.400 . 1 . . . . 11 VAL N . 16680 1 121 . 1 1 12 12 ALA H H 1 8.260 0.020 . 1 . . . . 12 ALA H . 16680 1 122 . 1 1 12 12 ALA HA H 1 4.303 0.020 . 1 . . . . 12 ALA HA . 16680 1 123 . 1 1 12 12 ALA HB1 H 1 1.372 0.020 . 1 . . . . 12 ALA HB . 16680 1 124 . 1 1 12 12 ALA HB2 H 1 1.372 0.020 . 1 . . . . 12 ALA HB . 16680 1 125 . 1 1 12 12 ALA HB3 H 1 1.372 0.020 . 1 . . . . 12 ALA HB . 16680 1 126 . 1 1 12 12 ALA C C 13 177.552 0.400 . 1 . . . . 12 ALA C . 16680 1 127 . 1 1 12 12 ALA CA C 13 52.500 0.400 . 1 . . . . 12 ALA CA . 16680 1 128 . 1 1 12 12 ALA CB C 13 19.200 0.400 . 1 . . . . 12 ALA CB . 16680 1 129 . 1 1 12 12 ALA N N 15 127.487 0.400 . 1 . . . . 12 ALA N . 16680 1 130 . 1 1 13 13 LYS H H 1 8.261 0.020 . 1 . . . . 13 LYS H . 16680 1 131 . 1 1 13 13 LYS HA H 1 4.294 0.020 . 1 . . . . 13 LYS HA . 16680 1 132 . 1 1 13 13 LYS HB2 H 1 1.766 0.020 . 2 . . . . 13 LYS HB2 . 16680 1 133 . 1 1 13 13 LYS HB3 H 1 1.796 0.020 . 2 . . . . 13 LYS HB3 . 16680 1 134 . 1 1 13 13 LYS HD2 H 1 1.699 0.020 . 2 . . . . 13 LYS HD2 . 16680 1 135 . 1 1 13 13 LYS HD3 H 1 1.692 0.020 . 2 . . . . 13 LYS HD3 . 16680 1 136 . 1 1 13 13 LYS HE2 H 1 2.994 0.020 . 2 . . . . 13 LYS HE2 . 16680 1 137 . 1 1 13 13 LYS HE3 H 1 2.995 0.020 . 2 . . . . 13 LYS HE3 . 16680 1 138 . 1 1 13 13 LYS HG2 H 1 1.379 0.020 . 2 . . . . 13 LYS HG2 . 16680 1 139 . 1 1 13 13 LYS HG3 H 1 1.370 0.020 . 2 . . . . 13 LYS HG3 . 16680 1 140 . 1 1 13 13 LYS C C 13 176.545 0.400 . 1 . . . . 13 LYS C . 16680 1 141 . 1 1 13 13 LYS CA C 13 56.861 0.400 . 1 . . . . 13 LYS CA . 16680 1 142 . 1 1 13 13 LYS CB C 13 33.101 0.400 . 1 . . . . 13 LYS CB . 16680 1 143 . 1 1 13 13 LYS CD C 13 28.792 0.400 . 1 . . . . 13 LYS CD . 16680 1 144 . 1 1 13 13 LYS CE C 13 41.780 0.400 . 1 . . . . 13 LYS CE . 16680 1 145 . 1 1 13 13 LYS CG C 13 24.910 0.400 . 1 . . . . 13 LYS CG . 16680 1 146 . 1 1 13 13 LYS N N 15 121.230 0.400 . 1 . . . . 13 LYS N . 16680 1 147 . 1 1 14 14 LYS H H 1 8.392 0.020 . 1 . . . . 14 LYS H . 16680 1 148 . 1 1 14 14 LYS HA H 1 4.283 0.020 . 1 . . . . 14 LYS HA . 16680 1 149 . 1 1 14 14 LYS HB2 H 1 1.788 0.020 . 2 . . . . 14 LYS HB2 . 16680 1 150 . 1 1 14 14 LYS HB3 H 1 1.780 0.020 . 2 . . . . 14 LYS HB3 . 16680 1 151 . 1 1 14 14 LYS HD2 H 1 1.692 0.020 . 2 . . . . 14 LYS HD2 . 16680 1 152 . 1 1 14 14 LYS HD3 H 1 1.685 0.020 . 2 . . . . 14 LYS HD3 . 16680 1 153 . 1 1 14 14 LYS HE2 H 1 2.963 0.020 . 2 . . . . 14 LYS HE2 . 16680 1 154 . 1 1 14 14 LYS HE3 H 1 2.930 0.020 . 2 . . . . 14 LYS HE3 . 16680 1 155 . 1 1 14 14 LYS HG2 H 1 1.380 0.020 . 2 . . . . 14 LYS HG2 . 16680 1 156 . 1 1 14 14 LYS HG3 H 1 1.370 0.020 . 2 . . . . 14 LYS HG3 . 16680 1 157 . 1 1 14 14 LYS C C 13 176.558 0.400 . 1 . . . . 14 LYS C . 16680 1 158 . 1 1 14 14 LYS CA C 13 56.507 0.400 . 1 . . . . 14 LYS CA . 16680 1 159 . 1 1 14 14 LYS CB C 13 33.000 0.400 . 1 . . . . 14 LYS CB . 16680 1 160 . 1 1 14 14 LYS CD C 13 28.780 0.400 . 1 . . . . 14 LYS CD . 16680 1 161 . 1 1 14 14 LYS CE C 13 42.652 0.400 . 1 . . . . 14 LYS CE . 16680 1 162 . 1 1 14 14 LYS CG C 13 24.910 0.400 . 1 . . . . 14 LYS CG . 16680 1 163 . 1 1 14 14 LYS N N 15 123.706 0.400 . 1 . . . . 14 LYS N . 16680 1 164 . 1 1 15 15 GLU H H 1 8.539 0.020 . 1 . . . . 15 GLU H . 16680 1 165 . 1 1 15 15 GLU HA H 1 4.290 0.020 . 1 . . . . 15 GLU HA . 16680 1 166 . 1 1 15 15 GLU HB2 H 1 2.045 0.020 . 2 . . . . 15 GLU HB2 . 16680 1 167 . 1 1 15 15 GLU HB3 H 1 1.905 0.020 . 2 . . . . 15 GLU HB3 . 16680 1 168 . 1 1 15 15 GLU HG2 H 1 2.203 0.020 . 2 . . . . 15 GLU HG2 . 16680 1 169 . 1 1 15 15 GLU HG3 H 1 2.244 0.020 . 2 . . . . 15 GLU HG3 . 16680 1 170 . 1 1 15 15 GLU C C 13 176.021 0.400 . 1 . . . . 15 GLU C . 16680 1 171 . 1 1 15 15 GLU CA C 13 56.196 0.400 . 1 . . . . 15 GLU CA . 16680 1 172 . 1 1 15 15 GLU CB C 13 30.400 0.400 . 1 . . . . 15 GLU CB . 16680 1 173 . 1 1 15 15 GLU CG C 13 36.010 0.400 . 1 . . . . 15 GLU CG . 16680 1 174 . 1 1 15 15 GLU N N 15 122.355 0.400 . 1 . . . . 15 GLU N . 16680 1 175 . 1 1 16 16 ASP H H 1 8.361 0.020 . 1 . . . . 16 ASP H . 16680 1 176 . 1 1 16 16 ASP HA H 1 4.595 0.020 . 1 . . . . 16 ASP HA . 16680 1 177 . 1 1 16 16 ASP HB2 H 1 2.593 0.020 . 2 . . . . 16 ASP HB2 . 16680 1 178 . 1 1 16 16 ASP HB3 H 1 2.666 0.020 . 2 . . . . 16 ASP HB3 . 16680 1 179 . 1 1 16 16 ASP C C 13 176.021 0.400 . 1 . . . . 16 ASP C . 16680 1 180 . 1 1 16 16 ASP CA C 13 54.300 0.400 . 1 . . . . 16 ASP CA . 16680 1 181 . 1 1 16 16 ASP CB C 13 41.200 0.400 . 1 . . . . 16 ASP CB . 16680 1 182 . 1 1 16 16 ASP N N 15 122.265 0.400 . 1 . . . . 16 ASP N . 16680 1 183 . 1 1 17 17 LYS H H 1 8.230 0.020 . 1 . . . . 17 LYS H . 16680 1 184 . 1 1 17 17 LYS HA H 1 4.469 0.020 . 1 . . . . 17 LYS HA . 16680 1 185 . 1 1 17 17 LYS HB2 H 1 2.291 0.020 . 2 . . . . 17 LYS HB2 . 16680 1 186 . 1 1 17 17 LYS HB3 H 1 1.855 0.020 . 2 . . . . 17 LYS HB3 . 16680 1 187 . 1 1 17 17 LYS HD2 H 1 1.612 0.020 . 2 . . . . 17 LYS HD2 . 16680 1 188 . 1 1 17 17 LYS HD3 H 1 1.612 0.020 . 2 . . . . 17 LYS HD3 . 16680 1 189 . 1 1 17 17 LYS HE2 H 1 2.930 0.020 . 2 . . . . 17 LYS HE2 . 16680 1 190 . 1 1 17 17 LYS HE3 H 1 2.930 0.020 . 2 . . . . 17 LYS HE3 . 16680 1 191 . 1 1 17 17 LYS HG2 H 1 1.380 0.020 . 2 . . . . 17 LYS HG2 . 16680 1 192 . 1 1 17 17 LYS HG3 H 1 1.370 0.020 . 2 . . . . 17 LYS HG3 . 16680 1 193 . 1 1 17 17 LYS C C 13 176.823 0.400 . 1 . . . . 17 LYS C . 16680 1 194 . 1 1 17 17 LYS CA C 13 56.200 0.400 . 1 . . . . 17 LYS CA . 16680 1 195 . 1 1 17 17 LYS CB C 13 32.119 0.400 . 1 . . . . 17 LYS CB . 16680 1 196 . 1 1 17 17 LYS CD C 13 27.046 0.400 . 1 . . . . 17 LYS CD . 16680 1 197 . 1 1 17 17 LYS CE C 13 41.780 0.400 . 1 . . . . 17 LYS CE . 16680 1 198 . 1 1 17 17 LYS CG C 13 24.910 0.400 . 1 . . . . 17 LYS CG . 16680 1 199 . 1 1 17 17 LYS N N 15 121.293 0.400 . 1 . . . . 17 LYS N . 16680 1 200 . 1 1 18 18 VAL H H 1 8.175 0.020 . 1 . . . . 18 VAL H . 16680 1 201 . 1 1 18 18 VAL HA H 1 4.160 0.020 . 1 . . . . 18 VAL HA . 16680 1 202 . 1 1 18 18 VAL HB H 1 2.063 0.020 . 1 . . . . 18 VAL HB . 16680 1 203 . 1 1 18 18 VAL HG11 H 1 0.944 0.020 . 2 . . . . 18 VAL HG1 . 16680 1 204 . 1 1 18 18 VAL HG12 H 1 0.944 0.020 . 2 . . . . 18 VAL HG1 . 16680 1 205 . 1 1 18 18 VAL HG13 H 1 0.944 0.020 . 2 . . . . 18 VAL HG1 . 16680 1 206 . 1 1 18 18 VAL HG21 H 1 0.922 0.020 . 2 . . . . 18 VAL HG2 . 16680 1 207 . 1 1 18 18 VAL HG22 H 1 0.922 0.020 . 2 . . . . 18 VAL HG2 . 16680 1 208 . 1 1 18 18 VAL HG23 H 1 0.922 0.020 . 2 . . . . 18 VAL HG2 . 16680 1 209 . 1 1 18 18 VAL C C 13 176.303 0.400 . 1 . . . . 18 VAL C . 16680 1 210 . 1 1 18 18 VAL CA C 13 62.211 0.400 . 1 . . . . 18 VAL CA . 16680 1 211 . 1 1 18 18 VAL CB C 13 32.723 0.400 . 1 . . . . 18 VAL CB . 16680 1 212 . 1 1 18 18 VAL CG1 C 13 21.084 0.400 . 1 . . . . 18 VAL CG1 . 16680 1 213 . 1 1 18 18 VAL CG2 C 13 21.310 0.400 . 1 . . . . 18 VAL CG2 . 16680 1 214 . 1 1 18 18 VAL N N 15 121.140 0.400 . 1 . . . . 18 VAL N . 16680 1 215 . 1 1 19 19 PRO HA H 1 4.365 0.020 . 1 . . . . 19 PRO HA . 16680 1 216 . 1 1 19 19 PRO HB2 H 1 1.930 0.020 . 2 . . . . 19 PRO HB2 . 16680 1 217 . 1 1 19 19 PRO HB3 H 1 1.759 0.020 . 2 . . . . 19 PRO HB3 . 16680 1 218 . 1 1 19 19 PRO HD2 H 1 3.887 0.020 . 2 . . . . 19 PRO HD2 . 16680 1 219 . 1 1 19 19 PRO HD3 H 1 3.685 0.020 . 2 . . . . 19 PRO HD3 . 16680 1 220 . 1 1 19 19 PRO HG2 H 1 1.930 0.020 . 2 . . . . 19 PRO HG2 . 16680 1 221 . 1 1 19 19 PRO HG3 H 1 1.920 0.020 . 2 . . . . 19 PRO HG3 . 16680 1 222 . 1 1 19 19 PRO C C 13 176.331 0.400 . 1 . . . . 19 PRO C . 16680 1 223 . 1 1 19 19 PRO CA C 13 62.069 0.400 . 1 . . . . 19 PRO CA . 16680 1 224 . 1 1 19 19 PRO CB C 13 32.163 0.400 . 1 . . . . 19 PRO CB . 16680 1 225 . 1 1 19 19 PRO CD C 13 51.261 0.400 . 1 . . . . 19 PRO CD . 16680 1 226 . 1 1 19 19 PRO CG C 13 27.544 0.400 . 1 . . . . 19 PRO CG . 16680 1 227 . 1 1 20 20 VAL H H 1 8.159 0.020 . 1 . . . . 20 VAL H . 16680 1 228 . 1 1 20 20 VAL HA H 1 4.025 0.020 . 1 . . . . 20 VAL HA . 16680 1 229 . 1 1 20 20 VAL HB H 1 2.042 0.020 . 1 . . . . 20 VAL HB . 16680 1 230 . 1 1 20 20 VAL HG11 H 1 0.948 0.020 . 2 . . . . 20 VAL HG1 . 16680 1 231 . 1 1 20 20 VAL HG12 H 1 0.948 0.020 . 2 . . . . 20 VAL HG1 . 16680 1 232 . 1 1 20 20 VAL HG13 H 1 0.948 0.020 . 2 . . . . 20 VAL HG1 . 16680 1 233 . 1 1 20 20 VAL HG21 H 1 0.974 0.020 . 2 . . . . 20 VAL HG2 . 16680 1 234 . 1 1 20 20 VAL HG22 H 1 0.974 0.020 . 2 . . . . 20 VAL HG2 . 16680 1 235 . 1 1 20 20 VAL HG23 H 1 0.974 0.020 . 2 . . . . 20 VAL HG2 . 16680 1 236 . 1 1 20 20 VAL C C 13 174.484 0.400 . 1 . . . . 20 VAL C . 16680 1 237 . 1 1 20 20 VAL CA C 13 62.493 0.400 . 1 . . . . 20 VAL CA . 16680 1 238 . 1 1 20 20 VAL CB C 13 32.705 0.400 . 1 . . . . 20 VAL CB . 16680 1 239 . 1 1 20 20 VAL CG1 C 13 21.321 0.400 . 1 . . . . 20 VAL CG1 . 16680 1 240 . 1 1 20 20 VAL CG2 C 13 21.314 0.400 . 1 . . . . 20 VAL CG2 . 16680 1 241 . 1 1 20 20 VAL N N 15 123.190 0.400 . 1 . . . . 20 VAL N . 16680 1 242 . 1 1 21 21 LYS H H 1 8.382 0.020 . 1 . . . . 21 LYS H . 16680 1 243 . 1 1 21 21 LYS HA H 1 4.310 0.020 . 1 . . . . 21 LYS HA . 16680 1 244 . 1 1 21 21 LYS HB2 H 1 1.761 0.020 . 2 . . . . 21 LYS HB2 . 16680 1 245 . 1 1 21 21 LYS HB3 H 1 1.780 0.020 . 2 . . . . 21 LYS HB3 . 16680 1 246 . 1 1 21 21 LYS HD2 H 1 1.658 0.020 . 2 . . . . 21 LYS HD2 . 16680 1 247 . 1 1 21 21 LYS HD3 H 1 1.664 0.020 . 2 . . . . 21 LYS HD3 . 16680 1 248 . 1 1 21 21 LYS HE2 H 1 2.950 0.020 . 2 . . . . 21 LYS HE2 . 16680 1 249 . 1 1 21 21 LYS HE3 H 1 2.930 0.020 . 2 . . . . 21 LYS HE3 . 16680 1 250 . 1 1 21 21 LYS HG2 H 1 1.410 0.020 . 2 . . . . 21 LYS HG2 . 16680 1 251 . 1 1 21 21 LYS HG3 H 1 1.403 0.020 . 2 . . . . 21 LYS HG3 . 16680 1 252 . 1 1 21 21 LYS C C 13 176.359 0.400 . 1 . . . . 21 LYS C . 16680 1 253 . 1 1 21 21 LYS CA C 13 56.238 0.400 . 1 . . . . 21 LYS CA . 16680 1 254 . 1 1 21 21 LYS CB C 13 32.862 0.400 . 1 . . . . 21 LYS CB . 16680 1 255 . 1 1 21 21 LYS CD C 13 29.364 0.400 . 1 . . . . 21 LYS CD . 16680 1 256 . 1 1 21 21 LYS CE C 13 41.780 0.400 . 1 . . . . 21 LYS CE . 16680 1 257 . 1 1 21 21 LYS CG C 13 24.910 0.400 . 1 . . . . 21 LYS CG . 16680 1 258 . 1 1 21 21 LYS N N 15 125.523 0.400 . 1 . . . . 21 LYS N . 16680 1 259 . 1 1 22 22 LYS H H 1 8.348 0.020 . 1 . . . . 22 LYS H . 16680 1 260 . 1 1 22 22 LYS HA H 1 4.280 0.020 . 1 . . . . 22 LYS HA . 16680 1 261 . 1 1 22 22 LYS HB2 H 1 1.790 0.020 . 2 . . . . 22 LYS HB2 . 16680 1 262 . 1 1 22 22 LYS HB3 H 1 1.780 0.020 . 2 . . . . 22 LYS HB3 . 16680 1 263 . 1 1 22 22 LYS HD2 H 1 1.610 0.020 . 2 . . . . 22 LYS HD2 . 16680 1 264 . 1 1 22 22 LYS HD3 H 1 1.610 0.020 . 2 . . . . 22 LYS HD3 . 16680 1 265 . 1 1 22 22 LYS HE2 H 1 2.930 0.020 . 2 . . . . 22 LYS HE2 . 16680 1 266 . 1 1 22 22 LYS HE3 H 1 2.930 0.020 . 2 . . . . 22 LYS HE3 . 16680 1 267 . 1 1 22 22 LYS HG2 H 1 1.380 0.020 . 2 . . . . 22 LYS HG2 . 16680 1 268 . 1 1 22 22 LYS HG3 H 1 1.370 0.020 . 2 . . . . 22 LYS HG3 . 16680 1 269 . 1 1 22 22 LYS C C 13 176.460 0.400 . 1 . . . . 22 LYS C . 16680 1 270 . 1 1 22 22 LYS CA C 13 55.965 0.400 . 1 . . . . 22 LYS CA . 16680 1 271 . 1 1 22 22 LYS CB C 13 32.999 0.400 . 1 . . . . 22 LYS CB . 16680 1 272 . 1 1 22 22 LYS CD C 13 28.780 0.400 . 1 . . . . 22 LYS CD . 16680 1 273 . 1 1 22 22 LYS CE C 13 41.780 0.400 . 1 . . . . 22 LYS CE . 16680 1 274 . 1 1 22 22 LYS CG C 13 24.910 0.400 . 1 . . . . 22 LYS CG . 16680 1 275 . 1 1 22 22 LYS N N 15 123.301 0.400 . 1 . . . . 22 LYS N . 16680 1 276 . 1 1 23 23 GLN H H 1 8.422 0.020 . 1 . . . . 23 GLN H . 16680 1 277 . 1 1 23 23 GLN HA H 1 4.342 0.020 . 1 . . . . 23 GLN HA . 16680 1 278 . 1 1 23 23 GLN HB2 H 1 2.050 0.020 . 2 . . . . 23 GLN HB2 . 16680 1 279 . 1 1 23 23 GLN HB3 H 1 1.984 0.020 . 2 . . . . 23 GLN HB3 . 16680 1 280 . 1 1 23 23 GLN HE21 H 1 7.159 0.020 . 2 . . . . 23 GLN HE21 . 16680 1 281 . 1 1 23 23 GLN HE22 H 1 7.482 0.020 . 2 . . . . 23 GLN HE22 . 16680 1 282 . 1 1 23 23 GLN HG2 H 1 2.321 0.020 . 2 . . . . 23 GLN HG2 . 16680 1 283 . 1 1 23 23 GLN HG3 H 1 2.324 0.020 . 2 . . . . 23 GLN HG3 . 16680 1 284 . 1 1 23 23 GLN C C 13 175.927 0.400 . 1 . . . . 23 GLN C . 16680 1 285 . 1 1 23 23 GLN CA C 13 52.718 0.400 . 1 . . . . 23 GLN CA . 16680 1 286 . 1 1 23 23 GLN CB C 13 29.620 0.400 . 1 . . . . 23 GLN CB . 16680 1 287 . 1 1 23 23 GLN CG C 13 33.764 0.400 . 1 . . . . 23 GLN CG . 16680 1 288 . 1 1 23 23 GLN N N 15 122.245 0.400 . 1 . . . . 23 GLN N . 16680 1 289 . 1 1 24 24 LYS H H 1 8.530 0.020 . 1 . . . . 24 LYS H . 16680 1 290 . 1 1 24 24 LYS HA H 1 4.308 0.020 . 1 . . . . 24 LYS HA . 16680 1 291 . 1 1 24 24 LYS HB2 H 1 1.824 0.020 . 2 . . . . 24 LYS HB2 . 16680 1 292 . 1 1 24 24 LYS HB3 H 1 1.805 0.020 . 2 . . . . 24 LYS HB3 . 16680 1 293 . 1 1 24 24 LYS HD2 H 1 1.696 0.020 . 2 . . . . 24 LYS HD2 . 16680 1 294 . 1 1 24 24 LYS HD3 H 1 1.695 0.020 . 2 . . . . 24 LYS HD3 . 16680 1 295 . 1 1 24 24 LYS HE2 H 1 2.930 0.020 . 2 . . . . 24 LYS HE2 . 16680 1 296 . 1 1 24 24 LYS HE3 H 1 2.930 0.020 . 2 . . . . 24 LYS HE3 . 16680 1 297 . 1 1 24 24 LYS HG2 H 1 1.379 0.020 . 2 . . . . 24 LYS HG2 . 16680 1 298 . 1 1 24 24 LYS HG3 H 1 1.370 0.020 . 2 . . . . 24 LYS HG3 . 16680 1 299 . 1 1 24 24 LYS C C 13 176.665 0.400 . 1 . . . . 24 LYS C . 16680 1 300 . 1 1 24 24 LYS CA C 13 56.168 0.400 . 1 . . . . 24 LYS CA . 16680 1 301 . 1 1 24 24 LYS CB C 13 33.119 0.400 . 1 . . . . 24 LYS CB . 16680 1 302 . 1 1 24 24 LYS CD C 13 28.792 0.400 . 1 . . . . 24 LYS CD . 16680 1 303 . 1 1 24 24 LYS CE C 13 41.780 0.400 . 1 . . . . 24 LYS CE . 16680 1 304 . 1 1 24 24 LYS CG C 13 24.910 0.400 . 1 . . . . 24 LYS CG . 16680 1 305 . 1 1 24 24 LYS N N 15 123.547 0.400 . 1 . . . . 24 LYS N . 16680 1 306 . 1 1 25 25 THR H H 1 8.208 0.020 . 1 . . . . 25 THR H . 16680 1 307 . 1 1 25 25 THR HA H 1 4.316 0.020 . 1 . . . . 25 THR HA . 16680 1 308 . 1 1 25 25 THR HB H 1 4.167 0.020 . 1 . . . . 25 THR HB . 16680 1 309 . 1 1 25 25 THR HG21 H 1 1.203 0.020 . 1 . . . . 25 THR HG2 . 16680 1 310 . 1 1 25 25 THR HG22 H 1 1.203 0.020 . 1 . . . . 25 THR HG2 . 16680 1 311 . 1 1 25 25 THR HG23 H 1 1.203 0.020 . 1 . . . . 25 THR HG2 . 16680 1 312 . 1 1 25 25 THR C C 13 174.212 0.400 . 1 . . . . 25 THR C . 16680 1 313 . 1 1 25 25 THR CA C 13 61.708 0.400 . 1 . . . . 25 THR CA . 16680 1 314 . 1 1 25 25 THR CB C 13 70.000 0.400 . 1 . . . . 25 THR CB . 16680 1 315 . 1 1 25 25 THR CG2 C 13 21.648 0.400 . 1 . . . . 25 THR CG2 . 16680 1 316 . 1 1 25 25 THR N N 15 116.466 0.400 . 1 . . . . 25 THR N . 16680 1 317 . 1 1 26 26 ARG H H 1 8.446 0.020 . 1 . . . . 26 ARG H . 16680 1 318 . 1 1 26 26 ARG HA H 1 4.383 0.020 . 1 . . . . 26 ARG HA . 16680 1 319 . 1 1 26 26 ARG HB2 H 1 1.859 0.020 . 2 . . . . 26 ARG HB2 . 16680 1 320 . 1 1 26 26 ARG HB3 H 1 1.772 0.020 . 2 . . . . 26 ARG HB3 . 16680 1 321 . 1 1 26 26 ARG HD2 H 1 3.186 0.020 . 2 . . . . 26 ARG HD2 . 16680 1 322 . 1 1 26 26 ARG HD3 H 1 3.186 0.020 . 2 . . . . 26 ARG HD3 . 16680 1 323 . 1 1 26 26 ARG HG2 H 1 1.583 0.020 . 2 . . . . 26 ARG HG2 . 16680 1 324 . 1 1 26 26 ARG HG3 H 1 1.580 0.020 . 2 . . . . 26 ARG HG3 . 16680 1 325 . 1 1 26 26 ARG C C 13 176.096 0.400 . 1 . . . . 26 ARG C . 16680 1 326 . 1 1 26 26 ARG CA C 13 56.026 0.400 . 1 . . . . 26 ARG CA . 16680 1 327 . 1 1 26 26 ARG CB C 13 31.100 0.400 . 1 . . . . 26 ARG CB . 16680 1 328 . 1 1 26 26 ARG CD C 13 43.761 0.400 . 1 . . . . 26 ARG CD . 16680 1 329 . 1 1 26 26 ARG CG C 13 27.272 0.400 . 1 . . . . 26 ARG CG . 16680 1 330 . 1 1 26 26 ARG N N 15 124.336 0.400 . 1 . . . . 26 ARG N . 16680 1 331 . 1 1 27 27 THR H H 1 8.335 0.020 . 1 . . . . 27 THR H . 16680 1 332 . 1 1 27 27 THR HA H 1 4.052 0.020 . 1 . . . . 27 THR HA . 16680 1 333 . 1 1 27 27 THR HB H 1 4.262 0.020 . 1 . . . . 27 THR HB . 16680 1 334 . 1 1 27 27 THR HG21 H 1 1.218 0.020 . 1 . . . . 27 THR HG2 . 16680 1 335 . 1 1 27 27 THR HG22 H 1 1.218 0.020 . 1 . . . . 27 THR HG2 . 16680 1 336 . 1 1 27 27 THR HG23 H 1 1.218 0.020 . 1 . . . . 27 THR HG2 . 16680 1 337 . 1 1 27 27 THR C C 13 173.888 0.400 . 1 . . . . 27 THR C . 16680 1 338 . 1 1 27 27 THR CA C 13 61.980 0.400 . 1 . . . . 27 THR CA . 16680 1 339 . 1 1 27 27 THR CB C 13 69.672 0.400 . 1 . . . . 27 THR CB . 16680 1 340 . 1 1 27 27 THR CG2 C 13 21.487 0.400 . 1 . . . . 27 THR CG2 . 16680 1 341 . 1 1 27 27 THR N N 15 117.787 0.400 . 1 . . . . 27 THR N . 16680 1 342 . 1 1 28 28 VAL H H 1 8.155 0.020 . 1 . . . . 28 VAL H . 16680 1 343 . 1 1 28 28 VAL HA H 1 4.054 0.020 . 1 . . . . 28 VAL HA . 16680 1 344 . 1 1 28 28 VAL HB H 1 1.947 0.020 . 1 . . . . 28 VAL HB . 16680 1 345 . 1 1 28 28 VAL HG11 H 1 1.044 0.020 . 2 . . . . 28 VAL HG1 . 16680 1 346 . 1 1 28 28 VAL HG12 H 1 1.044 0.020 . 2 . . . . 28 VAL HG1 . 16680 1 347 . 1 1 28 28 VAL HG13 H 1 1.044 0.020 . 2 . . . . 28 VAL HG1 . 16680 1 348 . 1 1 28 28 VAL HG21 H 1 0.768 0.020 . 2 . . . . 28 VAL HG2 . 16680 1 349 . 1 1 28 28 VAL HG22 H 1 0.768 0.020 . 2 . . . . 28 VAL HG2 . 16680 1 350 . 1 1 28 28 VAL HG23 H 1 0.768 0.020 . 2 . . . . 28 VAL HG2 . 16680 1 351 . 1 1 28 28 VAL C C 13 175.518 0.400 . 1 . . . . 28 VAL C . 16680 1 352 . 1 1 28 28 VAL CA C 13 61.959 0.400 . 1 . . . . 28 VAL CA . 16680 1 353 . 1 1 28 28 VAL CB C 13 33.015 0.400 . 1 . . . . 28 VAL CB . 16680 1 354 . 1 1 28 28 VAL CG1 C 13 21.749 0.400 . 1 . . . . 28 VAL CG1 . 16680 1 355 . 1 1 28 28 VAL CG2 C 13 20.849 0.400 . 1 . . . . 28 VAL CG2 . 16680 1 356 . 1 1 28 28 VAL N N 15 123.732 0.400 . 1 . . . . 28 VAL N . 16680 1 357 . 1 1 29 29 PHE H H 1 8.146 0.020 . 1 . . . . 29 PHE H . 16680 1 358 . 1 1 29 29 PHE HA H 1 4.927 0.020 . 1 . . . . 29 PHE HA . 16680 1 359 . 1 1 29 29 PHE HB2 H 1 3.131 0.020 . 2 . . . . 29 PHE HB2 . 16680 1 360 . 1 1 29 29 PHE HB3 H 1 2.809 0.020 . 2 . . . . 29 PHE HB3 . 16680 1 361 . 1 1 29 29 PHE HD1 H 1 7.137 0.020 . 1 . . . . 29 PHE HD1 . 16680 1 362 . 1 1 29 29 PHE HD2 H 1 6.893 0.020 . 1 . . . . 29 PHE HD2 . 16680 1 363 . 1 1 29 29 PHE HE1 H 1 7.013 0.020 . 1 . . . . 29 PHE HE1 . 16680 1 364 . 1 1 29 29 PHE HE2 H 1 7.013 0.020 . 1 . . . . 29 PHE HE2 . 16680 1 365 . 1 1 29 29 PHE HZ H 1 6.920 0.020 . 1 . . . . 29 PHE HZ . 16680 1 366 . 1 1 29 29 PHE C C 13 175.784 0.400 . 1 . . . . 29 PHE C . 16680 1 367 . 1 1 29 29 PHE CA C 13 55.790 0.400 . 1 . . . . 29 PHE CA . 16680 1 368 . 1 1 29 29 PHE CB C 13 40.097 0.400 . 1 . . . . 29 PHE CB . 16680 1 369 . 1 1 29 29 PHE CD1 C 13 131.031 0.400 . 1 . . . . 29 PHE CD1 . 16680 1 370 . 1 1 29 29 PHE CD2 C 13 131.330 0.400 . 1 . . . . 29 PHE CD2 . 16680 1 371 . 1 1 29 29 PHE CE1 C 13 130.984 0.400 . 1 . . . . 29 PHE CE1 . 16680 1 372 . 1 1 29 29 PHE CE2 C 13 130.930 0.400 . 1 . . . . 29 PHE CE2 . 16680 1 373 . 1 1 29 29 PHE CZ C 13 129.110 0.400 . 1 . . . . 29 PHE CZ . 16680 1 374 . 1 1 29 29 PHE N N 15 123.354 0.400 . 1 . . . . 29 PHE N . 16680 1 375 . 1 1 30 30 SER H H 1 9.274 0.020 . 1 . . . . 30 SER H . 16680 1 376 . 1 1 30 30 SER HA H 1 4.620 0.020 . 1 . . . . 30 SER HA . 16680 1 377 . 1 1 30 30 SER HB2 H 1 4.429 0.020 . 2 . . . . 30 SER HB2 . 16680 1 378 . 1 1 30 30 SER HB3 H 1 3.989 0.020 . 2 . . . . 30 SER HB3 . 16680 1 379 . 1 1 30 30 SER C C 13 175.125 0.400 . 1 . . . . 30 SER C . 16680 1 380 . 1 1 30 30 SER CA C 13 56.527 0.400 . 1 . . . . 30 SER CA . 16680 1 381 . 1 1 30 30 SER CB C 13 65.360 0.400 . 1 . . . . 30 SER CB . 16680 1 382 . 1 1 30 30 SER N N 15 118.484 0.400 . 1 . . . . 30 SER N . 16680 1 383 . 1 1 31 31 SER H H 1 9.186 0.020 . 1 . . . . 31 SER H . 16680 1 384 . 1 1 31 31 SER HA H 1 4.180 0.020 . 1 . . . . 31 SER HA . 16680 1 385 . 1 1 31 31 SER HB2 H 1 4.020 0.020 . 2 . . . . 31 SER HB2 . 16680 1 386 . 1 1 31 31 SER HB3 H 1 4.020 0.020 . 2 . . . . 31 SER HB3 . 16680 1 387 . 1 1 31 31 SER C C 13 177.602 0.400 . 1 . . . . 31 SER C . 16680 1 388 . 1 1 31 31 SER CA C 13 62.069 0.400 . 1 . . . . 31 SER CA . 16680 1 389 . 1 1 31 31 SER CB C 13 61.790 0.400 . 1 . . . . 31 SER CB . 16680 1 390 . 1 1 31 31 SER N N 15 116.639 0.400 . 1 . . . . 31 SER N . 16680 1 391 . 1 1 32 32 THR H H 1 8.014 0.020 . 1 . . . . 32 THR H . 16680 1 392 . 1 1 32 32 THR HA H 1 4.020 0.020 . 1 . . . . 32 THR HA . 16680 1 393 . 1 1 32 32 THR HB H 1 4.159 0.020 . 1 . . . . 32 THR HB . 16680 1 394 . 1 1 32 32 THR HG21 H 1 1.213 0.020 . 1 . . . . 32 THR HG2 . 16680 1 395 . 1 1 32 32 THR HG22 H 1 1.213 0.020 . 1 . . . . 32 THR HG2 . 16680 1 396 . 1 1 32 32 THR HG23 H 1 1.213 0.020 . 1 . . . . 32 THR HG2 . 16680 1 397 . 1 1 32 32 THR C C 13 176.405 0.400 . 1 . . . . 32 THR C . 16680 1 398 . 1 1 32 32 THR CA C 13 66.046 0.400 . 1 . . . . 32 THR CA . 16680 1 399 . 1 1 32 32 THR CB C 13 68.600 0.400 . 1 . . . . 32 THR CB . 16680 1 400 . 1 1 32 32 THR CG2 C 13 21.771 0.400 . 1 . . . . 32 THR CG2 . 16680 1 401 . 1 1 32 32 THR N N 15 116.774 0.400 . 1 . . . . 32 THR N . 16680 1 402 . 1 1 33 33 GLN H H 1 7.637 0.020 . 1 . . . . 33 GLN H . 16680 1 403 . 1 1 33 33 GLN HA H 1 3.832 0.020 . 1 . . . . 33 GLN HA . 16680 1 404 . 1 1 33 33 GLN HB2 H 1 2.557 0.020 . 2 . . . . 33 GLN HB2 . 16680 1 405 . 1 1 33 33 GLN HB3 H 1 1.495 0.020 . 2 . . . . 33 GLN HB3 . 16680 1 406 . 1 1 33 33 GLN HE21 H 1 6.809 0.020 . 2 . . . . 33 GLN HE21 . 16680 1 407 . 1 1 33 33 GLN HE22 H 1 7.131 0.020 . 2 . . . . 33 GLN HE22 . 16680 1 408 . 1 1 33 33 GLN HG2 H 1 2.311 0.020 . 2 . . . . 33 GLN HG2 . 16680 1 409 . 1 1 33 33 GLN HG3 H 1 2.337 0.020 . 2 . . . . 33 GLN HG3 . 16680 1 410 . 1 1 33 33 GLN C C 13 177.741 0.400 . 1 . . . . 33 GLN C . 16680 1 411 . 1 1 33 33 GLN CA C 13 59.000 0.400 . 1 . . . . 33 GLN CA . 16680 1 412 . 1 1 33 33 GLN CB C 13 27.800 0.400 . 1 . . . . 33 GLN CB . 16680 1 413 . 1 1 33 33 GLN CG C 13 34.768 0.400 . 1 . . . . 33 GLN CG . 16680 1 414 . 1 1 33 33 GLN N N 15 120.735 0.400 . 1 . . . . 33 GLN N . 16680 1 415 . 1 1 34 34 LEU H H 1 8.377 0.020 . 1 . . . . 34 LEU H . 16680 1 416 . 1 1 34 34 LEU HA H 1 3.636 0.020 . 1 . . . . 34 LEU HA . 16680 1 417 . 1 1 34 34 LEU HB2 H 1 1.764 0.020 . 1 . . . . 34 LEU HB2 . 16680 1 418 . 1 1 34 34 LEU HB3 H 1 1.453 0.020 . 1 . . . . 34 LEU HB3 . 16680 1 419 . 1 1 34 34 LEU HD11 H 1 0.858 0.020 . 2 . . . . 34 LEU HD1 . 16680 1 420 . 1 1 34 34 LEU HD12 H 1 0.858 0.020 . 2 . . . . 34 LEU HD1 . 16680 1 421 . 1 1 34 34 LEU HD13 H 1 0.858 0.020 . 2 . . . . 34 LEU HD1 . 16680 1 422 . 1 1 34 34 LEU HD21 H 1 0.794 0.020 . 2 . . . . 34 LEU HD2 . 16680 1 423 . 1 1 34 34 LEU HD22 H 1 0.794 0.020 . 2 . . . . 34 LEU HD2 . 16680 1 424 . 1 1 34 34 LEU HD23 H 1 0.794 0.020 . 2 . . . . 34 LEU HD2 . 16680 1 425 . 1 1 34 34 LEU HG H 1 1.602 0.020 . 1 . . . . 34 LEU HG . 16680 1 426 . 1 1 34 34 LEU C C 13 178.608 0.400 . 1 . . . . 34 LEU C . 16680 1 427 . 1 1 34 34 LEU CA C 13 57.626 0.400 . 1 . . . . 34 LEU CA . 16680 1 428 . 1 1 34 34 LEU CB C 13 41.821 0.400 . 1 . . . . 34 LEU CB . 16680 1 429 . 1 1 34 34 LEU CD1 C 13 23.494 0.400 . 1 . . . . 34 LEU CD1 . 16680 1 430 . 1 1 34 34 LEU CD2 C 13 23.319 0.400 . 1 . . . . 34 LEU CD2 . 16680 1 431 . 1 1 34 34 LEU CG C 13 26.934 0.400 . 1 . . . . 34 LEU CG . 16680 1 432 . 1 1 34 34 LEU N N 15 117.044 0.400 . 1 . . . . 34 LEU N . 16680 1 433 . 1 1 35 35 CYS H H 1 8.016 0.020 . 1 . . . . 35 CYS H . 16680 1 434 . 1 1 35 35 CYS HA H 1 4.174 0.020 . 1 . . . . 35 CYS HA . 16680 1 435 . 1 1 35 35 CYS HB2 H 1 3.054 0.020 . 2 . . . . 35 CYS HB2 . 16680 1 436 . 1 1 35 35 CYS HB3 H 1 3.057 0.020 . 2 . . . . 35 CYS HB3 . 16680 1 437 . 1 1 35 35 CYS C C 13 177.318 0.400 . 1 . . . . 35 CYS C . 16680 1 438 . 1 1 35 35 CYS CA C 13 63.139 0.400 . 1 . . . . 35 CYS CA . 16680 1 439 . 1 1 35 35 CYS CB C 13 26.300 0.400 . 1 . . . . 35 CYS CB . 16680 1 440 . 1 1 35 35 CYS N N 15 118.575 0.400 . 1 . . . . 35 CYS N . 16680 1 441 . 1 1 36 36 VAL H H 1 7.439 0.020 . 1 . . . . 36 VAL H . 16680 1 442 . 1 1 36 36 VAL HA H 1 3.832 0.020 . 1 . . . . 36 VAL HA . 16680 1 443 . 1 1 36 36 VAL HB H 1 2.037 0.020 . 1 . . . . 36 VAL HB . 16680 1 444 . 1 1 36 36 VAL HG11 H 1 0.856 0.020 . 1 . . . . 36 VAL HG1 . 16680 1 445 . 1 1 36 36 VAL HG12 H 1 0.856 0.020 . 1 . . . . 36 VAL HG1 . 16680 1 446 . 1 1 36 36 VAL HG13 H 1 0.856 0.020 . 1 . . . . 36 VAL HG1 . 16680 1 447 . 1 1 36 36 VAL HG21 H 1 1.040 0.020 . 1 . . . . 36 VAL HG2 . 16680 1 448 . 1 1 36 36 VAL HG22 H 1 1.040 0.020 . 1 . . . . 36 VAL HG2 . 16680 1 449 . 1 1 36 36 VAL HG23 H 1 1.040 0.020 . 1 . . . . 36 VAL HG2 . 16680 1 450 . 1 1 36 36 VAL C C 13 178.694 0.400 . 1 . . . . 36 VAL C . 16680 1 451 . 1 1 36 36 VAL CA C 13 66.200 0.400 . 1 . . . . 36 VAL CA . 16680 1 452 . 1 1 36 36 VAL CB C 13 31.506 0.400 . 1 . . . . 36 VAL CB . 16680 1 453 . 1 1 36 36 VAL CG1 C 13 22.215 0.400 . 1 . . . . 36 VAL CG1 . 16680 1 454 . 1 1 36 36 VAL CG2 C 13 22.032 0.400 . 1 . . . . 36 VAL CG2 . 16680 1 455 . 1 1 36 36 VAL N N 15 120.195 0.400 . 1 . . . . 36 VAL N . 16680 1 456 . 1 1 37 37 LEU H H 1 7.997 0.020 . 1 . . . . 37 LEU H . 16680 1 457 . 1 1 37 37 LEU HA H 1 3.487 0.020 . 1 . . . . 37 LEU HA . 16680 1 458 . 1 1 37 37 LEU HB2 H 1 0.612 0.020 . 2 . . . . 37 LEU HB2 . 16680 1 459 . 1 1 37 37 LEU HB3 H 1 -0.748 0.020 . 2 . . . . 37 LEU HB3 . 16680 1 460 . 1 1 37 37 LEU HD11 H 1 0.367 0.020 . 2 . . . . 37 LEU HD1 . 16680 1 461 . 1 1 37 37 LEU HD12 H 1 0.367 0.020 . 2 . . . . 37 LEU HD1 . 16680 1 462 . 1 1 37 37 LEU HD13 H 1 0.367 0.020 . 2 . . . . 37 LEU HD1 . 16680 1 463 . 1 1 37 37 LEU HD21 H 1 -0.594 0.020 . 2 . . . . 37 LEU HD2 . 16680 1 464 . 1 1 37 37 LEU HD22 H 1 -0.594 0.020 . 2 . . . . 37 LEU HD2 . 16680 1 465 . 1 1 37 37 LEU HD23 H 1 -0.594 0.020 . 2 . . . . 37 LEU HD2 . 16680 1 466 . 1 1 37 37 LEU HG H 1 1.095 0.020 . 1 . . . . 37 LEU HG . 16680 1 467 . 1 1 37 37 LEU C C 13 177.684 0.400 . 1 . . . . 37 LEU C . 16680 1 468 . 1 1 37 37 LEU CA C 13 58.616 0.400 . 1 . . . . 37 LEU CA . 16680 1 469 . 1 1 37 37 LEU CB C 13 38.700 0.400 . 1 . . . . 37 LEU CB . 16680 1 470 . 1 1 37 37 LEU CD1 C 13 22.936 0.400 . 1 . . . . 37 LEU CD1 . 16680 1 471 . 1 1 37 37 LEU CD2 C 13 24.248 0.400 . 1 . . . . 37 LEU CD2 . 16680 1 472 . 1 1 37 37 LEU CG C 13 25.720 0.400 . 1 . . . . 37 LEU CG . 16680 1 473 . 1 1 37 37 LEU N N 15 120.839 0.400 . 1 . . . . 37 LEU N . 16680 1 474 . 1 1 38 38 ASN H H 1 8.457 0.020 . 1 . . . . 38 ASN H . 16680 1 475 . 1 1 38 38 ASN HA H 1 4.579 0.020 . 1 . . . . 38 ASN HA . 16680 1 476 . 1 1 38 38 ASN HB2 H 1 2.889 0.020 . 2 . . . . 38 ASN HB2 . 16680 1 477 . 1 1 38 38 ASN HB3 H 1 2.746 0.020 . 2 . . . . 38 ASN HB3 . 16680 1 478 . 1 1 38 38 ASN HD21 H 1 7.023 0.020 . 2 . . . . 38 ASN HD21 . 16680 1 479 . 1 1 38 38 ASN HD22 H 1 7.474 0.020 . 2 . . . . 38 ASN HD22 . 16680 1 480 . 1 1 38 38 ASN C C 13 177.980 0.400 . 1 . . . . 38 ASN C . 16680 1 481 . 1 1 38 38 ASN CA C 13 57.100 0.400 . 1 . . . . 38 ASN CA . 16680 1 482 . 1 1 38 38 ASN CB C 13 38.880 0.400 . 1 . . . . 38 ASN CB . 16680 1 483 . 1 1 38 38 ASN N N 15 115.784 0.400 . 1 . . . . 38 ASN N . 16680 1 484 . 1 1 39 39 ASP H H 1 8.003 0.020 . 1 . . . . 39 ASP H . 16680 1 485 . 1 1 39 39 ASP HA H 1 4.434 0.020 . 1 . . . . 39 ASP HA . 16680 1 486 . 1 1 39 39 ASP HB2 H 1 2.870 0.020 . 2 . . . . 39 ASP HB2 . 16680 1 487 . 1 1 39 39 ASP HB3 H 1 2.781 0.020 . 2 . . . . 39 ASP HB3 . 16680 1 488 . 1 1 39 39 ASP C C 13 178.354 0.400 . 1 . . . . 39 ASP C . 16680 1 489 . 1 1 39 39 ASP CA C 13 57.700 0.400 . 1 . . . . 39 ASP CA . 16680 1 490 . 1 1 39 39 ASP CB C 13 41.800 0.400 . 1 . . . . 39 ASP CB . 16680 1 491 . 1 1 39 39 ASP N N 15 119.935 0.400 . 1 . . . . 39 ASP N . 16680 1 492 . 1 1 40 40 ARG H H 1 8.214 0.020 . 1 . . . . 40 ARG H . 16680 1 493 . 1 1 40 40 ARG HA H 1 4.146 0.020 . 1 . . . . 40 ARG HA . 16680 1 494 . 1 1 40 40 ARG HB2 H 1 2.217 0.020 . 2 . . . . 40 ARG HB2 . 16680 1 495 . 1 1 40 40 ARG HB3 H 1 2.204 0.020 . 2 . . . . 40 ARG HB3 . 16680 1 496 . 1 1 40 40 ARG HD2 H 1 3.453 0.020 . 2 . . . . 40 ARG HD2 . 16680 1 497 . 1 1 40 40 ARG HD3 H 1 3.368 0.020 . 2 . . . . 40 ARG HD3 . 16680 1 498 . 1 1 40 40 ARG HG2 H 1 1.743 0.020 . 2 . . . . 40 ARG HG2 . 16680 1 499 . 1 1 40 40 ARG HG3 H 1 1.632 0.020 . 2 . . . . 40 ARG HG3 . 16680 1 500 . 1 1 40 40 ARG C C 13 178.235 0.400 . 1 . . . . 40 ARG C . 16680 1 501 . 1 1 40 40 ARG CA C 13 57.409 0.400 . 1 . . . . 40 ARG CA . 16680 1 502 . 1 1 40 40 ARG CB C 13 29.341 0.400 . 1 . . . . 40 ARG CB . 16680 1 503 . 1 1 40 40 ARG CD C 13 41.557 0.400 . 1 . . . . 40 ARG CD . 16680 1 504 . 1 1 40 40 ARG CG C 13 32.705 0.400 . 1 . . . . 40 ARG CG . 16680 1 505 . 1 1 40 40 ARG N N 15 117.674 0.400 . 1 . . . . 40 ARG N . 16680 1 506 . 1 1 41 41 PHE H H 1 8.861 0.020 . 1 . . . . 41 PHE H . 16680 1 507 . 1 1 41 41 PHE HA H 1 4.627 0.020 . 1 . . . . 41 PHE HA . 16680 1 508 . 1 1 41 41 PHE HB2 H 1 3.300 0.020 . 2 . . . . 41 PHE HB2 . 16680 1 509 . 1 1 41 41 PHE HB3 H 1 3.318 0.020 . 2 . . . . 41 PHE HB3 . 16680 1 510 . 1 1 41 41 PHE HD1 H 1 7.404 0.020 . 1 . . . . 41 PHE HD1 . 16680 1 511 . 1 1 41 41 PHE HD2 H 1 7.385 0.020 . 1 . . . . 41 PHE HD2 . 16680 1 512 . 1 1 41 41 PHE HE1 H 1 7.269 0.020 . 1 . . . . 41 PHE HE1 . 16680 1 513 . 1 1 41 41 PHE HE2 H 1 7.268 0.020 . 1 . . . . 41 PHE HE2 . 16680 1 514 . 1 1 41 41 PHE HZ H 1 7.409 0.020 . 1 . . . . 41 PHE HZ . 16680 1 515 . 1 1 41 41 PHE C C 13 176.478 0.400 . 1 . . . . 41 PHE C . 16680 1 516 . 1 1 41 41 PHE CA C 13 60.600 0.400 . 1 . . . . 41 PHE CA . 16680 1 517 . 1 1 41 41 PHE CB C 13 39.679 0.400 . 1 . . . . 41 PHE CB . 16680 1 518 . 1 1 41 41 PHE CD1 C 13 131.824 0.400 . 1 . . . . 41 PHE CD1 . 16680 1 519 . 1 1 41 41 PHE CD2 C 13 131.330 0.400 . 1 . . . . 41 PHE CD2 . 16680 1 520 . 1 1 41 41 PHE CE1 C 13 132.212 0.400 . 1 . . . . 41 PHE CE1 . 16680 1 521 . 1 1 41 41 PHE CE2 C 13 132.238 0.400 . 1 . . . . 41 PHE CE2 . 16680 1 522 . 1 1 41 41 PHE CZ C 13 129.110 0.400 . 1 . . . . 41 PHE CZ . 16680 1 523 . 1 1 41 41 PHE N N 15 119.925 0.400 . 1 . . . . 41 PHE N . 16680 1 524 . 1 1 42 42 GLN H H 1 7.976 0.020 . 1 . . . . 42 GLN H . 16680 1 525 . 1 1 42 42 GLN HA H 1 3.891 0.020 . 1 . . . . 42 GLN HA . 16680 1 526 . 1 1 42 42 GLN HB2 H 1 2.231 0.020 . 2 . . . . 42 GLN HB2 . 16680 1 527 . 1 1 42 42 GLN HB3 H 1 2.224 0.020 . 2 . . . . 42 GLN HB3 . 16680 1 528 . 1 1 42 42 GLN HE21 H 1 7.216 0.020 . 2 . . . . 42 GLN HE21 . 16680 1 529 . 1 1 42 42 GLN HE22 H 1 7.576 0.020 . 2 . . . . 42 GLN HE22 . 16680 1 530 . 1 1 42 42 GLN HG2 H 1 2.624 0.020 . 2 . . . . 42 GLN HG2 . 16680 1 531 . 1 1 42 42 GLN HG3 H 1 2.636 0.020 . 2 . . . . 42 GLN HG3 . 16680 1 532 . 1 1 42 42 GLN C C 13 177.354 0.400 . 1 . . . . 42 GLN C . 16680 1 533 . 1 1 42 42 GLN CA C 13 58.100 0.400 . 1 . . . . 42 GLN CA . 16680 1 534 . 1 1 42 42 GLN CB C 13 28.500 0.400 . 1 . . . . 42 GLN CB . 16680 1 535 . 1 1 42 42 GLN CG C 13 33.864 0.400 . 1 . . . . 42 GLN CG . 16680 1 536 . 1 1 42 42 GLN N N 15 114.614 0.400 . 1 . . . . 42 GLN N . 16680 1 537 . 1 1 43 43 ARG H H 1 7.439 0.020 . 1 . . . . 43 ARG H . 16680 1 538 . 1 1 43 43 ARG HA H 1 4.334 0.020 . 1 . . . . 43 ARG HA . 16680 1 539 . 1 1 43 43 ARG HB2 H 1 1.927 0.020 . 2 . . . . 43 ARG HB2 . 16680 1 540 . 1 1 43 43 ARG HB3 H 1 1.922 0.020 . 2 . . . . 43 ARG HB3 . 16680 1 541 . 1 1 43 43 ARG HD2 H 1 3.239 0.020 . 2 . . . . 43 ARG HD2 . 16680 1 542 . 1 1 43 43 ARG HD3 H 1 3.173 0.020 . 2 . . . . 43 ARG HD3 . 16680 1 543 . 1 1 43 43 ARG HG2 H 1 1.750 0.020 . 2 . . . . 43 ARG HG2 . 16680 1 544 . 1 1 43 43 ARG HG3 H 1 1.814 0.020 . 2 . . . . 43 ARG HG3 . 16680 1 545 . 1 1 43 43 ARG C C 13 176.728 0.400 . 1 . . . . 43 ARG C . 16680 1 546 . 1 1 43 43 ARG CA C 13 57.200 0.400 . 1 . . . . 43 ARG CA . 16680 1 547 . 1 1 43 43 ARG CB C 13 31.671 0.400 . 1 . . . . 43 ARG CB . 16680 1 548 . 1 1 43 43 ARG CD C 13 43.703 0.400 . 1 . . . . 43 ARG CD . 16680 1 549 . 1 1 43 43 ARG CG C 13 27.632 0.400 . 1 . . . . 43 ARG CG . 16680 1 550 . 1 1 43 43 ARG N N 15 115.874 0.400 . 1 . . . . 43 ARG N . 16680 1 551 . 1 1 44 44 GLN H H 1 8.455 0.020 . 1 . . . . 44 GLN H . 16680 1 552 . 1 1 44 44 GLN HA H 1 4.345 0.020 . 1 . . . . 44 GLN HA . 16680 1 553 . 1 1 44 44 GLN HB2 H 1 2.039 0.020 . 2 . . . . 44 GLN HB2 . 16680 1 554 . 1 1 44 44 GLN HB3 H 1 1.921 0.020 . 2 . . . . 44 GLN HB3 . 16680 1 555 . 1 1 44 44 GLN HE21 H 1 6.792 0.020 . 2 . . . . 44 GLN HE21 . 16680 1 556 . 1 1 44 44 GLN HE22 H 1 7.131 0.020 . 2 . . . . 44 GLN HE22 . 16680 1 557 . 1 1 44 44 GLN HG2 H 1 2.329 0.020 . 2 . . . . 44 GLN HG2 . 16680 1 558 . 1 1 44 44 GLN HG3 H 1 2.330 0.020 . 2 . . . . 44 GLN HG3 . 16680 1 559 . 1 1 44 44 GLN C C 13 172.633 0.400 . 1 . . . . 44 GLN C . 16680 1 560 . 1 1 44 44 GLN CA C 13 55.865 0.400 . 1 . . . . 44 GLN CA . 16680 1 561 . 1 1 44 44 GLN CB C 13 31.231 0.400 . 1 . . . . 44 GLN CB . 16680 1 562 . 1 1 44 44 GLN CG C 13 34.142 0.400 . 1 . . . . 44 GLN CG . 16680 1 563 . 1 1 44 44 GLN N N 15 121.365 0.400 . 1 . . . . 44 GLN N . 16680 1 564 . 1 1 45 45 LYS H H 1 8.014 0.020 . 1 . . . . 45 LYS H . 16680 1 565 . 1 1 45 45 LYS HA H 1 3.950 0.020 . 1 . . . . 45 LYS HA . 16680 1 566 . 1 1 45 45 LYS HB2 H 1 1.575 0.020 . 2 . . . . 45 LYS HB2 . 16680 1 567 . 1 1 45 45 LYS HB3 H 1 1.603 0.020 . 2 . . . . 45 LYS HB3 . 16680 1 568 . 1 1 45 45 LYS HD2 H 1 1.377 0.020 . 2 . . . . 45 LYS HD2 . 16680 1 569 . 1 1 45 45 LYS HD3 H 1 1.424 0.020 . 2 . . . . 45 LYS HD3 . 16680 1 570 . 1 1 45 45 LYS HE2 H 1 3.347 0.020 . 2 . . . . 45 LYS HE2 . 16680 1 571 . 1 1 45 45 LYS HE3 H 1 3.379 0.020 . 2 . . . . 45 LYS HE3 . 16680 1 572 . 1 1 45 45 LYS HG2 H 1 1.080 0.020 . 2 . . . . 45 LYS HG2 . 16680 1 573 . 1 1 45 45 LYS HG3 H 1 0.775 0.020 . 2 . . . . 45 LYS HG3 . 16680 1 574 . 1 1 45 45 LYS C C 13 175.822 0.400 . 1 . . . . 45 LYS C . 16680 1 575 . 1 1 45 45 LYS CA C 13 57.342 0.400 . 1 . . . . 45 LYS CA . 16680 1 576 . 1 1 45 45 LYS CB C 13 32.800 0.400 . 1 . . . . 45 LYS CB . 16680 1 577 . 1 1 45 45 LYS CD C 13 28.780 0.400 . 1 . . . . 45 LYS CD . 16680 1 578 . 1 1 45 45 LYS CE C 13 41.457 0.400 . 1 . . . . 45 LYS CE . 16680 1 579 . 1 1 45 45 LYS CG C 13 24.910 0.400 . 1 . . . . 45 LYS CG . 16680 1 580 . 1 1 45 45 LYS N N 15 120.440 0.400 . 1 . . . . 45 LYS N . 16680 1 581 . 1 1 46 46 TYR H H 1 7.722 0.020 . 1 . . . . 46 TYR H . 16680 1 582 . 1 1 46 46 TYR HA H 1 4.544 0.020 . 1 . . . . 46 TYR HA . 16680 1 583 . 1 1 46 46 TYR HB2 H 1 2.924 0.020 . 2 . . . . 46 TYR HB2 . 16680 1 584 . 1 1 46 46 TYR HB3 H 1 2.787 0.020 . 2 . . . . 46 TYR HB3 . 16680 1 585 . 1 1 46 46 TYR HD1 H 1 7.117 0.020 . 1 . . . . 46 TYR HD1 . 16680 1 586 . 1 1 46 46 TYR HD2 H 1 7.119 0.020 . 1 . . . . 46 TYR HD2 . 16680 1 587 . 1 1 46 46 TYR HE1 H 1 6.805 0.020 . 1 . . . . 46 TYR HE1 . 16680 1 588 . 1 1 46 46 TYR HE2 H 1 6.804 0.020 . 1 . . . . 46 TYR HE2 . 16680 1 589 . 1 1 46 46 TYR C C 13 174.456 0.400 . 1 . . . . 46 TYR C . 16680 1 590 . 1 1 46 46 TYR CA C 13 57.000 0.400 . 1 . . . . 46 TYR CA . 16680 1 591 . 1 1 46 46 TYR CB C 13 40.100 0.400 . 1 . . . . 46 TYR CB . 16680 1 592 . 1 1 46 46 TYR CD1 C 13 133.362 0.400 . 1 . . . . 46 TYR CD1 . 16680 1 593 . 1 1 46 46 TYR CD2 C 13 133.363 0.400 . 1 . . . . 46 TYR CD2 . 16680 1 594 . 1 1 46 46 TYR CE1 C 13 117.970 0.400 . 1 . . . . 46 TYR CE1 . 16680 1 595 . 1 1 46 46 TYR CE2 C 13 117.924 0.400 . 1 . . . . 46 TYR CE2 . 16680 1 596 . 1 1 46 46 TYR N N 15 115.064 0.400 . 1 . . . . 46 TYR N . 16680 1 597 . 1 1 47 47 LEU H H 1 7.871 0.020 . 1 . . . . 47 LEU H . 16680 1 598 . 1 1 47 47 LEU HA H 1 4.538 0.020 . 1 . . . . 47 LEU HA . 16680 1 599 . 1 1 47 47 LEU HB2 H 1 1.525 0.020 . 2 . . . . 47 LEU HB2 . 16680 1 600 . 1 1 47 47 LEU HB3 H 1 1.025 0.020 . 2 . . . . 47 LEU HB3 . 16680 1 601 . 1 1 47 47 LEU HD11 H 1 0.311 0.020 . 2 . . . . 47 LEU HD1 . 16680 1 602 . 1 1 47 47 LEU HD12 H 1 0.311 0.020 . 2 . . . . 47 LEU HD1 . 16680 1 603 . 1 1 47 47 LEU HD13 H 1 0.311 0.020 . 2 . . . . 47 LEU HD1 . 16680 1 604 . 1 1 47 47 LEU HD21 H 1 0.443 0.020 . 2 . . . . 47 LEU HD2 . 16680 1 605 . 1 1 47 47 LEU HD22 H 1 0.443 0.020 . 2 . . . . 47 LEU HD2 . 16680 1 606 . 1 1 47 47 LEU HD23 H 1 0.443 0.020 . 2 . . . . 47 LEU HD2 . 16680 1 607 . 1 1 47 47 LEU HG H 1 1.193 0.020 . 1 . . . . 47 LEU HG . 16680 1 608 . 1 1 47 47 LEU C C 13 176.577 0.400 . 1 . . . . 47 LEU C . 16680 1 609 . 1 1 47 47 LEU CA C 13 54.004 0.400 . 1 . . . . 47 LEU CA . 16680 1 610 . 1 1 47 47 LEU CB C 13 44.563 0.400 . 1 . . . . 47 LEU CB . 16680 1 611 . 1 1 47 47 LEU CD1 C 13 25.362 0.400 . 1 . . . . 47 LEU CD1 . 16680 1 612 . 1 1 47 47 LEU CD2 C 13 24.721 0.400 . 1 . . . . 47 LEU CD2 . 16680 1 613 . 1 1 47 47 LEU CG C 13 29.005 0.400 . 1 . . . . 47 LEU CG . 16680 1 614 . 1 1 47 47 LEU N N 15 124.426 0.400 . 1 . . . . 47 LEU N . 16680 1 615 . 1 1 48 48 SER H H 1 8.611 0.020 . 1 . . . . 48 SER H . 16680 1 616 . 1 1 48 48 SER HA H 1 4.485 0.020 . 1 . . . . 48 SER HA . 16680 1 617 . 1 1 48 48 SER HB2 H 1 3.995 0.020 . 2 . . . . 48 SER HB2 . 16680 1 618 . 1 1 48 48 SER HB3 H 1 4.422 0.020 . 2 . . . . 48 SER HB3 . 16680 1 619 . 1 1 48 48 SER C C 13 174.598 0.400 . 1 . . . . 48 SER C . 16680 1 620 . 1 1 48 48 SER CA C 13 56.800 0.400 . 1 . . . . 48 SER CA . 16680 1 621 . 1 1 48 48 SER CB C 13 65.519 0.400 . 1 . . . . 48 SER CB . 16680 1 622 . 1 1 48 48 SER N N 15 117.224 0.400 . 1 . . . . 48 SER N . 16680 1 623 . 1 1 49 49 LEU H H 1 8.740 0.020 . 1 . . . . 49 LEU H . 16680 1 624 . 1 1 49 49 LEU HA H 1 4.200 0.020 . 1 . . . . 49 LEU HA . 16680 1 625 . 1 1 49 49 LEU HB2 H 1 1.707 0.020 . 2 . . . . 49 LEU HB2 . 16680 1 626 . 1 1 49 49 LEU HB3 H 1 1.786 0.020 . 2 . . . . 49 LEU HB3 . 16680 1 627 . 1 1 49 49 LEU HD11 H 1 0.862 0.020 . 2 . . . . 49 LEU HD1 . 16680 1 628 . 1 1 49 49 LEU HD12 H 1 0.862 0.020 . 2 . . . . 49 LEU HD1 . 16680 1 629 . 1 1 49 49 LEU HD13 H 1 0.862 0.020 . 2 . . . . 49 LEU HD1 . 16680 1 630 . 1 1 49 49 LEU HD21 H 1 0.854 0.020 . 2 . . . . 49 LEU HD2 . 16680 1 631 . 1 1 49 49 LEU HD22 H 1 0.854 0.020 . 2 . . . . 49 LEU HD2 . 16680 1 632 . 1 1 49 49 LEU HD23 H 1 0.854 0.020 . 2 . . . . 49 LEU HD2 . 16680 1 633 . 1 1 49 49 LEU HG H 1 1.452 0.020 . 1 . . . . 49 LEU HG . 16680 1 634 . 1 1 49 49 LEU C C 13 179.256 0.400 . 1 . . . . 49 LEU C . 16680 1 635 . 1 1 49 49 LEU CA C 13 59.411 0.400 . 1 . . . . 49 LEU CA . 16680 1 636 . 1 1 49 49 LEU CB C 13 41.623 0.400 . 1 . . . . 49 LEU CB . 16680 1 637 . 1 1 49 49 LEU CD1 C 13 24.730 0.400 . 1 . . . . 49 LEU CD1 . 16680 1 638 . 1 1 49 49 LEU CD2 C 13 24.100 0.400 . 1 . . . . 49 LEU CD2 . 16680 1 639 . 1 1 49 49 LEU CG C 13 26.770 0.400 . 1 . . . . 49 LEU CG . 16680 1 640 . 1 1 49 49 LEU N N 15 122.806 0.400 . 1 . . . . 49 LEU N . 16680 1 641 . 1 1 50 50 GLN H H 1 8.532 0.020 . 1 . . . . 50 GLN H . 16680 1 642 . 1 1 50 50 GLN HA H 1 4.036 0.020 . 1 . . . . 50 GLN HA . 16680 1 643 . 1 1 50 50 GLN HB2 H 1 2.123 0.020 . 2 . . . . 50 GLN HB2 . 16680 1 644 . 1 1 50 50 GLN HB3 H 1 1.966 0.020 . 2 . . . . 50 GLN HB3 . 16680 1 645 . 1 1 50 50 GLN HE21 H 1 7.661 0.020 . 2 . . . . 50 GLN HE21 . 16680 1 646 . 1 1 50 50 GLN HE22 H 1 6.877 0.020 . 2 . . . . 50 GLN HE22 . 16680 1 647 . 1 1 50 50 GLN HG2 H 1 2.443 0.020 . 2 . . . . 50 GLN HG2 . 16680 1 648 . 1 1 50 50 GLN HG3 H 1 2.436 0.020 . 2 . . . . 50 GLN HG3 . 16680 1 649 . 1 1 50 50 GLN C C 13 179.246 0.400 . 1 . . . . 50 GLN C . 16680 1 650 . 1 1 50 50 GLN CA C 13 59.694 0.400 . 1 . . . . 50 GLN CA . 16680 1 651 . 1 1 50 50 GLN CB C 13 27.900 0.400 . 1 . . . . 50 GLN CB . 16680 1 652 . 1 1 50 50 GLN CG C 13 33.721 0.400 . 1 . . . . 50 GLN CG . 16680 1 653 . 1 1 50 50 GLN N N 15 117.494 0.400 . 1 . . . . 50 GLN N . 16680 1 654 . 1 1 51 51 GLN H H 1 7.883 0.020 . 1 . . . . 51 GLN H . 16680 1 655 . 1 1 51 51 GLN HA H 1 4.119 0.020 . 1 . . . . 51 GLN HA . 16680 1 656 . 1 1 51 51 GLN HB2 H 1 1.783 0.020 . 2 . . . . 51 GLN HB2 . 16680 1 657 . 1 1 51 51 GLN HB3 H 1 2.316 0.020 . 2 . . . . 51 GLN HB3 . 16680 1 658 . 1 1 51 51 GLN HE21 H 1 6.868 0.020 . 2 . . . . 51 GLN HE21 . 16680 1 659 . 1 1 51 51 GLN HE22 H 1 6.676 0.020 . 2 . . . . 51 GLN HE22 . 16680 1 660 . 1 1 51 51 GLN HG2 H 1 2.493 0.020 . 2 . . . . 51 GLN HG2 . 16680 1 661 . 1 1 51 51 GLN HG3 H 1 2.183 0.020 . 2 . . . . 51 GLN HG3 . 16680 1 662 . 1 1 51 51 GLN C C 13 179.991 0.400 . 1 . . . . 51 GLN C . 16680 1 663 . 1 1 51 51 GLN CA C 13 58.820 0.400 . 1 . . . . 51 GLN CA . 16680 1 664 . 1 1 51 51 GLN CB C 13 28.932 0.400 . 1 . . . . 51 GLN CB . 16680 1 665 . 1 1 51 51 GLN CG C 13 34.055 0.400 . 1 . . . . 51 GLN CG . 16680 1 666 . 1 1 51 51 GLN N N 15 118.575 0.400 . 1 . . . . 51 GLN N . 16680 1 667 . 1 1 52 52 MET H H 1 8.725 0.020 . 1 . . . . 52 MET H . 16680 1 668 . 1 1 52 52 MET HA H 1 3.969 0.020 . 1 . . . . 52 MET HA . 16680 1 669 . 1 1 52 52 MET HB2 H 1 1.946 0.020 . 2 . . . . 52 MET HB2 . 16680 1 670 . 1 1 52 52 MET HB3 H 1 1.926 0.020 . 2 . . . . 52 MET HB3 . 16680 1 671 . 1 1 52 52 MET HE1 H 1 1.975 0.020 . 1 . . . . 52 MET HE . 16680 1 672 . 1 1 52 52 MET HE2 H 1 1.975 0.020 . 1 . . . . 52 MET HE . 16680 1 673 . 1 1 52 52 MET HE3 H 1 1.975 0.020 . 1 . . . . 52 MET HE . 16680 1 674 . 1 1 52 52 MET HG2 H 1 2.556 0.020 . 2 . . . . 52 MET HG2 . 16680 1 675 . 1 1 52 52 MET HG3 H 1 2.414 0.020 . 2 . . . . 52 MET HG3 . 16680 1 676 . 1 1 52 52 MET C C 13 178.638 0.400 . 1 . . . . 52 MET C . 16680 1 677 . 1 1 52 52 MET CA C 13 60.200 0.400 . 1 . . . . 52 MET CA . 16680 1 678 . 1 1 52 52 MET CB C 13 33.400 0.400 . 1 . . . . 52 MET CB . 16680 1 679 . 1 1 52 52 MET CE C 13 17.196 0.400 . 1 . . . . 52 MET CE . 16680 1 680 . 1 1 52 52 MET CG C 13 33.820 0.400 . 1 . . . . 52 MET CG . 16680 1 681 . 1 1 52 52 MET N N 15 120.555 0.400 . 1 . . . . 52 MET N . 16680 1 682 . 1 1 53 53 GLN H H 1 8.779 0.020 . 1 . . . . 53 GLN H . 16680 1 683 . 1 1 53 53 GLN HA H 1 4.133 0.020 . 1 . . . . 53 GLN HA . 16680 1 684 . 1 1 53 53 GLN HB2 H 1 2.152 0.020 . 2 . . . . 53 GLN HB2 . 16680 1 685 . 1 1 53 53 GLN HB3 H 1 2.108 0.020 . 2 . . . . 53 GLN HB3 . 16680 1 686 . 1 1 53 53 GLN HE21 H 1 7.247 0.020 . 2 . . . . 53 GLN HE21 . 16680 1 687 . 1 1 53 53 GLN HE22 H 1 6.947 0.020 . 2 . . . . 53 GLN HE22 . 16680 1 688 . 1 1 53 53 GLN HG2 H 1 2.252 0.020 . 2 . . . . 53 GLN HG2 . 16680 1 689 . 1 1 53 53 GLN HG3 H 1 2.452 0.020 . 2 . . . . 53 GLN HG3 . 16680 1 690 . 1 1 53 53 GLN C C 13 178.626 0.400 . 1 . . . . 53 GLN C . 16680 1 691 . 1 1 53 53 GLN CA C 13 59.721 0.400 . 1 . . . . 53 GLN CA . 16680 1 692 . 1 1 53 53 GLN CB C 13 29.513 0.400 . 1 . . . . 53 GLN CB . 16680 1 693 . 1 1 53 53 GLN CG C 13 36.158 0.400 . 1 . . . . 53 GLN CG . 16680 1 694 . 1 1 53 53 GLN N N 15 121.635 0.400 . 1 . . . . 53 GLN N . 16680 1 695 . 1 1 54 54 GLU H H 1 8.275 0.020 . 1 . . . . 54 GLU H . 16680 1 696 . 1 1 54 54 GLU HA H 1 4.147 0.020 . 1 . . . . 54 GLU HA . 16680 1 697 . 1 1 54 54 GLU HB2 H 1 2.159 0.020 . 2 . . . . 54 GLU HB2 . 16680 1 698 . 1 1 54 54 GLU HB3 H 1 2.095 0.020 . 2 . . . . 54 GLU HB3 . 16680 1 699 . 1 1 54 54 GLU HG2 H 1 2.456 0.020 . 2 . . . . 54 GLU HG2 . 16680 1 700 . 1 1 54 54 GLU HG3 H 1 2.423 0.020 . 2 . . . . 54 GLU HG3 . 16680 1 701 . 1 1 54 54 GLU C C 13 178.765 0.400 . 1 . . . . 54 GLU C . 16680 1 702 . 1 1 54 54 GLU CA C 13 59.716 0.400 . 1 . . . . 54 GLU CA . 16680 1 703 . 1 1 54 54 GLU CB C 13 29.594 0.400 . 1 . . . . 54 GLU CB . 16680 1 704 . 1 1 54 54 GLU CG C 13 36.022 0.400 . 1 . . . . 54 GLU CG . 16680 1 705 . 1 1 54 54 GLU N N 15 120.765 0.400 . 1 . . . . 54 GLU N . 16680 1 706 . 1 1 55 55 LEU H H 1 7.968 0.020 . 1 . . . . 55 LEU H . 16680 1 707 . 1 1 55 55 LEU HA H 1 4.137 0.020 . 1 . . . . 55 LEU HA . 16680 1 708 . 1 1 55 55 LEU HB2 H 1 1.657 0.020 . 2 . . . . 55 LEU HB2 . 16680 1 709 . 1 1 55 55 LEU HB3 H 1 1.758 0.020 . 2 . . . . 55 LEU HB3 . 16680 1 710 . 1 1 55 55 LEU HD11 H 1 0.880 0.020 . 2 . . . . 55 LEU HD1 . 16680 1 711 . 1 1 55 55 LEU HD12 H 1 0.880 0.020 . 2 . . . . 55 LEU HD1 . 16680 1 712 . 1 1 55 55 LEU HD13 H 1 0.880 0.020 . 2 . . . . 55 LEU HD1 . 16680 1 713 . 1 1 55 55 LEU HD21 H 1 0.851 0.020 . 2 . . . . 55 LEU HD2 . 16680 1 714 . 1 1 55 55 LEU HD22 H 1 0.851 0.020 . 2 . . . . 55 LEU HD2 . 16680 1 715 . 1 1 55 55 LEU HD23 H 1 0.851 0.020 . 2 . . . . 55 LEU HD2 . 16680 1 716 . 1 1 55 55 LEU HG H 1 1.451 0.020 . 1 . . . . 55 LEU HG . 16680 1 717 . 1 1 55 55 LEU C C 13 178.285 0.400 . 1 . . . . 55 LEU C . 16680 1 718 . 1 1 55 55 LEU CA C 13 57.524 0.400 . 1 . . . . 55 LEU CA . 16680 1 719 . 1 1 55 55 LEU CB C 13 42.245 0.400 . 1 . . . . 55 LEU CB . 16680 1 720 . 1 1 55 55 LEU CD1 C 13 24.730 0.400 . 1 . . . . 55 LEU CD1 . 16680 1 721 . 1 1 55 55 LEU CD2 C 13 24.393 0.400 . 1 . . . . 55 LEU CD2 . 16680 1 722 . 1 1 55 55 LEU CG C 13 24.882 0.400 . 1 . . . . 55 LEU CG . 16680 1 723 . 1 1 55 55 LEU N N 15 119.033 0.400 . 1 . . . . 55 LEU N . 16680 1 724 . 1 1 56 56 SER H H 1 8.255 0.020 . 1 . . . . 56 SER H . 16680 1 725 . 1 1 56 56 SER HA H 1 3.933 0.020 . 1 . . . . 56 SER HA . 16680 1 726 . 1 1 56 56 SER HB2 H 1 4.084 0.020 . 2 . . . . 56 SER HB2 . 16680 1 727 . 1 1 56 56 SER HB3 H 1 3.843 0.020 . 2 . . . . 56 SER HB3 . 16680 1 728 . 1 1 56 56 SER C C 13 175.874 0.400 . 1 . . . . 56 SER C . 16680 1 729 . 1 1 56 56 SER CA C 13 63.975 0.400 . 1 . . . . 56 SER CA . 16680 1 730 . 1 1 56 56 SER CB C 13 62.417 0.400 . 1 . . . . 56 SER CB . 16680 1 731 . 1 1 56 56 SER N N 15 114.524 0.400 . 1 . . . . 56 SER N . 16680 1 732 . 1 1 57 57 ASN H H 1 7.784 0.020 . 1 . . . . 57 ASN H . 16680 1 733 . 1 1 57 57 ASN HA H 1 4.599 0.020 . 1 . . . . 57 ASN HA . 16680 1 734 . 1 1 57 57 ASN HB2 H 1 2.957 0.020 . 2 . . . . 57 ASN HB2 . 16680 1 735 . 1 1 57 57 ASN HB3 H 1 3.066 0.020 . 2 . . . . 57 ASN HB3 . 16680 1 736 . 1 1 57 57 ASN HD21 H 1 7.646 0.020 . 2 . . . . 57 ASN HD21 . 16680 1 737 . 1 1 57 57 ASN HD22 H 1 6.958 0.020 . 2 . . . . 57 ASN HD22 . 16680 1 738 . 1 1 57 57 ASN C C 13 178.426 0.400 . 1 . . . . 57 ASN C . 16680 1 739 . 1 1 57 57 ASN CA C 13 56.200 0.400 . 1 . . . . 57 ASN CA . 16680 1 740 . 1 1 57 57 ASN CB C 13 38.420 0.400 . 1 . . . . 57 ASN CB . 16680 1 741 . 1 1 57 57 ASN N N 15 119.565 0.400 . 1 . . . . 57 ASN N . 16680 1 742 . 1 1 58 58 ILE H H 1 8.129 0.020 . 1 . . . . 58 ILE H . 16680 1 743 . 1 1 58 58 ILE HA H 1 3.939 0.020 . 1 . . . . 58 ILE HA . 16680 1 744 . 1 1 58 58 ILE HB H 1 1.975 0.020 . 1 . . . . 58 ILE HB . 16680 1 745 . 1 1 58 58 ILE HD11 H 1 0.875 0.020 . 1 . . . . 58 ILE HD1 . 16680 1 746 . 1 1 58 58 ILE HD12 H 1 0.875 0.020 . 1 . . . . 58 ILE HD1 . 16680 1 747 . 1 1 58 58 ILE HD13 H 1 0.875 0.020 . 1 . . . . 58 ILE HD1 . 16680 1 748 . 1 1 58 58 ILE HG12 H 1 1.708 0.020 . 2 . . . . 58 ILE HG12 . 16680 1 749 . 1 1 58 58 ILE HG13 H 1 1.302 0.020 . 2 . . . . 58 ILE HG13 . 16680 1 750 . 1 1 58 58 ILE HG21 H 1 0.970 0.020 . 1 . . . . 58 ILE HG2 . 16680 1 751 . 1 1 58 58 ILE HG22 H 1 0.970 0.020 . 1 . . . . 58 ILE HG2 . 16680 1 752 . 1 1 58 58 ILE HG23 H 1 0.970 0.020 . 1 . . . . 58 ILE HG2 . 16680 1 753 . 1 1 58 58 ILE C C 13 177.935 0.400 . 1 . . . . 58 ILE C . 16680 1 754 . 1 1 58 58 ILE CA C 13 64.092 0.400 . 1 . . . . 58 ILE CA . 16680 1 755 . 1 1 58 58 ILE CB C 13 38.702 0.400 . 1 . . . . 58 ILE CB . 16680 1 756 . 1 1 58 58 ILE CD1 C 13 13.852 0.400 . 1 . . . . 58 ILE CD1 . 16680 1 757 . 1 1 58 58 ILE CG1 C 13 28.729 0.400 . 1 . . . . 58 ILE CG1 . 16680 1 758 . 1 1 58 58 ILE CG2 C 13 17.144 0.400 . 1 . . . . 58 ILE CG2 . 16680 1 759 . 1 1 58 58 ILE N N 15 119.295 0.400 . 1 . . . . 58 ILE N . 16680 1 760 . 1 1 59 59 LEU H H 1 7.875 0.020 . 1 . . . . 59 LEU H . 16680 1 761 . 1 1 59 59 LEU HA H 1 4.328 0.020 . 1 . . . . 59 LEU HA . 16680 1 762 . 1 1 59 59 LEU HB2 H 1 1.687 0.020 . 2 . . . . 59 LEU HB2 . 16680 1 763 . 1 1 59 59 LEU HB3 H 1 1.375 0.020 . 2 . . . . 59 LEU HB3 . 16680 1 764 . 1 1 59 59 LEU HD11 H 1 0.831 0.020 . 2 . . . . 59 LEU HD1 . 16680 1 765 . 1 1 59 59 LEU HD12 H 1 0.831 0.020 . 2 . . . . 59 LEU HD1 . 16680 1 766 . 1 1 59 59 LEU HD13 H 1 0.831 0.020 . 2 . . . . 59 LEU HD1 . 16680 1 767 . 1 1 59 59 LEU HD21 H 1 0.644 0.020 . 2 . . . . 59 LEU HD2 . 16680 1 768 . 1 1 59 59 LEU HD22 H 1 0.644 0.020 . 2 . . . . 59 LEU HD2 . 16680 1 769 . 1 1 59 59 LEU HD23 H 1 0.644 0.020 . 2 . . . . 59 LEU HD2 . 16680 1 770 . 1 1 59 59 LEU HG H 1 1.702 0.020 . 1 . . . . 59 LEU HG . 16680 1 771 . 1 1 59 59 LEU C C 13 176.370 0.400 . 1 . . . . 59 LEU C . 16680 1 772 . 1 1 59 59 LEU CA C 13 54.530 0.400 . 1 . . . . 59 LEU CA . 16680 1 773 . 1 1 59 59 LEU CB C 13 43.200 0.400 . 1 . . . . 59 LEU CB . 16680 1 774 . 1 1 59 59 LEU CD1 C 13 22.187 0.400 . 1 . . . . 59 LEU CD1 . 16680 1 775 . 1 1 59 59 LEU CD2 C 13 26.414 0.400 . 1 . . . . 59 LEU CD2 . 16680 1 776 . 1 1 59 59 LEU CG C 13 29.021 0.400 . 1 . . . . 59 LEU CG . 16680 1 777 . 1 1 59 59 LEU N N 15 116.414 0.400 . 1 . . . . 59 LEU N . 16680 1 778 . 1 1 60 60 ASN H H 1 7.924 0.020 . 1 . . . . 60 ASN H . 16680 1 779 . 1 1 60 60 ASN HA H 1 4.440 0.020 . 1 . . . . 60 ASN HA . 16680 1 780 . 1 1 60 60 ASN HB2 H 1 2.789 0.020 . 2 . . . . 60 ASN HB2 . 16680 1 781 . 1 1 60 60 ASN HB3 H 1 3.202 0.020 . 2 . . . . 60 ASN HB3 . 16680 1 782 . 1 1 60 60 ASN HD21 H 1 7.449 0.020 . 2 . . . . 60 ASN HD21 . 16680 1 783 . 1 1 60 60 ASN HD22 H 1 6.771 0.020 . 2 . . . . 60 ASN HD22 . 16680 1 784 . 1 1 60 60 ASN C C 13 174.083 0.400 . 1 . . . . 60 ASN C . 16680 1 785 . 1 1 60 60 ASN CA C 13 54.500 0.400 . 1 . . . . 60 ASN CA . 16680 1 786 . 1 1 60 60 ASN CB C 13 37.100 0.400 . 1 . . . . 60 ASN CB . 16680 1 787 . 1 1 60 60 ASN N N 15 116.684 0.400 . 1 . . . . 60 ASN N . 16680 1 788 . 1 1 61 61 LEU H H 1 8.085 0.020 . 1 . . . . 61 LEU H . 16680 1 789 . 1 1 61 61 LEU HA H 1 4.783 0.020 . 1 . . . . 61 LEU HA . 16680 1 790 . 1 1 61 61 LEU HB2 H 1 1.455 0.020 . 2 . . . . 61 LEU HB2 . 16680 1 791 . 1 1 61 61 LEU HB3 H 1 1.183 0.020 . 2 . . . . 61 LEU HB3 . 16680 1 792 . 1 1 61 61 LEU HD11 H 1 0.404 0.020 . 2 . . . . 61 LEU HD1 . 16680 1 793 . 1 1 61 61 LEU HD12 H 1 0.404 0.020 . 2 . . . . 61 LEU HD1 . 16680 1 794 . 1 1 61 61 LEU HD13 H 1 0.404 0.020 . 2 . . . . 61 LEU HD1 . 16680 1 795 . 1 1 61 61 LEU HD21 H 1 0.801 0.020 . 2 . . . . 61 LEU HD2 . 16680 1 796 . 1 1 61 61 LEU HD22 H 1 0.801 0.020 . 2 . . . . 61 LEU HD2 . 16680 1 797 . 1 1 61 61 LEU HD23 H 1 0.801 0.020 . 2 . . . . 61 LEU HD2 . 16680 1 798 . 1 1 61 61 LEU HG H 1 1.430 0.020 . 1 . . . . 61 LEU HG . 16680 1 799 . 1 1 61 61 LEU C C 13 176.195 0.400 . 1 . . . . 61 LEU C . 16680 1 800 . 1 1 61 61 LEU CA C 13 52.600 0.400 . 1 . . . . 61 LEU CA . 16680 1 801 . 1 1 61 61 LEU CB C 13 47.700 0.400 . 1 . . . . 61 LEU CB . 16680 1 802 . 1 1 61 61 LEU CD1 C 13 26.026 0.400 . 1 . . . . 61 LEU CD1 . 16680 1 803 . 1 1 61 61 LEU CD2 C 13 23.166 0.400 . 1 . . . . 61 LEU CD2 . 16680 1 804 . 1 1 61 61 LEU CG C 13 26.770 0.400 . 1 . . . . 61 LEU CG . 16680 1 805 . 1 1 61 61 LEU N N 15 118.207 0.400 . 1 . . . . 61 LEU N . 16680 1 806 . 1 1 62 62 SER H H 1 8.920 0.020 . 1 . . . . 62 SER H . 16680 1 807 . 1 1 62 62 SER HA H 1 4.618 0.020 . 1 . . . . 62 SER HA . 16680 1 808 . 1 1 62 62 SER HB2 H 1 4.003 0.020 . 2 . . . . 62 SER HB2 . 16680 1 809 . 1 1 62 62 SER HB3 H 1 4.381 0.020 . 2 . . . . 62 SER HB3 . 16680 1 810 . 1 1 62 62 SER C C 13 175.469 0.400 . 1 . . . . 62 SER C . 16680 1 811 . 1 1 62 62 SER CA C 13 57.300 0.400 . 1 . . . . 62 SER CA . 16680 1 812 . 1 1 62 62 SER CB C 13 64.935 0.400 . 1 . . . . 62 SER CB . 16680 1 813 . 1 1 62 62 SER N N 15 116.414 0.400 . 1 . . . . 62 SER N . 16680 1 814 . 1 1 63 63 TYR H H 1 9.060 0.020 . 1 . . . . 63 TYR H . 16680 1 815 . 1 1 63 63 TYR HA H 1 4.285 0.020 . 1 . . . . 63 TYR HA . 16680 1 816 . 1 1 63 63 TYR HB2 H 1 3.268 0.020 . 2 . . . . 63 TYR HB2 . 16680 1 817 . 1 1 63 63 TYR HB3 H 1 3.060 0.020 . 2 . . . . 63 TYR HB3 . 16680 1 818 . 1 1 63 63 TYR HD1 H 1 6.941 0.020 . 1 . . . . 63 TYR HD1 . 16680 1 819 . 1 1 63 63 TYR HD2 H 1 6.945 0.020 . 1 . . . . 63 TYR HD2 . 16680 1 820 . 1 1 63 63 TYR HE1 H 1 6.876 0.020 . 1 . . . . 63 TYR HE1 . 16680 1 821 . 1 1 63 63 TYR HE2 H 1 6.881 0.020 . 1 . . . . 63 TYR HE2 . 16680 1 822 . 1 1 63 63 TYR C C 13 177.033 0.400 . 1 . . . . 63 TYR C . 16680 1 823 . 1 1 63 63 TYR CA C 13 61.300 0.400 . 1 . . . . 63 TYR CA . 16680 1 824 . 1 1 63 63 TYR CB C 13 38.195 0.400 . 1 . . . . 63 TYR CB . 16680 1 825 . 1 1 63 63 TYR CD1 C 13 132.630 0.400 . 1 . . . . 63 TYR CD1 . 16680 1 826 . 1 1 63 63 TYR CD2 C 13 132.575 0.400 . 1 . . . . 63 TYR CD2 . 16680 1 827 . 1 1 63 63 TYR CE1 C 13 118.280 0.400 . 1 . . . . 63 TYR CE1 . 16680 1 828 . 1 1 63 63 TYR CE2 C 13 118.229 0.400 . 1 . . . . 63 TYR CE2 . 16680 1 829 . 1 1 63 63 TYR N N 15 124.696 0.400 . 1 . . . . 63 TYR N . 16680 1 830 . 1 1 64 64 LYS H H 1 8.425 0.020 . 1 . . . . 64 LYS H . 16680 1 831 . 1 1 64 64 LYS HA H 1 3.769 0.020 . 1 . . . . 64 LYS HA . 16680 1 832 . 1 1 64 64 LYS HB2 H 1 1.940 0.020 . 2 . . . . 64 LYS HB2 . 16680 1 833 . 1 1 64 64 LYS HB3 H 1 1.818 0.020 . 2 . . . . 64 LYS HB3 . 16680 1 834 . 1 1 64 64 LYS HD2 H 1 1.610 0.020 . 2 . . . . 64 LYS HD2 . 16680 1 835 . 1 1 64 64 LYS HD3 H 1 1.610 0.020 . 2 . . . . 64 LYS HD3 . 16680 1 836 . 1 1 64 64 LYS HE2 H 1 2.930 0.020 . 2 . . . . 64 LYS HE2 . 16680 1 837 . 1 1 64 64 LYS HE3 H 1 2.930 0.020 . 2 . . . . 64 LYS HE3 . 16680 1 838 . 1 1 64 64 LYS HG2 H 1 1.379 0.020 . 2 . . . . 64 LYS HG2 . 16680 1 839 . 1 1 64 64 LYS HG3 H 1 1.370 0.020 . 2 . . . . 64 LYS HG3 . 16680 1 840 . 1 1 64 64 LYS C C 13 179.564 0.400 . 1 . . . . 64 LYS C . 16680 1 841 . 1 1 64 64 LYS CA C 13 59.900 0.400 . 1 . . . . 64 LYS CA . 16680 1 842 . 1 1 64 64 LYS CB C 13 32.484 0.400 . 1 . . . . 64 LYS CB . 16680 1 843 . 1 1 64 64 LYS CD C 13 28.780 0.400 . 1 . . . . 64 LYS CD . 16680 1 844 . 1 1 64 64 LYS CE C 13 41.780 0.400 . 1 . . . . 64 LYS CE . 16680 1 845 . 1 1 64 64 LYS CG C 13 24.910 0.400 . 1 . . . . 64 LYS CG . 16680 1 846 . 1 1 64 64 LYS N N 15 117.648 0.400 . 1 . . . . 64 LYS N . 16680 1 847 . 1 1 65 65 GLN H H 1 8.011 0.020 . 1 . . . . 65 GLN H . 16680 1 848 . 1 1 65 65 GLN HA H 1 4.187 0.020 . 1 . . . . 65 GLN HA . 16680 1 849 . 1 1 65 65 GLN HB2 H 1 2.024 0.020 . 2 . . . . 65 GLN HB2 . 16680 1 850 . 1 1 65 65 GLN HB3 H 1 2.587 0.020 . 2 . . . . 65 GLN HB3 . 16680 1 851 . 1 1 65 65 GLN HE21 H 1 7.170 0.020 . 2 . . . . 65 GLN HE21 . 16680 1 852 . 1 1 65 65 GLN HE22 H 1 7.070 0.020 . 2 . . . . 65 GLN HE22 . 16680 1 853 . 1 1 65 65 GLN HG2 H 1 2.526 0.020 . 2 . . . . 65 GLN HG2 . 16680 1 854 . 1 1 65 65 GLN HG3 H 1 2.553 0.020 . 2 . . . . 65 GLN HG3 . 16680 1 855 . 1 1 65 65 GLN C C 13 179.208 0.400 . 1 . . . . 65 GLN C . 16680 1 856 . 1 1 65 65 GLN CA C 13 59.400 0.400 . 1 . . . . 65 GLN CA . 16680 1 857 . 1 1 65 65 GLN CB C 13 29.300 0.400 . 1 . . . . 65 GLN CB . 16680 1 858 . 1 1 65 65 GLN CG C 13 33.720 0.400 . 1 . . . . 65 GLN CG . 16680 1 859 . 1 1 65 65 GLN N N 15 119.529 0.400 . 1 . . . . 65 GLN N . 16680 1 860 . 1 1 66 66 VAL H H 1 7.848 0.020 . 1 . . . . 66 VAL H . 16680 1 861 . 1 1 66 66 VAL HA H 1 3.647 0.020 . 1 . . . . 66 VAL HA . 16680 1 862 . 1 1 66 66 VAL HB H 1 2.158 0.020 . 1 . . . . 66 VAL HB . 16680 1 863 . 1 1 66 66 VAL HG11 H 1 1.067 0.020 . 2 . . . . 66 VAL HG1 . 16680 1 864 . 1 1 66 66 VAL HG12 H 1 1.067 0.020 . 2 . . . . 66 VAL HG1 . 16680 1 865 . 1 1 66 66 VAL HG13 H 1 1.067 0.020 . 2 . . . . 66 VAL HG1 . 16680 1 866 . 1 1 66 66 VAL HG21 H 1 0.881 0.020 . 2 . . . . 66 VAL HG2 . 16680 1 867 . 1 1 66 66 VAL HG22 H 1 0.881 0.020 . 2 . . . . 66 VAL HG2 . 16680 1 868 . 1 1 66 66 VAL HG23 H 1 0.881 0.020 . 2 . . . . 66 VAL HG2 . 16680 1 869 . 1 1 66 66 VAL C C 13 177.032 0.400 . 1 . . . . 66 VAL C . 16680 1 870 . 1 1 66 66 VAL CA C 13 67.600 0.400 . 1 . . . . 66 VAL CA . 16680 1 871 . 1 1 66 66 VAL CB C 13 31.900 0.400 . 1 . . . . 66 VAL CB . 16680 1 872 . 1 1 66 66 VAL CG1 C 13 22.142 0.400 . 1 . . . . 66 VAL CG1 . 16680 1 873 . 1 1 66 66 VAL CG2 C 13 24.325 0.400 . 1 . . . . 66 VAL CG2 . 16680 1 874 . 1 1 66 66 VAL N N 15 120.915 0.400 . 1 . . . . 66 VAL N . 16680 1 875 . 1 1 67 67 LYS H H 1 8.861 0.020 . 1 . . . . 67 LYS H . 16680 1 876 . 1 1 67 67 LYS HA H 1 4.173 0.020 . 1 . . . . 67 LYS HA . 16680 1 877 . 1 1 67 67 LYS HB2 H 1 1.669 0.020 . 2 . . . . 67 LYS HB2 . 16680 1 878 . 1 1 67 67 LYS HB3 H 1 1.500 0.020 . 2 . . . . 67 LYS HB3 . 16680 1 879 . 1 1 67 67 LYS HD2 H 1 1.610 0.020 . 2 . . . . 67 LYS HD2 . 16680 1 880 . 1 1 67 67 LYS HD3 H 1 1.610 0.020 . 2 . . . . 67 LYS HD3 . 16680 1 881 . 1 1 67 67 LYS HE2 H 1 2.963 0.020 . 2 . . . . 67 LYS HE2 . 16680 1 882 . 1 1 67 67 LYS HE3 H 1 2.957 0.020 . 2 . . . . 67 LYS HE3 . 16680 1 883 . 1 1 67 67 LYS HG2 H 1 1.380 0.020 . 2 . . . . 67 LYS HG2 . 16680 1 884 . 1 1 67 67 LYS HG3 H 1 1.370 0.020 . 2 . . . . 67 LYS HG3 . 16680 1 885 . 1 1 67 67 LYS C C 13 179.886 0.400 . 1 . . . . 67 LYS C . 16680 1 886 . 1 1 67 67 LYS CA C 13 60.300 0.400 . 1 . . . . 67 LYS CA . 16680 1 887 . 1 1 67 67 LYS CB C 13 32.700 0.400 . 1 . . . . 67 LYS CB . 16680 1 888 . 1 1 67 67 LYS CD C 13 28.780 0.400 . 1 . . . . 67 LYS CD . 16680 1 889 . 1 1 67 67 LYS CE C 13 41.780 0.400 . 1 . . . . 67 LYS CE . 16680 1 890 . 1 1 67 67 LYS CG C 13 24.910 0.400 . 1 . . . . 67 LYS CG . 16680 1 891 . 1 1 67 67 LYS N N 15 121.185 0.400 . 1 . . . . 67 LYS N . 16680 1 892 . 1 1 68 68 THR H H 1 8.346 0.020 . 1 . . . . 68 THR H . 16680 1 893 . 1 1 68 68 THR HA H 1 3.961 0.020 . 1 . . . . 68 THR HA . 16680 1 894 . 1 1 68 68 THR HB H 1 4.348 0.020 . 1 . . . . 68 THR HB . 16680 1 895 . 1 1 68 68 THR HG21 H 1 1.312 0.020 . 1 . . . . 68 THR HG2 . 16680 1 896 . 1 1 68 68 THR HG22 H 1 1.312 0.020 . 1 . . . . 68 THR HG2 . 16680 1 897 . 1 1 68 68 THR HG23 H 1 1.312 0.020 . 1 . . . . 68 THR HG2 . 16680 1 898 . 1 1 68 68 THR C C 13 175.178 0.400 . 1 . . . . 68 THR C . 16680 1 899 . 1 1 68 68 THR CA C 13 66.700 0.400 . 1 . . . . 68 THR CA . 16680 1 900 . 1 1 68 68 THR CB C 13 69.600 0.400 . 1 . . . . 68 THR CB . 16680 1 901 . 1 1 68 68 THR CG2 C 13 21.480 0.400 . 1 . . . . 68 THR CG2 . 16680 1 902 . 1 1 68 68 THR N N 15 115.604 0.400 . 1 . . . . 68 THR N . 16680 1 903 . 1 1 69 69 TRP H H 1 8.156 0.020 . 1 . . . . 69 TRP H . 16680 1 904 . 1 1 69 69 TRP HA H 1 4.061 0.020 . 1 . . . . 69 TRP HA . 16680 1 905 . 1 1 69 69 TRP HB2 H 1 3.498 0.020 . 2 . . . . 69 TRP HB2 . 16680 1 906 . 1 1 69 69 TRP HB3 H 1 3.304 0.020 . 2 . . . . 69 TRP HB3 . 16680 1 907 . 1 1 69 69 TRP HD1 H 1 6.879 0.020 . 1 . . . . 69 TRP HD1 . 16680 1 908 . 1 1 69 69 TRP HE1 H 1 9.431 0.020 . 1 . . . . 69 TRP HE1 . 16680 1 909 . 1 1 69 69 TRP HE3 H 1 6.522 0.020 . 1 . . . . 69 TRP HE3 . 16680 1 910 . 1 1 69 69 TRP HH2 H 1 6.976 0.020 . 1 . . . . 69 TRP HH2 . 16680 1 911 . 1 1 69 69 TRP HZ2 H 1 6.966 0.020 . 1 . . . . 69 TRP HZ2 . 16680 1 912 . 1 1 69 69 TRP HZ3 H 1 6.688 0.020 . 1 . . . . 69 TRP HZ3 . 16680 1 913 . 1 1 69 69 TRP C C 13 179.230 0.400 . 1 . . . . 69 TRP C . 16680 1 914 . 1 1 69 69 TRP CA C 13 63.300 0.400 . 1 . . . . 69 TRP CA . 16680 1 915 . 1 1 69 69 TRP CB C 13 28.600 0.400 . 1 . . . . 69 TRP CB . 16680 1 916 . 1 1 69 69 TRP CD1 C 13 127.087 0.400 . 1 . . . . 69 TRP CD1 . 16680 1 917 . 1 1 69 69 TRP CE3 C 13 120.657 0.400 . 1 . . . . 69 TRP CE3 . 16680 1 918 . 1 1 69 69 TRP CH2 C 13 123.750 0.400 . 1 . . . . 69 TRP CH2 . 16680 1 919 . 1 1 69 69 TRP CZ2 C 13 114.201 0.400 . 1 . . . . 69 TRP CZ2 . 16680 1 920 . 1 1 69 69 TRP CZ3 C 13 121.570 0.400 . 1 . . . . 69 TRP CZ3 . 16680 1 921 . 1 1 69 69 TRP N N 15 123.886 0.400 . 1 . . . . 69 TRP N . 16680 1 922 . 1 1 70 70 PHE H H 1 8.627 0.020 . 1 . . . . 70 PHE H . 16680 1 923 . 1 1 70 70 PHE HA H 1 3.636 0.020 . 1 . . . . 70 PHE HA . 16680 1 924 . 1 1 70 70 PHE HB2 H 1 3.268 0.020 . 2 . . . . 70 PHE HB2 . 16680 1 925 . 1 1 70 70 PHE HB3 H 1 3.327 0.020 . 2 . . . . 70 PHE HB3 . 16680 1 926 . 1 1 70 70 PHE HD1 H 1 7.243 0.020 . 1 . . . . 70 PHE HD1 . 16680 1 927 . 1 1 70 70 PHE HD2 H 1 7.245 0.020 . 1 . . . . 70 PHE HD2 . 16680 1 928 . 1 1 70 70 PHE HE1 H 1 7.248 0.020 . 1 . . . . 70 PHE HE1 . 16680 1 929 . 1 1 70 70 PHE HE2 H 1 7.249 0.020 . 1 . . . . 70 PHE HE2 . 16680 1 930 . 1 1 70 70 PHE HZ H 1 6.917 0.020 . 1 . . . . 70 PHE HZ . 16680 1 931 . 1 1 70 70 PHE C C 13 178.007 0.400 . 1 . . . . 70 PHE C . 16680 1 932 . 1 1 70 70 PHE CA C 13 63.804 0.400 . 1 . . . . 70 PHE CA . 16680 1 933 . 1 1 70 70 PHE CB C 13 39.494 0.400 . 1 . . . . 70 PHE CB . 16680 1 934 . 1 1 70 70 PHE CD1 C 13 128.760 0.400 . 1 . . . . 70 PHE CD1 . 16680 1 935 . 1 1 70 70 PHE CD2 C 13 128.496 0.400 . 1 . . . . 70 PHE CD2 . 16680 1 936 . 1 1 70 70 PHE CE1 C 13 128.830 0.400 . 1 . . . . 70 PHE CE1 . 16680 1 937 . 1 1 70 70 PHE CE2 C 13 128.877 0.400 . 1 . . . . 70 PHE CE2 . 16680 1 938 . 1 1 70 70 PHE CZ C 13 129.099 0.400 . 1 . . . . 70 PHE CZ . 16680 1 939 . 1 1 70 70 PHE N N 15 117.944 0.400 . 1 . . . . 70 PHE N . 16680 1 940 . 1 1 71 71 GLN H H 1 8.100 0.020 . 1 . . . . 71 GLN H . 16680 1 941 . 1 1 71 71 GLN HA H 1 3.980 0.020 . 1 . . . . 71 GLN HA . 16680 1 942 . 1 1 71 71 GLN HB2 H 1 2.293 0.020 . 2 . . . . 71 GLN HB2 . 16680 1 943 . 1 1 71 71 GLN HB3 H 1 2.141 0.020 . 2 . . . . 71 GLN HB3 . 16680 1 944 . 1 1 71 71 GLN HE21 H 1 7.576 0.020 . 2 . . . . 71 GLN HE21 . 16680 1 945 . 1 1 71 71 GLN HE22 H 1 7.069 0.020 . 2 . . . . 71 GLN HE22 . 16680 1 946 . 1 1 71 71 GLN HG2 H 1 2.293 0.020 . 2 . . . . 71 GLN HG2 . 16680 1 947 . 1 1 71 71 GLN HG3 H 1 2.319 0.020 . 2 . . . . 71 GLN HG3 . 16680 1 948 . 1 1 71 71 GLN C C 13 178.685 0.400 . 1 . . . . 71 GLN C . 16680 1 949 . 1 1 71 71 GLN CA C 13 59.400 0.400 . 1 . . . . 71 GLN CA . 16680 1 950 . 1 1 71 71 GLN CB C 13 28.400 0.400 . 1 . . . . 71 GLN CB . 16680 1 951 . 1 1 71 71 GLN CG C 13 33.720 0.400 . 1 . . . . 71 GLN CG . 16680 1 952 . 1 1 71 71 GLN N N 15 118.124 0.400 . 1 . . . . 71 GLN N . 16680 1 953 . 1 1 72 72 ASN H H 1 8.422 0.020 . 1 . . . . 72 ASN H . 16680 1 954 . 1 1 72 72 ASN HA H 1 4.340 0.020 . 1 . . . . 72 ASN HA . 16680 1 955 . 1 1 72 72 ASN HB2 H 1 2.708 0.020 . 2 . . . . 72 ASN HB2 . 16680 1 956 . 1 1 72 72 ASN HB3 H 1 2.482 0.020 . 2 . . . . 72 ASN HB3 . 16680 1 957 . 1 1 72 72 ASN HD21 H 1 7.489 0.020 . 2 . . . . 72 ASN HD21 . 16680 1 958 . 1 1 72 72 ASN HD22 H 1 6.877 0.020 . 2 . . . . 72 ASN HD22 . 16680 1 959 . 1 1 72 72 ASN C C 13 177.850 0.400 . 1 . . . . 72 ASN C . 16680 1 960 . 1 1 72 72 ASN CA C 13 55.232 0.400 . 1 . . . . 72 ASN CA . 16680 1 961 . 1 1 72 72 ASN CB C 13 37.700 0.400 . 1 . . . . 72 ASN CB . 16680 1 962 . 1 1 72 72 ASN N N 15 117.999 0.400 . 1 . . . . 72 ASN N . 16680 1 963 . 1 1 73 73 GLN H H 1 7.921 0.020 . 1 . . . . 73 GLN H . 16680 1 964 . 1 1 73 73 GLN HA H 1 3.372 0.020 . 1 . . . . 73 GLN HA . 16680 1 965 . 1 1 73 73 GLN HB2 H 1 0.567 0.020 . 2 . . . . 73 GLN HB2 . 16680 1 966 . 1 1 73 73 GLN HB3 H 1 0.418 0.020 . 2 . . . . 73 GLN HB3 . 16680 1 967 . 1 1 73 73 GLN HE21 H 1 7.170 0.020 . 2 . . . . 73 GLN HE21 . 16680 1 968 . 1 1 73 73 GLN HE22 H 1 7.070 0.020 . 2 . . . . 73 GLN HE22 . 16680 1 969 . 1 1 73 73 GLN HG2 H 1 1.737 0.020 . 2 . . . . 73 GLN HG2 . 16680 1 970 . 1 1 73 73 GLN HG3 H 1 1.479 0.020 . 2 . . . . 73 GLN HG3 . 16680 1 971 . 1 1 73 73 GLN C C 13 179.020 0.400 . 1 . . . . 73 GLN C . 16680 1 972 . 1 1 73 73 GLN CA C 13 57.400 0.400 . 1 . . . . 73 GLN CA . 16680 1 973 . 1 1 73 73 GLN CB C 13 26.473 0.400 . 1 . . . . 73 GLN CB . 16680 1 974 . 1 1 73 73 GLN N N 15 120.633 0.400 . 1 . . . . 73 GLN N . 16680 1 975 . 1 1 74 74 ARG H H 1 7.965 0.020 . 1 . . . . 74 ARG H . 16680 1 976 . 1 1 74 74 ARG HA H 1 4.138 0.020 . 1 . . . . 74 ARG HA . 16680 1 977 . 1 1 74 74 ARG HB2 H 1 2.124 0.020 . 2 . . . . 74 ARG HB2 . 16680 1 978 . 1 1 74 74 ARG HB3 H 1 1.816 0.020 . 2 . . . . 74 ARG HB3 . 16680 1 979 . 1 1 74 74 ARG HD2 H 1 2.799 0.020 . 2 . . . . 74 ARG HD2 . 16680 1 980 . 1 1 74 74 ARG HD3 H 1 2.815 0.020 . 2 . . . . 74 ARG HD3 . 16680 1 981 . 1 1 74 74 ARG HG2 H 1 1.489 0.020 . 2 . . . . 74 ARG HG2 . 16680 1 982 . 1 1 74 74 ARG HG3 H 1 1.482 0.020 . 2 . . . . 74 ARG HG3 . 16680 1 983 . 1 1 74 74 ARG C C 13 178.658 0.400 . 1 . . . . 74 ARG C . 16680 1 984 . 1 1 74 74 ARG CA C 13 59.778 0.400 . 1 . . . . 74 ARG CA . 16680 1 985 . 1 1 74 74 ARG CB C 13 28.554 0.400 . 1 . . . . 74 ARG CB . 16680 1 986 . 1 1 74 74 ARG CD C 13 43.526 0.400 . 1 . . . . 74 ARG CD . 16680 1 987 . 1 1 74 74 ARG CG C 13 29.300 0.400 . 1 . . . . 74 ARG CG . 16680 1 988 . 1 1 74 74 ARG N N 15 118.714 0.400 . 1 . . . . 74 ARG N . 16680 1 989 . 1 1 75 75 MET H H 1 7.604 0.020 . 1 . . . . 75 MET H . 16680 1 990 . 1 1 75 75 MET HA H 1 4.277 0.020 . 1 . . . . 75 MET HA . 16680 1 991 . 1 1 75 75 MET HB2 H 1 2.130 0.020 . 2 . . . . 75 MET HB2 . 16680 1 992 . 1 1 75 75 MET HB3 H 1 2.134 0.020 . 2 . . . . 75 MET HB3 . 16680 1 993 . 1 1 75 75 MET HE1 H 1 2.087 0.020 . 1 . . . . 75 MET HE . 16680 1 994 . 1 1 75 75 MET HE2 H 1 2.087 0.020 . 1 . . . . 75 MET HE . 16680 1 995 . 1 1 75 75 MET HE3 H 1 2.087 0.020 . 1 . . . . 75 MET HE . 16680 1 996 . 1 1 75 75 MET HG2 H 1 2.586 0.020 . 2 . . . . 75 MET HG2 . 16680 1 997 . 1 1 75 75 MET HG3 H 1 2.724 0.020 . 2 . . . . 75 MET HG3 . 16680 1 998 . 1 1 75 75 MET C C 13 177.685 0.400 . 1 . . . . 75 MET C . 16680 1 999 . 1 1 75 75 MET CA C 13 57.300 0.400 . 1 . . . . 75 MET CA . 16680 1 1000 . 1 1 75 75 MET CB C 13 32.300 0.400 . 1 . . . . 75 MET CB . 16680 1 1001 . 1 1 75 75 MET CE C 13 17.196 0.400 . 1 . . . . 75 MET CE . 16680 1 1002 . 1 1 75 75 MET CG C 13 32.115 0.400 . 1 . . . . 75 MET CG . 16680 1 1003 . 1 1 75 75 MET N N 15 117.224 0.400 . 1 . . . . 75 MET N . 16680 1 1004 . 1 1 76 76 LYS H H 1 7.661 0.020 . 1 . . . . 76 LYS H . 16680 1 1005 . 1 1 76 76 LYS HA H 1 4.092 0.020 . 1 . . . . 76 LYS HA . 16680 1 1006 . 1 1 76 76 LYS HB2 H 1 1.732 0.020 . 2 . . . . 76 LYS HB2 . 16680 1 1007 . 1 1 76 76 LYS HB3 H 1 1.760 0.020 . 2 . . . . 76 LYS HB3 . 16680 1 1008 . 1 1 76 76 LYS HD2 H 1 1.610 0.020 . 2 . . . . 76 LYS HD2 . 16680 1 1009 . 1 1 76 76 LYS HD3 H 1 1.610 0.020 . 2 . . . . 76 LYS HD3 . 16680 1 1010 . 1 1 76 76 LYS HE2 H 1 2.802 0.020 . 2 . . . . 76 LYS HE2 . 16680 1 1011 . 1 1 76 76 LYS HE3 H 1 2.816 0.020 . 2 . . . . 76 LYS HE3 . 16680 1 1012 . 1 1 76 76 LYS HG2 H 1 1.451 0.020 . 2 . . . . 76 LYS HG2 . 16680 1 1013 . 1 1 76 76 LYS HG3 H 1 1.370 0.020 . 2 . . . . 76 LYS HG3 . 16680 1 1014 . 1 1 76 76 LYS C C 13 177.477 0.400 . 1 . . . . 76 LYS C . 16680 1 1015 . 1 1 76 76 LYS CA C 13 58.000 0.400 . 1 . . . . 76 LYS CA . 16680 1 1016 . 1 1 76 76 LYS CB C 13 32.600 0.400 . 1 . . . . 76 LYS CB . 16680 1 1017 . 1 1 76 76 LYS CD C 13 28.780 0.400 . 1 . . . . 76 LYS CD . 16680 1 1018 . 1 1 76 76 LYS CE C 13 41.780 0.400 . 1 . . . . 76 LYS CE . 16680 1 1019 . 1 1 76 76 LYS CG C 13 24.910 0.400 . 1 . . . . 76 LYS CG . 16680 1 1020 . 1 1 76 76 LYS N N 15 119.205 0.400 . 1 . . . . 76 LYS N . 16680 1 1021 . 1 1 77 77 SER H H 1 7.807 0.020 . 1 . . . . 77 SER H . 16680 1 1022 . 1 1 77 77 SER HA H 1 4.322 0.020 . 1 . . . . 77 SER HA . 16680 1 1023 . 1 1 77 77 SER HB2 H 1 3.942 0.020 . 2 . . . . 77 SER HB2 . 16680 1 1024 . 1 1 77 77 SER HB3 H 1 3.942 0.020 . 2 . . . . 77 SER HB3 . 16680 1 1025 . 1 1 77 77 SER C C 13 174.939 0.400 . 1 . . . . 77 SER C . 16680 1 1026 . 1 1 77 77 SER CA C 13 59.200 0.400 . 1 . . . . 77 SER CA . 16680 1 1027 . 1 1 77 77 SER CB C 13 63.800 0.400 . 1 . . . . 77 SER CB . 16680 1 1028 . 1 1 77 77 SER N N 15 114.073 0.400 . 1 . . . . 77 SER N . 16680 1 1029 . 1 1 78 78 LYS H H 1 7.947 0.020 . 1 . . . . 78 LYS H . 16680 1 1030 . 1 1 78 78 LYS HA H 1 4.226 0.020 . 1 . . . . 78 LYS HA . 16680 1 1031 . 1 1 78 78 LYS HB2 H 1 1.789 0.020 . 2 . . . . 78 LYS HB2 . 16680 1 1032 . 1 1 78 78 LYS HB3 H 1 1.780 0.020 . 2 . . . . 78 LYS HB3 . 16680 1 1033 . 1 1 78 78 LYS HD2 H 1 1.610 0.020 . 2 . . . . 78 LYS HD2 . 16680 1 1034 . 1 1 78 78 LYS HD3 H 1 1.610 0.020 . 2 . . . . 78 LYS HD3 . 16680 1 1035 . 1 1 78 78 LYS HE2 H 1 2.930 0.020 . 2 . . . . 78 LYS HE2 . 16680 1 1036 . 1 1 78 78 LYS HE3 H 1 2.930 0.020 . 2 . . . . 78 LYS HE3 . 16680 1 1037 . 1 1 78 78 LYS HG2 H 1 1.428 0.020 . 2 . . . . 78 LYS HG2 . 16680 1 1038 . 1 1 78 78 LYS HG3 H 1 1.428 0.020 . 2 . . . . 78 LYS HG3 . 16680 1 1039 . 1 1 78 78 LYS C C 13 176.988 0.400 . 1 . . . . 78 LYS C . 16680 1 1040 . 1 1 78 78 LYS CA C 13 56.865 0.400 . 1 . . . . 78 LYS CA . 16680 1 1041 . 1 1 78 78 LYS CB C 13 32.600 0.400 . 1 . . . . 78 LYS CB . 16680 1 1042 . 1 1 78 78 LYS CD C 13 28.780 0.400 . 1 . . . . 78 LYS CD . 16680 1 1043 . 1 1 78 78 LYS CE C 13 41.780 0.400 . 1 . . . . 78 LYS CE . 16680 1 1044 . 1 1 78 78 LYS CG C 13 24.910 0.400 . 1 . . . . 78 LYS CG . 16680 1 1045 . 1 1 78 78 LYS N N 15 122.355 0.400 . 1 . . . . 78 LYS N . 16680 1 1046 . 1 1 79 79 ARG H H 1 8.010 0.020 . 1 . . . . 79 ARG H . 16680 1 1047 . 1 1 79 79 ARG HA H 1 4.208 0.020 . 1 . . . . 79 ARG HA . 16680 1 1048 . 1 1 79 79 ARG HB2 H 1 1.682 0.020 . 2 . . . . 79 ARG HB2 . 16680 1 1049 . 1 1 79 79 ARG HB3 H 1 1.682 0.020 . 2 . . . . 79 ARG HB3 . 16680 1 1050 . 1 1 79 79 ARG HD2 H 1 3.152 0.020 . 2 . . . . 79 ARG HD2 . 16680 1 1051 . 1 1 79 79 ARG HD3 H 1 3.169 0.020 . 2 . . . . 79 ARG HD3 . 16680 1 1052 . 1 1 79 79 ARG HG2 H 1 1.580 0.020 . 2 . . . . 79 ARG HG2 . 16680 1 1053 . 1 1 79 79 ARG HG3 H 1 1.580 0.020 . 2 . . . . 79 ARG HG3 . 16680 1 1054 . 1 1 79 79 ARG C C 13 176.271 0.400 . 1 . . . . 79 ARG C . 16680 1 1055 . 1 1 79 79 ARG CA C 13 56.814 0.400 . 1 . . . . 79 ARG CA . 16680 1 1056 . 1 1 79 79 ARG CB C 13 30.608 0.400 . 1 . . . . 79 ARG CB . 16680 1 1057 . 1 1 79 79 ARG CD C 13 43.547 0.400 . 1 . . . . 79 ARG CD . 16680 1 1058 . 1 1 79 79 ARG CG C 13 27.487 0.400 . 1 . . . . 79 ARG CG . 16680 1 1059 . 1 1 79 79 ARG N N 15 120.224 0.400 . 1 . . . . 79 ARG N . 16680 1 1060 . 1 1 80 80 TRP H H 1 7.934 0.020 . 1 . . . . 80 TRP H . 16680 1 1061 . 1 1 80 80 TRP HA H 1 4.696 0.020 . 1 . . . . 80 TRP HA . 16680 1 1062 . 1 1 80 80 TRP HB2 H 1 3.316 0.020 . 2 . . . . 80 TRP HB2 . 16680 1 1063 . 1 1 80 80 TRP HB3 H 1 3.305 0.020 . 2 . . . . 80 TRP HB3 . 16680 1 1064 . 1 1 80 80 TRP HD1 H 1 7.268 0.020 . 1 . . . . 80 TRP HD1 . 16680 1 1065 . 1 1 80 80 TRP HE1 H 1 10.124 0.020 . 1 . . . . 80 TRP HE1 . 16680 1 1066 . 1 1 80 80 TRP HE3 H 1 6.386 0.020 . 1 . . . . 80 TRP HE3 . 16680 1 1067 . 1 1 80 80 TRP HH2 H 1 6.821 0.020 . 1 . . . . 80 TRP HH2 . 16680 1 1068 . 1 1 80 80 TRP HZ2 H 1 7.477 0.020 . 1 . . . . 80 TRP HZ2 . 16680 1 1069 . 1 1 80 80 TRP HZ3 H 1 7.228 0.020 . 1 . . . . 80 TRP HZ3 . 16680 1 1070 . 1 1 80 80 TRP C C 13 176.066 0.400 . 1 . . . . 80 TRP C . 16680 1 1071 . 1 1 80 80 TRP CA C 13 56.976 0.400 . 1 . . . . 80 TRP CA . 16680 1 1072 . 1 1 80 80 TRP CB C 13 29.561 0.400 . 1 . . . . 80 TRP CB . 16680 1 1073 . 1 1 80 80 TRP CD1 C 13 127.185 0.400 . 1 . . . . 80 TRP CD1 . 16680 1 1074 . 1 1 80 80 TRP CE3 C 13 123.308 0.400 . 1 . . . . 80 TRP CE3 . 16680 1 1075 . 1 1 80 80 TRP CH2 C 13 123.750 0.400 . 1 . . . . 80 TRP CH2 . 16680 1 1076 . 1 1 80 80 TRP CZ2 C 13 114.436 0.400 . 1 . . . . 80 TRP CZ2 . 16680 1 1077 . 1 1 80 80 TRP CZ3 C 13 121.570 0.400 . 1 . . . . 80 TRP CZ3 . 16680 1 1078 . 1 1 80 80 TRP N N 15 120.571 0.400 . 1 . . . . 80 TRP N . 16680 1 1079 . 1 1 81 81 GLN H H 1 7.952 0.020 . 1 . . . . 81 GLN H . 16680 1 1080 . 1 1 81 81 GLN HA H 1 4.230 0.020 . 1 . . . . 81 GLN HA . 16680 1 1081 . 1 1 81 81 GLN HB2 H 1 1.871 0.020 . 2 . . . . 81 GLN HB2 . 16680 1 1082 . 1 1 81 81 GLN HB3 H 1 2.015 0.020 . 2 . . . . 81 GLN HB3 . 16680 1 1083 . 1 1 81 81 GLN HE21 H 1 7.170 0.020 . 2 . . . . 81 GLN HE21 . 16680 1 1084 . 1 1 81 81 GLN HE22 H 1 7.070 0.020 . 2 . . . . 81 GLN HE22 . 16680 1 1085 . 1 1 81 81 GLN HG2 H 1 2.222 0.020 . 2 . . . . 81 GLN HG2 . 16680 1 1086 . 1 1 81 81 GLN HG3 H 1 2.228 0.020 . 2 . . . . 81 GLN HG3 . 16680 1 1087 . 1 1 81 81 GLN C C 13 175.345 0.400 . 1 . . . . 81 GLN C . 16680 1 1088 . 1 1 81 81 GLN CA C 13 55.800 0.400 . 1 . . . . 81 GLN CA . 16680 1 1089 . 1 1 81 81 GLN CB C 13 29.600 0.400 . 1 . . . . 81 GLN CB . 16680 1 1090 . 1 1 81 81 GLN CG C 13 33.720 0.400 . 1 . . . . 81 GLN CG . 16680 1 1091 . 1 1 81 81 GLN N N 15 121.455 0.400 . 1 . . . . 81 GLN N . 16680 1 1092 . 1 1 82 82 LYS H H 1 8.156 0.020 . 1 . . . . 82 LYS H . 16680 1 1093 . 1 1 82 82 LYS HA H 1 4.232 0.020 . 1 . . . . 82 LYS HA . 16680 1 1094 . 1 1 82 82 LYS HB2 H 1 1.789 0.020 . 2 . . . . 82 LYS HB2 . 16680 1 1095 . 1 1 82 82 LYS HB3 H 1 1.780 0.020 . 2 . . . . 82 LYS HB3 . 16680 1 1096 . 1 1 82 82 LYS HD2 H 1 1.656 0.020 . 2 . . . . 82 LYS HD2 . 16680 1 1097 . 1 1 82 82 LYS HD3 H 1 1.642 0.020 . 2 . . . . 82 LYS HD3 . 16680 1 1098 . 1 1 82 82 LYS HE2 H 1 3.058 0.020 . 2 . . . . 82 LYS HE2 . 16680 1 1099 . 1 1 82 82 LYS HE3 H 1 2.982 0.020 . 2 . . . . 82 LYS HE3 . 16680 1 1100 . 1 1 82 82 LYS HG2 H 1 1.413 0.020 . 2 . . . . 82 LYS HG2 . 16680 1 1101 . 1 1 82 82 LYS HG3 H 1 1.406 0.020 . 2 . . . . 82 LYS HG3 . 16680 1 1102 . 1 1 82 82 LYS C C 13 176.085 0.400 . 1 . . . . 82 LYS C . 16680 1 1103 . 1 1 82 82 LYS CA C 13 56.400 0.400 . 1 . . . . 82 LYS CA . 16680 1 1104 . 1 1 82 82 LYS CB C 13 33.100 0.400 . 1 . . . . 82 LYS CB . 16680 1 1105 . 1 1 82 82 LYS CD C 13 29.492 0.400 . 1 . . . . 82 LYS CD . 16680 1 1106 . 1 1 82 82 LYS CE C 13 41.780 0.400 . 1 . . . . 82 LYS CE . 16680 1 1107 . 1 1 82 82 LYS CG C 13 24.910 0.400 . 1 . . . . 82 LYS CG . 16680 1 1108 . 1 1 82 82 LYS N N 15 121.995 0.400 . 1 . . . . 82 LYS N . 16680 1 1109 . 1 1 83 83 ASN H H 1 8.458 0.020 . 1 . . . . 83 ASN H . 16680 1 1110 . 1 1 83 83 ASN HA H 1 4.748 0.020 . 1 . . . . 83 ASN HA . 16680 1 1111 . 1 1 83 83 ASN HB2 H 1 2.840 0.020 . 2 . . . . 83 ASN HB2 . 16680 1 1112 . 1 1 83 83 ASN HB3 H 1 2.743 0.020 . 2 . . . . 83 ASN HB3 . 16680 1 1113 . 1 1 83 83 ASN HD21 H 1 7.481 0.020 . 2 . . . . 83 ASN HD21 . 16680 1 1114 . 1 1 83 83 ASN HD22 H 1 7.015 0.020 . 2 . . . . 83 ASN HD22 . 16680 1 1115 . 1 1 83 83 ASN C C 13 173.958 0.400 . 1 . . . . 83 ASN C . 16680 1 1116 . 1 1 83 83 ASN CA C 13 53.349 0.400 . 1 . . . . 83 ASN CA . 16680 1 1117 . 1 1 83 83 ASN CB C 13 39.180 0.400 . 1 . . . . 83 ASN CB . 16680 1 1118 . 1 1 83 83 ASN N N 15 120.105 0.400 . 1 . . . . 83 ASN N . 16680 1 1119 . 1 1 84 84 ASN H H 1 7.973 0.020 . 1 . . . . 84 ASN H . 16680 1 1120 . 1 1 84 84 ASN HA H 1 4.737 0.020 . 1 . . . . 84 ASN HA . 16680 1 1121 . 1 1 84 84 ASN HB2 H 1 2.764 0.020 . 2 . . . . 84 ASN HB2 . 16680 1 1122 . 1 1 84 84 ASN HB3 H 1 2.857 0.020 . 2 . . . . 84 ASN HB3 . 16680 1 1123 . 1 1 84 84 ASN HD21 H 1 7.270 0.020 . 2 . . . . 84 ASN HD21 . 16680 1 1124 . 1 1 84 84 ASN HD22 H 1 7.200 0.020 . 2 . . . . 84 ASN HD22 . 16680 1 1125 . 1 1 84 84 ASN C C 13 179.375 0.400 . 1 . . . . 84 ASN C . 16680 1 1126 . 1 1 84 84 ASN CA C 13 53.430 0.400 . 1 . . . . 84 ASN CA . 16680 1 1127 . 1 1 84 84 ASN CB C 13 38.996 0.400 . 1 . . . . 84 ASN CB . 16680 1 1128 . 1 1 84 84 ASN N N 15 124.246 0.400 . 1 . . . . 84 ASN N . 16680 1 stop_ save_