data_34419 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34419 _Entry.Title ; NMR solution structure of Hml-2 C-terminal dimer domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-07-16 _Entry.Accession_date 2019-07-16 _Entry.Last_release_date 2020-01-07 _Entry.Original_release_date 2020-01-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34419 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 G. Nicastro G. . . . 34419 2 I. Taylor I. A. . . 34419 3 N. Ball N. J. . . 34419 4 A. Ramos A. . . . 34419 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Human-endogenous-retroviruses . 34419 Ortervirales. . 34419 Retroviridae . 34419 'VIRAL PROTEIN' . 34419 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34419 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 291 34419 '1H chemical shifts' 621 34419 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 . . 2020-01-13 . original BMRB . 34419 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6SAI . 34419 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34419 _Citation.ID 1 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15044706 _Citation.Full_citation . _Citation.Title ; Long-term reinfection of the human genome by endogenous retroviruses. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 101 _Citation.Journal_issue 14 _Citation.Journal_ASTM PNASA6 _Citation.Journal_ISSN 0027-8424 _Citation.Journal_CSD 0040 _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 4894-9 _Citation.Page_last . _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 R. Belshaw R. . . . 34419 1 2 V. Pereira V. . . . 34419 1 3 A. Katzourakis A. . . . 34419 1 4 G. Talbot G. . . . 34419 1 5 J. Paces J. . . . 34419 1 6 A. Burt A. . . . 34419 1 7 M. Tristem M. . . . 34419 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 34419 _Citation.ID 2 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41467-019-13786-y _Citation.PubMed_ID 31862888 _Citation.Full_citation . _Citation.Title ; Structural basis for Fullerene geometry in a human endogenous retrovirus capsid. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 5822 _Citation.Page_last 5822 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 O. Acton O. . . . 34419 2 2 T. Grant T. . . . 34419 2 3 G. Nicastro G. . . . 34419 2 4 N. Ball N. J. . . 34419 2 5 D. Goldstone D. C. . . 34419 2 6 L. Robertson L. E. . . 34419 2 7 K. Sader K. . . . 34419 2 8 A. Nans A. . . . 34419 2 9 A. Ramos A. . . . 34419 2 10 J. Stoye J. P. . . 34419 2 11 I. Taylor I. A. . . 34419 2 12 P. Rosenthal P. B. . . 34419 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34419 _Assembly.ID 1 _Assembly.Name 'Gag protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34419 1 2 entity_2 1 $entity_1 B B yes . . . . . . 34419 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34419 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PSFNTVRQGSKEPYPDFVAR LQDVAQKSIADEKARKVIVE LMAYENANPECQSAIKPLKG KVPAGSDVISEYVKACDGIG GAMHKAMLMAQLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10093.613 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . PRO . 34419 1 2 . SER . 34419 1 3 . PHE . 34419 1 4 . ASN . 34419 1 5 . THR . 34419 1 6 . VAL . 34419 1 7 . ARG . 34419 1 8 . GLN . 34419 1 9 . GLY . 34419 1 10 . SER . 34419 1 11 . LYS . 34419 1 12 . GLU . 34419 1 13 . PRO . 34419 1 14 . TYR . 34419 1 15 . PRO . 34419 1 16 . ASP . 34419 1 17 . PHE . 34419 1 18 . VAL . 34419 1 19 . ALA . 34419 1 20 . ARG . 34419 1 21 . LEU . 34419 1 22 . GLN . 34419 1 23 . ASP . 34419 1 24 . VAL . 34419 1 25 . ALA . 34419 1 26 . GLN . 34419 1 27 . LYS . 34419 1 28 . SER . 34419 1 29 . ILE . 34419 1 30 . ALA . 34419 1 31 . ASP . 34419 1 32 . GLU . 34419 1 33 . LYS . 34419 1 34 . ALA . 34419 1 35 . ARG . 34419 1 36 . LYS . 34419 1 37 . VAL . 34419 1 38 . ILE . 34419 1 39 . VAL . 34419 1 40 . GLU . 34419 1 41 . LEU . 34419 1 42 . MET . 34419 1 43 . ALA . 34419 1 44 . TYR . 34419 1 45 . GLU . 34419 1 46 . ASN . 34419 1 47 . ALA . 34419 1 48 . ASN . 34419 1 49 . PRO . 34419 1 50 . GLU . 34419 1 51 . CYS . 34419 1 52 . GLN . 34419 1 53 . SER . 34419 1 54 . ALA . 34419 1 55 . ILE . 34419 1 56 . LYS . 34419 1 57 . PRO . 34419 1 58 . LEU . 34419 1 59 . LYS . 34419 1 60 . GLY . 34419 1 61 . LYS . 34419 1 62 . VAL . 34419 1 63 . PRO . 34419 1 64 . ALA . 34419 1 65 . GLY . 34419 1 66 . SER . 34419 1 67 . ASP . 34419 1 68 . VAL . 34419 1 69 . ILE . 34419 1 70 . SER . 34419 1 71 . GLU . 34419 1 72 . TYR . 34419 1 73 . VAL . 34419 1 74 . LYS . 34419 1 75 . ALA . 34419 1 76 . CYS . 34419 1 77 . ASP . 34419 1 78 . GLY . 34419 1 79 . ILE . 34419 1 80 . GLY . 34419 1 81 . GLY . 34419 1 82 . ALA . 34419 1 83 . MET . 34419 1 84 . HIS . 34419 1 85 . LYS . 34419 1 86 . ALA . 34419 1 87 . MET . 34419 1 88 . LEU . 34419 1 89 . MET . 34419 1 90 . ALA . 34419 1 91 . GLN . 34419 1 92 . LEU . 34419 1 93 . GLU . 34419 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 . PRO 1 1 34419 1 . SER 2 2 34419 1 . PHE 3 3 34419 1 . ASN 4 4 34419 1 . THR 5 5 34419 1 . VAL 6 6 34419 1 . ARG 7 7 34419 1 . GLN 8 8 34419 1 . GLY 9 9 34419 1 . SER 10 10 34419 1 . LYS 11 11 34419 1 . GLU 12 12 34419 1 . PRO 13 13 34419 1 . TYR 14 14 34419 1 . PRO 15 15 34419 1 . ASP 16 16 34419 1 . PHE 17 17 34419 1 . VAL 18 18 34419 1 . ALA 19 19 34419 1 . ARG 20 20 34419 1 . LEU 21 21 34419 1 . GLN 22 22 34419 1 . ASP 23 23 34419 1 . VAL 24 24 34419 1 . ALA 25 25 34419 1 . GLN 26 26 34419 1 . LYS 27 27 34419 1 . SER 28 28 34419 1 . ILE 29 29 34419 1 . ALA 30 30 34419 1 . ASP 31 31 34419 1 . GLU 32 32 34419 1 . LYS 33 33 34419 1 . ALA 34 34 34419 1 . ARG 35 35 34419 1 . LYS 36 36 34419 1 . VAL 37 37 34419 1 . ILE 38 38 34419 1 . VAL 39 39 34419 1 . GLU 40 40 34419 1 . LEU 41 41 34419 1 . MET 42 42 34419 1 . ALA 43 43 34419 1 . TYR 44 44 34419 1 . GLU 45 45 34419 1 . ASN 46 46 34419 1 . ALA 47 47 34419 1 . ASN 48 48 34419 1 . PRO 49 49 34419 1 . GLU 50 50 34419 1 . CYS 51 51 34419 1 . GLN 52 52 34419 1 . SER 53 53 34419 1 . ALA 54 54 34419 1 . ILE 55 55 34419 1 . LYS 56 56 34419 1 . PRO 57 57 34419 1 . LEU 58 58 34419 1 . LYS 59 59 34419 1 . GLY 60 60 34419 1 . LYS 61 61 34419 1 . VAL 62 62 34419 1 . PRO 63 63 34419 1 . ALA 64 64 34419 1 . GLY 65 65 34419 1 . SER 66 66 34419 1 . ASP 67 67 34419 1 . VAL 68 68 34419 1 . ILE 69 69 34419 1 . SER 70 70 34419 1 . GLU 71 71 34419 1 . TYR 72 72 34419 1 . VAL 73 73 34419 1 . LYS 74 74 34419 1 . ALA 75 75 34419 1 . CYS 76 76 34419 1 . ASP 77 77 34419 1 . GLY 78 78 34419 1 . ILE 79 79 34419 1 . GLY 80 80 34419 1 . GLY 81 81 34419 1 . ALA 82 82 34419 1 . MET 83 83 34419 1 . HIS 84 84 34419 1 . LYS 85 85 34419 1 . ALA 86 86 34419 1 . MET 87 87 34419 1 . LEU 88 88 34419 1 . MET 89 89 34419 1 . ALA 90 90 34419 1 . GLN 91 91 34419 1 . LEU 92 92 34419 1 . GLU 93 93 34419 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 34419 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 45617 organism . 'Human endogenous retrovirus K' HERV-K . . Viruses . 'Human endogenous retrovirus' HERV-K . . . . . . . . . . . gag . 34419 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 34419 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34419 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34419 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '2.3 mM [U-13C; U-15N] Hml-2 Ctd, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'Hml-2 Ctd' '[U-13C; U-15N]' . . 1 $entity_1 . . 2.3 . . mM 0.2 . . . 34419 1 2 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 34419 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 34419 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 34419 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 0.2 mM 34419 1 pH 7.0 0.1 pH 34419 1 pressure 1 0.01 mmHg 34419 1 temperature 298 0.2 K 34419 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34419 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34419 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34419 1 . 'structure calculation' 34419 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34419 _Software.ID 2 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 34419 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34419 2 . 'peak picking' 34419 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34419 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34419 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34419 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 800 . . . 34419 1 2 NMR_spectrometer_2 Bruker AVANCE . 700 . . . 34419 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 34419 _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 HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34419 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34419 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34419 1 4 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34419 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34419 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34419 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34419 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 34419 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34419 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 HNCA' . . . 34419 1 2 '3D CBCA(CO)NH' . . . 34419 1 3 '3D HNCO' . . . 34419 1 4 '3D 1H-13C NOESY aliphatic' . . . 34419 1 5 '3D 1H-15N NOESY' . . . 34419 1 6 '3D 1H-13C NOESY aromatic' . . . 34419 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO HB2 H 1 2.260 0.002 . . . . . . A 1 PRO HB2 . 34419 1 2 . 1 1 1 1 PRO HB3 H 1 1.765 0.000 . . . . . . A 1 PRO HB3 . 34419 1 3 . 1 1 1 1 PRO HG2 H 1 1.914 0.005 . . . . . . A 1 PRO HG2 . 34419 1 4 . 1 1 1 1 PRO HG3 H 1 1.778 0.004 . . . . . . A 1 PRO HG3 . 34419 1 5 . 1 1 1 1 PRO HD2 H 1 3.241 0.001 . . . . . . A 1 PRO HD2 . 34419 1 6 . 1 1 1 1 PRO HD3 H 1 3.241 0.001 . . . . . . A 1 PRO HD3 . 34419 1 7 . 1 1 1 1 PRO CB C 13 32.292 0.000 . . . . . . A 1 PRO CB . 34419 1 8 . 1 1 1 1 PRO CG C 13 26.426 0.000 . . . . . . A 1 PRO CG . 34419 1 9 . 1 1 1 1 PRO CD C 13 49.301 0.000 . . . . . . A 1 PRO CD . 34419 1 10 . 1 1 2 2 SER HA H 1 4.498 0.002 . . . . . . A 2 SER HA . 34419 1 11 . 1 1 2 2 SER HB2 H 1 3.821 0.001 . . . . . . A 2 SER HB2 . 34419 1 12 . 1 1 2 2 SER HB3 H 1 3.745 0.002 . . . . . . A 2 SER HB3 . 34419 1 13 . 1 1 2 2 SER CA C 13 57.512 0.000 . . . . . . A 2 SER CA . 34419 1 14 . 1 1 2 2 SER CB C 13 63.964 0.000 . . . . . . A 2 SER CB . 34419 1 15 . 1 1 3 3 PHE HA H 1 4.211 0.003 . . . . . . A 3 PHE HA . 34419 1 16 . 1 1 3 3 PHE HB2 H 1 2.965 0.002 . . . . . . A 3 PHE HB2 . 34419 1 17 . 1 1 3 3 PHE HB3 H 1 2.965 0.002 . . . . . . A 3 PHE HB3 . 34419 1 18 . 1 1 3 3 PHE HD1 H 1 7.157 0.002 . . . . . . A 3 PHE HD1 . 34419 1 19 . 1 1 3 3 PHE HD2 H 1 7.157 0.002 . . . . . . A 3 PHE HD2 . 34419 1 20 . 1 1 3 3 PHE HE1 H 1 6.988 0.002 . . . . . . A 3 PHE HE1 . 34419 1 21 . 1 1 3 3 PHE HE2 H 1 6.988 0.002 . . . . . . A 3 PHE HE2 . 34419 1 22 . 1 1 3 3 PHE CA C 13 59.859 0.000 . . . . . . A 3 PHE CA . 34419 1 23 . 1 1 3 3 PHE CB C 13 38.743 0.000 . . . . . . A 3 PHE CB . 34419 1 24 . 1 1 3 3 PHE CD1 C 13 132.0 0.000 . . . . . . A 3 PHE CD1 . 34419 1 25 . 1 1 3 3 PHE CE1 C 13 130.1 0.000 . . . . . . A 3 PHE CE1 . 34419 1 26 . 1 1 4 4 ASN HA H 1 4.476 0.002 . . . . . . A 4 ASN HA . 34419 1 27 . 1 1 4 4 ASN HB2 H 1 2.698 0.003 . . . . . . A 4 ASN HB2 . 34419 1 28 . 1 1 4 4 ASN HB3 H 1 2.611 0.003 . . . . . . A 4 ASN HB3 . 34419 1 29 . 1 1 4 4 ASN HD21 H 1 7.526 0.000 . . . . . . A 4 ASN HD21 . 34419 1 30 . 1 1 4 4 ASN HD22 H 1 6.843 0.000 . . . . . . A 4 ASN HD22 . 34419 1 31 . 1 1 4 4 ASN CA C 13 54.580 0.000 . . . . . . A 4 ASN CA . 34419 1 32 . 1 1 4 4 ASN CB C 13 38.157 0.000 . . . . . . A 4 ASN CB . 34419 1 33 . 1 1 5 5 THR H H 1 7.467 0.001 . . . . . . A 5 THR H . 34419 1 34 . 1 1 5 5 THR HA H 1 4.241 0.002 . . . . . . A 5 THR HA . 34419 1 35 . 1 1 5 5 THR HB H 1 4.349 0.002 . . . . . . A 5 THR HB . 34419 1 36 . 1 1 5 5 THR HG21 H 1 1.103 0.004 . . . . . . A 5 THR HG21 . 34419 1 37 . 1 1 5 5 THR HG22 H 1 1.103 0.004 . . . . . . A 5 THR HG22 . 34419 1 38 . 1 1 5 5 THR HG23 H 1 1.103 0.004 . . . . . . A 5 THR HG23 . 34419 1 39 . 1 1 5 5 THR CA C 13 61.618 0.000 . . . . . . A 5 THR CA . 34419 1 40 . 1 1 5 5 THR CB C 13 69.243 0.000 . . . . . . A 5 THR CB . 34419 1 41 . 1 1 5 5 THR CG2 C 13 21.734 0.000 . . . . . . A 5 THR CG2 . 34419 1 42 . 1 1 6 6 VAL H H 1 7.456 0.000 . . . . . . A 6 VAL H . 34419 1 43 . 1 1 6 6 VAL HA H 1 4.023 0.002 . . . . . . A 6 VAL HA . 34419 1 44 . 1 1 6 6 VAL HB H 1 2.135 0.002 . . . . . . A 6 VAL HB . 34419 1 45 . 1 1 6 6 VAL HG11 H 1 0.857 0.001 . . . . . . A 6 VAL HG11 . 34419 1 46 . 1 1 6 6 VAL HG12 H 1 0.857 0.001 . . . . . . A 6 VAL HG12 . 34419 1 47 . 1 1 6 6 VAL HG13 H 1 0.857 0.001 . . . . . . A 6 VAL HG13 . 34419 1 48 . 1 1 6 6 VAL HG21 H 1 0.817 0.002 . . . . . . A 6 VAL HG21 . 34419 1 49 . 1 1 6 6 VAL HG22 H 1 0.817 0.002 . . . . . . A 6 VAL HG22 . 34419 1 50 . 1 1 6 6 VAL HG23 H 1 0.817 0.002 . . . . . . A 6 VAL HG23 . 34419 1 51 . 1 1 6 6 VAL CA C 13 62.205 0.000 . . . . . . A 6 VAL CA . 34419 1 52 . 1 1 6 6 VAL CB C 13 31.118 0.000 . . . . . . A 6 VAL CB . 34419 1 53 . 1 1 6 6 VAL CG1 C 13 21.147 0.000 . . . . . . A 6 VAL CG1 . 34419 1 54 . 1 1 6 6 VAL CG2 C 13 21.147 0.000 . . . . . . A 6 VAL CG2 . 34419 1 55 . 1 1 7 7 ARG H H 1 8.249 0.003 . . . . . . A 7 ARG H . 34419 1 56 . 1 1 7 7 ARG HA H 1 4.710 0.003 . . . . . . A 7 ARG HA . 34419 1 57 . 1 1 7 7 ARG HB2 H 1 1.681 0.002 . . . . . . A 7 ARG HB2 . 34419 1 58 . 1 1 7 7 ARG HB3 H 1 1.518 0.002 . . . . . . A 7 ARG HB3 . 34419 1 59 . 1 1 7 7 ARG HG2 H 1 1.417 0.003 . . . . . . A 7 ARG HG2 . 34419 1 60 . 1 1 7 7 ARG HG3 H 1 1.332 0.003 . . . . . . A 7 ARG HG3 . 34419 1 61 . 1 1 7 7 ARG HD2 H 1 3.086 0.001 . . . . . . A 7 ARG HD2 . 34419 1 62 . 1 1 7 7 ARG HD3 H 1 3.044 0.002 . . . . . . A 7 ARG HD3 . 34419 1 63 . 1 1 7 7 ARG CA C 13 53.993 0.000 . . . . . . A 7 ARG CA . 34419 1 64 . 1 1 7 7 ARG CB C 13 32.878 0.000 . . . . . . A 7 ARG CB . 34419 1 65 . 1 1 7 7 ARG CG C 13 27.013 0.000 . . . . . . A 7 ARG CG . 34419 1 66 . 1 1 7 7 ARG CD C 13 42.849 0.000 . . . . . . A 7 ARG CD . 34419 1 67 . 1 1 8 8 GLN H H 1 7.469 0.005 . . . . . . A 8 GLN H . 34419 1 68 . 1 1 8 8 GLN HA H 1 3.745 0.002 . . . . . . A 8 GLN HA . 34419 1 69 . 1 1 8 8 GLN HB2 H 1 1.532 0.004 . . . . . . A 8 GLN HB2 . 34419 1 70 . 1 1 8 8 GLN HB3 H 1 -0.182 0.004 . . . . . . A 8 GLN HB3 . 34419 1 71 . 1 1 8 8 GLN HG2 H 1 3.211 0.001 . . . . . . A 8 GLN HG2 . 34419 1 72 . 1 1 8 8 GLN HG3 H 1 1.974 0.001 . . . . . . A 8 GLN HG3 . 34419 1 73 . 1 1 8 8 GLN HE21 H 1 7.650 0.000 . . . . . . A 8 GLN HE21 . 34419 1 74 . 1 1 8 8 GLN HE22 H 1 6.891 0.000 . . . . . . A 8 GLN HE22 . 34419 1 75 . 1 1 8 8 GLN CA C 13 55.753 0.000 . . . . . . A 8 GLN CA . 34419 1 76 . 1 1 8 8 GLN CB C 13 27.013 0.000 . . . . . . A 8 GLN CB . 34419 1 77 . 1 1 8 8 GLN CG C 13 32.878 0.000 . . . . . . A 8 GLN CG . 34419 1 78 . 1 1 9 9 GLY H H 1 9.661 0.003 . . . . . . A 9 GLY H . 34419 1 79 . 1 1 9 9 GLY HA2 H 1 4.173 0.001 . . . . . . A 9 GLY HA2 . 34419 1 80 . 1 1 9 9 GLY HA3 H 1 3.919 0.004 . . . . . . A 9 GLY HA3 . 34419 1 81 . 1 1 9 9 GLY CA C 13 45.195 0.000 . . . . . . A 9 GLY CA . 34419 1 82 . 1 1 11 11 LYS HA H 1 4.500 0.003 . . . . . . A 11 LYS HA . 34419 1 83 . 1 1 11 11 LYS HB2 H 1 2.005 0.002 . . . . . . A 11 LYS HB2 . 34419 1 84 . 1 1 11 11 LYS HB3 H 1 1.658 0.215 . . . . . . A 11 LYS HB3 . 34419 1 85 . 1 1 11 11 LYS HG2 H 1 1.321 0.003 . . . . . . A 11 LYS HG2 . 34419 1 86 . 1 1 11 11 LYS HG3 H 1 1.255 0.002 . . . . . . A 11 LYS HG3 . 34419 1 87 . 1 1 11 11 LYS HD2 H 1 1.546 0.007 . . . . . . A 11 LYS HD2 . 34419 1 88 . 1 1 11 11 LYS HD3 H 1 1.546 0.007 . . . . . . A 11 LYS HD3 . 34419 1 89 . 1 1 11 11 LYS CA C 13 53.993 0.000 . . . . . . A 11 LYS CA . 34419 1 90 . 1 1 11 11 LYS CB C 13 32.292 0.000 . . . . . . A 11 LYS CB . 34419 1 91 . 1 1 11 11 LYS CG C 13 24.667 0.000 . . . . . . A 11 LYS CG . 34419 1 92 . 1 1 11 11 LYS CD C 13 28.772 0.000 . . . . . . A 11 LYS CD . 34419 1 93 . 1 1 12 12 GLU H H 1 6.813 0.001 . . . . . . A 12 GLU H . 34419 1 94 . 1 1 12 12 GLU HA H 1 4.544 0.002 . . . . . . A 12 GLU HA . 34419 1 95 . 1 1 12 12 GLU HB2 H 1 2.142 0.004 . . . . . . A 12 GLU HB2 . 34419 1 96 . 1 1 12 12 GLU HB3 H 1 1.777 0.003 . . . . . . A 12 GLU HB3 . 34419 1 97 . 1 1 12 12 GLU HG2 H 1 2.491 0.000 . . . . . . A 12 GLU HG2 . 34419 1 98 . 1 1 12 12 GLU HG3 H 1 2.295 0.002 . . . . . . A 12 GLU HG3 . 34419 1 99 . 1 1 12 12 GLU CA C 13 53.407 0.000 . . . . . . A 12 GLU CA . 34419 1 100 . 1 1 12 12 GLU CB C 13 32.292 0.000 . . . . . . A 12 GLU CB . 34419 1 101 . 1 1 12 12 GLU CG C 13 34.638 0.000 . . . . . . A 12 GLU CG . 34419 1 102 . 1 1 13 13 PRO HA H 1 4.413 0.003 . . . . . . A 13 PRO HA . 34419 1 103 . 1 1 13 13 PRO HB2 H 1 2.467 0.003 . . . . . . A 13 PRO HB2 . 34419 1 104 . 1 1 13 13 PRO HB3 H 1 1.891 0.001 . . . . . . A 13 PRO HB3 . 34419 1 105 . 1 1 13 13 PRO HG2 H 1 2.163 0.002 . . . . . . A 13 PRO HG2 . 34419 1 106 . 1 1 13 13 PRO HG3 H 1 1.891 0.003 . . . . . . A 13 PRO HG3 . 34419 1 107 . 1 1 13 13 PRO HD2 H 1 4.249 0.001 . . . . . . A 13 PRO HD2 . 34419 1 108 . 1 1 13 13 PRO HD3 H 1 3.699 0.002 . . . . . . A 13 PRO HD3 . 34419 1 109 . 1 1 13 13 PRO CA C 13 63.378 0.000 . . . . . . A 13 PRO CA . 34419 1 110 . 1 1 13 13 PRO CB C 13 32.878 0.000 . . . . . . A 13 PRO CB . 34419 1 111 . 1 1 13 13 PRO CG C 13 28.186 0.000 . . . . . . A 13 PRO CG . 34419 1 112 . 1 1 13 13 PRO CD C 13 51.647 0.000 . . . . . . A 13 PRO CD . 34419 1 113 . 1 1 14 14 TYR H H 1 9.470 0.000 . . . . . . A 14 TYR H . 34419 1 114 . 1 1 14 14 TYR HA H 1 4.537 0.003 . . . . . . A 14 TYR HA . 34419 1 115 . 1 1 14 14 TYR HB2 H 1 3.486 0.002 . . . . . . A 14 TYR HB2 . 34419 1 116 . 1 1 14 14 TYR HB3 H 1 3.199 0.005 . . . . . . A 14 TYR HB3 . 34419 1 117 . 1 1 14 14 TYR HD1 H 1 7.153 0.004 . . . . . . A 14 TYR HD1 . 34419 1 118 . 1 1 14 14 TYR HD2 H 1 7.153 0.004 . . . . . . A 14 TYR HD2 . 34419 1 119 . 1 1 14 14 TYR HE1 H 1 6.716 0.001 . . . . . . A 14 TYR HE1 . 34419 1 120 . 1 1 14 14 TYR HE2 H 1 6.716 0.001 . . . . . . A 14 TYR HE2 . 34419 1 121 . 1 1 14 14 TYR CA C 13 64.551 0.000 . . . . . . A 14 TYR CA . 34419 1 122 . 1 1 14 14 TYR CB C 13 36.984 0.000 . . . . . . A 14 TYR CB . 34419 1 123 . 1 1 14 14 TYR CD1 C 13 133.8 0.000 . . . . . . A 14 TYR CD1 . 34419 1 124 . 1 1 14 14 TYR CE1 C 13 118.0 0.000 . . . . . . A 14 TYR CE1 . 34419 1 125 . 1 1 15 15 PRO HA H 1 4.030 0.003 . . . . . . A 15 PRO HA . 34419 1 126 . 1 1 15 15 PRO HB2 H 1 2.303 0.004 . . . . . . A 15 PRO HB2 . 34419 1 127 . 1 1 15 15 PRO HB3 H 1 1.867 0.002 . . . . . . A 15 PRO HB3 . 34419 1 128 . 1 1 15 15 PRO HG2 H 1 2.144 0.002 . . . . . . A 15 PRO HG2 . 34419 1 129 . 1 1 15 15 PRO HG3 H 1 2.069 0.001 . . . . . . A 15 PRO HG3 . 34419 1 130 . 1 1 15 15 PRO HD2 H 1 4.180 0.002 . . . . . . A 15 PRO HD2 . 34419 1 131 . 1 1 15 15 PRO HD3 H 1 3.612 0.002 . . . . . . A 15 PRO HD3 . 34419 1 132 . 1 1 15 15 PRO CA C 13 65.724 0.000 . . . . . . A 15 PRO CA . 34419 1 133 . 1 1 15 15 PRO CB C 13 30.532 0.000 . . . . . . A 15 PRO CB . 34419 1 134 . 1 1 15 15 PRO CG C 13 29.359 0.000 . . . . . . A 15 PRO CG . 34419 1 135 . 1 1 15 15 PRO CD C 13 50.474 0.000 . . . . . . A 15 PRO CD . 34419 1 136 . 1 1 16 16 ASP H H 1 6.998 0.000 . . . . . . A 16 ASP H . 34419 1 137 . 1 1 16 16 ASP HA H 1 4.309 0.002 . . . . . . A 16 ASP HA . 34419 1 138 . 1 1 16 16 ASP HB2 H 1 2.906 0.001 . . . . . . A 16 ASP HB2 . 34419 1 139 . 1 1 16 16 ASP HB3 H 1 2.771 0.001 . . . . . . A 16 ASP HB3 . 34419 1 140 . 1 1 16 16 ASP CA C 13 56.926 0.000 . . . . . . A 16 ASP CA . 34419 1 141 . 1 1 16 16 ASP CB C 13 39.330 0.000 . . . . . . A 16 ASP CB . 34419 1 142 . 1 1 17 17 PHE H H 1 7.467 0.000 . . . . . . A 17 PHE H . 34419 1 143 . 1 1 17 17 PHE HA H 1 4.370 0.002 . . . . . . A 17 PHE HA . 34419 1 144 . 1 1 17 17 PHE HB2 H 1 3.221 0.002 . . . . . . A 17 PHE HB2 . 34419 1 145 . 1 1 17 17 PHE HB3 H 1 2.905 0.001 . . . . . . A 17 PHE HB3 . 34419 1 146 . 1 1 17 17 PHE HD1 H 1 6.709 0.003 . . . . . . A 17 PHE HD1 . 34419 1 147 . 1 1 17 17 PHE HD2 H 1 6.709 0.003 . . . . . . A 17 PHE HD2 . 34419 1 148 . 1 1 17 17 PHE HE1 H 1 7.314 0.002 . . . . . . A 17 PHE HE1 . 34419 1 149 . 1 1 17 17 PHE HE2 H 1 7.314 0.002 . . . . . . A 17 PHE HE2 . 34419 1 150 . 1 1 17 17 PHE HZ H 1 7.011 0.003 . . . . . . A 17 PHE HZ . 34419 1 151 . 1 1 17 17 PHE CA C 13 59.272 0.000 . . . . . . A 17 PHE CA . 34419 1 152 . 1 1 17 17 PHE CB C 13 38.743 0.000 . . . . . . A 17 PHE CB . 34419 1 153 . 1 1 17 17 PHE CD1 C 13 132.6 0.000 . . . . . . A 17 PHE CD1 . 34419 1 154 . 1 1 17 17 PHE CE1 C 13 130.7 0.000 . . . . . . A 17 PHE CE1 . 34419 1 155 . 1 1 17 17 PHE CZ C 13 130.8 0.000 . . . . . . A 17 PHE CZ . 34419 1 156 . 1 1 18 18 VAL H H 1 7.973 0.008 . . . . . . A 18 VAL H . 34419 1 157 . 1 1 18 18 VAL HA H 1 2.613 0.003 . . . . . . A 18 VAL HA . 34419 1 158 . 1 1 18 18 VAL HB H 1 1.605 0.003 . . . . . . A 18 VAL HB . 34419 1 159 . 1 1 18 18 VAL HG11 H 1 0.360 0.004 . . . . . . A 18 VAL HG11 . 34419 1 160 . 1 1 18 18 VAL HG12 H 1 0.360 0.004 . . . . . . A 18 VAL HG12 . 34419 1 161 . 1 1 18 18 VAL HG13 H 1 0.360 0.004 . . . . . . A 18 VAL HG13 . 34419 1 162 . 1 1 18 18 VAL HG21 H 1 0.531 0.005 . . . . . . A 18 VAL HG21 . 34419 1 163 . 1 1 18 18 VAL HG22 H 1 0.531 0.005 . . . . . . A 18 VAL HG22 . 34419 1 164 . 1 1 18 18 VAL HG23 H 1 0.531 0.005 . . . . . . A 18 VAL HG23 . 34419 1 165 . 1 1 18 18 VAL CA C 13 66.310 0.000 . . . . . . A 18 VAL CA . 34419 1 166 . 1 1 18 18 VAL CB C 13 31.118 0.000 . . . . . . A 18 VAL CB . 34419 1 167 . 1 1 18 18 VAL CG1 C 13 23.494 0.000 . . . . . . A 18 VAL CG1 . 34419 1 168 . 1 1 18 18 VAL CG2 C 13 21.734 0.000 . . . . . . A 18 VAL CG2 . 34419 1 169 . 1 1 19 19 ALA H H 1 7.541 0.002 . . . . . . A 19 ALA H . 34419 1 170 . 1 1 19 19 ALA HA H 1 4.059 0.001 . . . . . . A 19 ALA HA . 34419 1 171 . 1 1 19 19 ALA HB1 H 1 1.402 0.002 . . . . . . A 19 ALA HB1 . 34419 1 172 . 1 1 19 19 ALA HB2 H 1 1.402 0.002 . . . . . . A 19 ALA HB2 . 34419 1 173 . 1 1 19 19 ALA HB3 H 1 1.402 0.002 . . . . . . A 19 ALA HB3 . 34419 1 174 . 1 1 19 19 ALA CA C 13 55.166 0.000 . . . . . . A 19 ALA CA . 34419 1 175 . 1 1 19 19 ALA CB C 13 17.628 0.000 . . . . . . A 19 ALA CB . 34419 1 176 . 1 1 20 20 ARG H H 1 7.492 0.004 . . . . . . A 20 ARG H . 34419 1 177 . 1 1 20 20 ARG HA H 1 4.089 0.002 . . . . . . A 20 ARG HA . 34419 1 178 . 1 1 20 20 ARG HB2 H 1 1.981 0.003 . . . . . . A 20 ARG HB2 . 34419 1 179 . 1 1 20 20 ARG HB3 H 1 1.701 0.005 . . . . . . A 20 ARG HB3 . 34419 1 180 . 1 1 20 20 ARG HG2 H 1 1.452 0.002 . . . . . . A 20 ARG HG2 . 34419 1 181 . 1 1 20 20 ARG HG3 H 1 1.452 0.002 . . . . . . A 20 ARG HG3 . 34419 1 182 . 1 1 20 20 ARG HD2 H 1 3.273 0.004 . . . . . . A 20 ARG HD2 . 34419 1 183 . 1 1 20 20 ARG HD3 H 1 3.204 0.002 . . . . . . A 20 ARG HD3 . 34419 1 184 . 1 1 20 20 ARG CA C 13 59.859 0.000 . . . . . . A 20 ARG CA . 34419 1 185 . 1 1 20 20 ARG CB C 13 30.532 0.000 . . . . . . A 20 ARG CB . 34419 1 186 . 1 1 20 20 ARG CG C 13 28.772 0.000 . . . . . . A 20 ARG CG . 34419 1 187 . 1 1 20 20 ARG CD C 13 44.022 0.000 . . . . . . A 20 ARG CD . 34419 1 188 . 1 1 21 21 LEU H H 1 7.997 0.004 . . . . . . A 21 LEU H . 34419 1 189 . 1 1 21 21 LEU HA H 1 3.787 0.002 . . . . . . A 21 LEU HA . 34419 1 190 . 1 1 21 21 LEU HB2 H 1 1.325 0.001 . . . . . . A 21 LEU HB2 . 34419 1 191 . 1 1 21 21 LEU HB3 H 1 1.276 0.001 . . . . . . A 21 LEU HB3 . 34419 1 192 . 1 1 21 21 LEU HG H 1 1.177 0.004 . . . . . . A 21 LEU HG . 34419 1 193 . 1 1 21 21 LEU HD11 H 1 0.662 0.001 . . . . . . A 21 LEU HD11 . 34419 1 194 . 1 1 21 21 LEU HD12 H 1 0.662 0.001 . . . . . . A 21 LEU HD12 . 34419 1 195 . 1 1 21 21 LEU HD13 H 1 0.662 0.001 . . . . . . A 21 LEU HD13 . 34419 1 196 . 1 1 21 21 LEU HD21 H 1 0.592 0.001 . . . . . . A 21 LEU HD21 . 34419 1 197 . 1 1 21 21 LEU HD22 H 1 0.592 0.001 . . . . . . A 21 LEU HD22 . 34419 1 198 . 1 1 21 21 LEU HD23 H 1 0.592 0.001 . . . . . . A 21 LEU HD23 . 34419 1 199 . 1 1 21 21 LEU CA C 13 57.512 0.000 . . . . . . A 21 LEU CA . 34419 1 200 . 1 1 21 21 LEU CB C 13 42.263 0.000 . . . . . . A 21 LEU CB . 34419 1 201 . 1 1 21 21 LEU CG C 13 26.426 0.000 . . . . . . A 21 LEU CG . 34419 1 202 . 1 1 21 21 LEU CD1 C 13 25.253 0.000 . . . . . . A 21 LEU CD1 . 34419 1 203 . 1 1 21 21 LEU CD2 C 13 24.080 0.000 . . . . . . A 21 LEU CD2 . 34419 1 204 . 1 1 22 22 GLN H H 1 8.569 0.003 . . . . . . A 22 GLN H . 34419 1 205 . 1 1 22 22 GLN HA H 1 3.791 0.001 . . . . . . A 22 GLN HA . 34419 1 206 . 1 1 22 22 GLN HB2 H 1 2.097 0.004 . . . . . . A 22 GLN HB2 . 34419 1 207 . 1 1 22 22 GLN HB3 H 1 1.917 0.004 . . . . . . A 22 GLN HB3 . 34419 1 208 . 1 1 22 22 GLN HG2 H 1 2.362 0.003 . . . . . . A 22 GLN HG2 . 34419 1 209 . 1 1 22 22 GLN HG3 H 1 2.155 0.003 . . . . . . A 22 GLN HG3 . 34419 1 210 . 1 1 22 22 GLN HE21 H 1 7.045 0.004 . . . . . . A 22 GLN HE21 . 34419 1 211 . 1 1 22 22 GLN HE22 H 1 6.681 0.003 . . . . . . A 22 GLN HE22 . 34419 1 212 . 1 1 22 22 GLN CA C 13 59.272 0.000 . . . . . . A 22 GLN CA . 34419 1 213 . 1 1 22 22 GLN CB C 13 28.186 0.000 . . . . . . A 22 GLN CB . 34419 1 214 . 1 1 22 22 GLN CG C 13 34.638 0.000 . . . . . . A 22 GLN CG . 34419 1 215 . 1 1 23 23 ASP H H 1 7.730 0.006 . . . . . . A 23 ASP H . 34419 1 216 . 1 1 23 23 ASP HA H 1 4.311 0.001 . . . . . . A 23 ASP HA . 34419 1 217 . 1 1 23 23 ASP HB2 H 1 2.684 0.003 . . . . . . A 23 ASP HB2 . 34419 1 218 . 1 1 23 23 ASP HB3 H 1 2.684 0.003 . . . . . . A 23 ASP HB3 . 34419 1 219 . 1 1 23 23 ASP CA C 13 57.512 0.000 . . . . . . A 23 ASP CA . 34419 1 220 . 1 1 23 23 ASP CB C 13 41.676 0.000 . . . . . . A 23 ASP CB . 34419 1 221 . 1 1 24 24 VAL H H 1 7.715 0.009 . . . . . . A 24 VAL H . 34419 1 222 . 1 1 24 24 VAL HA H 1 3.546 0.002 . . . . . . A 24 VAL HA . 34419 1 223 . 1 1 24 24 VAL HB H 1 1.896 0.006 . . . . . . A 24 VAL HB . 34419 1 224 . 1 1 24 24 VAL HG11 H 1 0.875 0.004 . . . . . . A 24 VAL HG11 . 34419 1 225 . 1 1 24 24 VAL HG12 H 1 0.875 0.004 . . . . . . A 24 VAL HG12 . 34419 1 226 . 1 1 24 24 VAL HG13 H 1 0.875 0.004 . . . . . . A 24 VAL HG13 . 34419 1 227 . 1 1 24 24 VAL HG21 H 1 0.528 0.002 . . . . . . A 24 VAL HG21 . 34419 1 228 . 1 1 24 24 VAL HG22 H 1 0.528 0.002 . . . . . . A 24 VAL HG22 . 34419 1 229 . 1 1 24 24 VAL HG23 H 1 0.528 0.002 . . . . . . A 24 VAL HG23 . 34419 1 230 . 1 1 24 24 VAL CA C 13 65.724 0.000 . . . . . . A 24 VAL CA . 34419 1 231 . 1 1 24 24 VAL CB C 13 31.705 0.000 . . . . . . A 24 VAL CB . 34419 1 232 . 1 1 24 24 VAL CG1 C 13 22.907 0.000 . . . . . . A 24 VAL CG1 . 34419 1 233 . 1 1 24 24 VAL CG2 C 13 20.561 0.000 . . . . . . A 24 VAL CG2 . 34419 1 234 . 1 1 25 25 ALA H H 1 8.576 0.003 . . . . . . A 25 ALA H . 34419 1 235 . 1 1 25 25 ALA HA H 1 3.871 0.002 . . . . . . A 25 ALA HA . 34419 1 236 . 1 1 25 25 ALA HB1 H 1 1.316 0.001 . . . . . . A 25 ALA HB1 . 34419 1 237 . 1 1 25 25 ALA HB2 H 1 1.316 0.001 . . . . . . A 25 ALA HB2 . 34419 1 238 . 1 1 25 25 ALA HB3 H 1 1.316 0.001 . . . . . . A 25 ALA HB3 . 34419 1 239 . 1 1 25 25 ALA CA C 13 55.753 0.000 . . . . . . A 25 ALA CA . 34419 1 240 . 1 1 25 25 ALA CB C 13 18.801 0.000 . . . . . . A 25 ALA CB . 34419 1 241 . 1 1 26 26 GLN H H 1 8.173 0.003 . . . . . . A 26 GLN H . 34419 1 242 . 1 1 26 26 GLN HA H 1 3.740 0.001 . . . . . . A 26 GLN HA . 34419 1 243 . 1 1 26 26 GLN HB2 H 1 2.191 0.002 . . . . . . A 26 GLN HB2 . 34419 1 244 . 1 1 26 26 GLN HB3 H 1 2.114 0.002 . . . . . . A 26 GLN HB3 . 34419 1 245 . 1 1 26 26 GLN HG2 H 1 2.402 0.002 . . . . . . A 26 GLN HG2 . 34419 1 246 . 1 1 26 26 GLN HG3 H 1 2.355 0.003 . . . . . . A 26 GLN HG3 . 34419 1 247 . 1 1 26 26 GLN CA C 13 58.685 0.000 . . . . . . A 26 GLN CA . 34419 1 248 . 1 1 26 26 GLN CB C 13 27.599 0.000 . . . . . . A 26 GLN CB . 34419 1 249 . 1 1 26 26 GLN CG C 13 34.051 0.000 . . . . . . A 26 GLN CG . 34419 1 250 . 1 1 27 27 LYS H H 1 7.224 0.001 . . . . . . A 27 LYS H . 34419 1 251 . 1 1 27 27 LYS HA H 1 4.084 0.006 . . . . . . A 27 LYS HA . 34419 1 252 . 1 1 27 27 LYS HB2 H 1 1.838 0.002 . . . . . . A 27 LYS HB2 . 34419 1 253 . 1 1 27 27 LYS HB3 H 1 1.708 0.001 . . . . . . A 27 LYS HB3 . 34419 1 254 . 1 1 27 27 LYS HG2 H 1 1.504 0.016 . . . . . . A 27 LYS HG2 . 34419 1 255 . 1 1 27 27 LYS HG3 H 1 1.384 0.033 . . . . . . A 27 LYS HG3 . 34419 1 256 . 1 1 27 27 LYS HD2 H 1 1.549 0.001 . . . . . . A 27 LYS HD2 . 34419 1 257 . 1 1 27 27 LYS HD3 H 1 1.473 0.000 . . . . . . A 27 LYS HD3 . 34419 1 258 . 1 1 27 27 LYS HE2 H 1 2.877 0.003 . . . . . . A 27 LYS HE2 . 34419 1 259 . 1 1 27 27 LYS HE3 H 1 2.877 0.003 . . . . . . A 27 LYS HE3 . 34419 1 260 . 1 1 27 27 LYS CA C 13 57.512 0.000 . . . . . . A 27 LYS CA . 34419 1 261 . 1 1 27 27 LYS CB C 13 33.465 0.000 . . . . . . A 27 LYS CB . 34419 1 262 . 1 1 27 27 LYS CG C 13 25.840 0.000 . . . . . . A 27 LYS CG . 34419 1 263 . 1 1 27 27 LYS CD C 13 28.772 0.000 . . . . . . A 27 LYS CD . 34419 1 264 . 1 1 27 27 LYS CE C 13 41.676 0.000 . . . . . . A 27 LYS CE . 34419 1 265 . 1 1 28 28 SER H H 1 7.582 0.002 . . . . . . A 28 SER H . 34419 1 266 . 1 1 28 28 SER HA H 1 4.562 0.001 . . . . . . A 28 SER HA . 34419 1 267 . 1 1 28 28 SER HB2 H 1 3.778 0.002 . . . . . . A 28 SER HB2 . 34419 1 268 . 1 1 28 28 SER HB3 H 1 3.778 0.002 . . . . . . A 28 SER HB3 . 34419 1 269 . 1 1 28 28 SER CA C 13 59.859 0.000 . . . . . . A 28 SER CA . 34419 1 270 . 1 1 28 28 SER CB C 13 65.724 0.000 . . . . . . A 28 SER CB . 34419 1 271 . 1 1 29 29 ILE H H 1 7.929 0.000 . . . . . . A 29 ILE H . 34419 1 272 . 1 1 29 29 ILE HA H 1 4.293 0.003 . . . . . . A 29 ILE HA . 34419 1 273 . 1 1 29 29 ILE HB H 1 1.823 0.002 . . . . . . A 29 ILE HB . 34419 1 274 . 1 1 29 29 ILE HG12 H 1 1.474 0.002 . . . . . . A 29 ILE HG12 . 34419 1 275 . 1 1 29 29 ILE HG13 H 1 1.075 0.006 . . . . . . A 29 ILE HG13 . 34419 1 276 . 1 1 29 29 ILE HG21 H 1 0.851 0.000 . . . . . . A 29 ILE HG21 . 34419 1 277 . 1 1 29 29 ILE HG22 H 1 0.851 0.000 . . . . . . A 29 ILE HG22 . 34419 1 278 . 1 1 29 29 ILE HG23 H 1 0.851 0.000 . . . . . . A 29 ILE HG23 . 34419 1 279 . 1 1 29 29 ILE HD11 H 1 0.699 0.002 . . . . . . A 29 ILE HD11 . 34419 1 280 . 1 1 29 29 ILE HD12 H 1 0.699 0.002 . . . . . . A 29 ILE HD12 . 34419 1 281 . 1 1 29 29 ILE HD13 H 1 0.699 0.002 . . . . . . A 29 ILE HD13 . 34419 1 282 . 1 1 29 29 ILE CA C 13 59.859 0.000 . . . . . . A 29 ILE CA . 34419 1 283 . 1 1 29 29 ILE CB C 13 38.743 0.000 . . . . . . A 29 ILE CB . 34419 1 284 . 1 1 29 29 ILE CG1 C 13 26.426 0.000 . . . . . . A 29 ILE CG1 . 34419 1 285 . 1 1 29 29 ILE CG2 C 13 17.628 0.000 . . . . . . A 29 ILE CG2 . 34419 1 286 . 1 1 29 29 ILE CD1 C 13 13.523 0.000 . . . . . . A 29 ILE CD1 . 34419 1 287 . 1 1 30 30 ALA HA H 1 4.106 0.000 . . . . . . A 30 ALA HA . 34419 1 288 . 1 1 30 30 ALA HB1 H 1 1.331 0.019 . . . . . . A 30 ALA HB1 . 34419 1 289 . 1 1 30 30 ALA HB2 H 1 1.331 0.019 . . . . . . A 30 ALA HB2 . 34419 1 290 . 1 1 30 30 ALA HB3 H 1 1.331 0.019 . . . . . . A 30 ALA HB3 . 34419 1 291 . 1 1 30 30 ALA CA C 13 54.580 0.000 . . . . . . A 30 ALA CA . 34419 1 292 . 1 1 30 30 ALA CB C 13 18.215 0.000 . . . . . . A 30 ALA CB . 34419 1 293 . 1 1 31 31 ASP H H 1 7.565 0.003 . . . . . . A 31 ASP H . 34419 1 294 . 1 1 31 31 ASP HA H 1 4.510 0.004 . . . . . . A 31 ASP HA . 34419 1 295 . 1 1 31 31 ASP HB2 H 1 2.640 0.002 . . . . . . A 31 ASP HB2 . 34419 1 296 . 1 1 31 31 ASP HB3 H 1 2.572 0.003 . . . . . . A 31 ASP HB3 . 34419 1 297 . 1 1 31 31 ASP CA C 13 53.993 0.000 . . . . . . A 31 ASP CA . 34419 1 298 . 1 1 31 31 ASP CB C 13 42.263 0.000 . . . . . . A 31 ASP CB . 34419 1 299 . 1 1 32 32 GLU H H 1 8.896 0.002 . . . . . . A 32 GLU H . 34419 1 300 . 1 1 32 32 GLU HA H 1 3.647 0.004 . . . . . . A 32 GLU HA . 34419 1 301 . 1 1 32 32 GLU HB2 H 1 2.023 0.002 . . . . . . A 32 GLU HB2 . 34419 1 302 . 1 1 32 32 GLU HB3 H 1 2.023 0.002 . . . . . . A 32 GLU HB3 . 34419 1 303 . 1 1 32 32 GLU HG2 H 1 2.303 0.001 . . . . . . A 32 GLU HG2 . 34419 1 304 . 1 1 32 32 GLU HG3 H 1 2.208 0.001 . . . . . . A 32 GLU HG3 . 34419 1 305 . 1 1 32 32 GLU CA C 13 59.859 0.000 . . . . . . A 32 GLU CA . 34419 1 306 . 1 1 32 32 GLU CB C 13 29.945 0.000 . . . . . . A 32 GLU CB . 34419 1 307 . 1 1 32 32 GLU CG C 13 36.397 0.000 . . . . . . A 32 GLU CG . 34419 1 308 . 1 1 33 33 LYS H H 1 8.081 0.007 . . . . . . A 33 LYS H . 34419 1 309 . 1 1 33 33 LYS HA H 1 4.021 0.002 . . . . . . A 33 LYS HA . 34419 1 310 . 1 1 33 33 LYS HB2 H 1 1.944 0.002 . . . . . . A 33 LYS HB2 . 34419 1 311 . 1 1 33 33 LYS HB3 H 1 1.803 0.003 . . . . . . A 33 LYS HB3 . 34419 1 312 . 1 1 33 33 LYS HG2 H 1 1.485 0.000 . . . . . . A 33 LYS HG2 . 34419 1 313 . 1 1 33 33 LYS HG3 H 1 1.358 0.000 . . . . . . A 33 LYS HG3 . 34419 1 314 . 1 1 33 33 LYS HD2 H 1 1.665 0.001 . . . . . . A 33 LYS HD2 . 34419 1 315 . 1 1 33 33 LYS HD3 H 1 1.665 0.001 . . . . . . A 33 LYS HD3 . 34419 1 316 . 1 1 33 33 LYS HE2 H 1 2.950 0.000 . . . . . . A 33 LYS HE2 . 34419 1 317 . 1 1 33 33 LYS HE3 H 1 2.950 0.000 . . . . . . A 33 LYS HE3 . 34419 1 318 . 1 1 33 33 LYS CA C 13 59.272 0.000 . . . . . . A 33 LYS CA . 34419 1 319 . 1 1 33 33 LYS CB C 13 31.705 0.000 . . . . . . A 33 LYS CB . 34419 1 320 . 1 1 33 33 LYS CD C 13 28.186 0.000 . . . . . . A 33 LYS CD . 34419 1 321 . 1 1 34 34 ALA HA H 1 3.930 0.002 . . . . . . A 34 ALA HA . 34419 1 322 . 1 1 34 34 ALA HB1 H 1 1.308 0.002 . . . . . . A 34 ALA HB1 . 34419 1 323 . 1 1 34 34 ALA HB2 H 1 1.308 0.002 . . . . . . A 34 ALA HB2 . 34419 1 324 . 1 1 34 34 ALA HB3 H 1 1.308 0.002 . . . . . . A 34 ALA HB3 . 34419 1 325 . 1 1 34 34 ALA CA C 13 54.580 0.000 . . . . . . A 34 ALA CA . 34419 1 326 . 1 1 34 34 ALA CB C 13 18.215 0.000 . . . . . . A 34 ALA CB . 34419 1 327 . 1 1 35 35 ARG H H 1 8.344 0.000 . . . . . . A 35 ARG H . 34419 1 328 . 1 1 35 35 ARG HA H 1 3.528 0.003 . . . . . . A 35 ARG HA . 34419 1 329 . 1 1 35 35 ARG HB2 H 1 1.930 0.004 . . . . . . A 35 ARG HB2 . 34419 1 330 . 1 1 35 35 ARG HB3 H 1 1.700 0.002 . . . . . . A 35 ARG HB3 . 34419 1 331 . 1 1 35 35 ARG HG2 H 1 1.477 0.004 . . . . . . A 35 ARG HG2 . 34419 1 332 . 1 1 35 35 ARG HG3 H 1 1.477 0.004 . . . . . . A 35 ARG HG3 . 34419 1 333 . 1 1 35 35 ARG HD2 H 1 3.134 0.002 . . . . . . A 35 ARG HD2 . 34419 1 334 . 1 1 35 35 ARG HD3 H 1 3.064 0.000 . . . . . . A 35 ARG HD3 . 34419 1 335 . 1 1 35 35 ARG CA C 13 59.859 0.000 . . . . . . A 35 ARG CA . 34419 1 336 . 1 1 35 35 ARG CB C 13 31.118 0.000 . . . . . . A 35 ARG CB . 34419 1 337 . 1 1 35 35 ARG CG C 13 27.013 0.000 . . . . . . A 35 ARG CG . 34419 1 338 . 1 1 35 35 ARG CD C 13 44.022 0.000 . . . . . . A 35 ARG CD . 34419 1 339 . 1 1 36 36 LYS H H 1 7.344 0.001 . . . . . . A 36 LYS H . 34419 1 340 . 1 1 36 36 LYS HA H 1 3.875 0.003 . . . . . . A 36 LYS HA . 34419 1 341 . 1 1 36 36 LYS HB2 H 1 1.855 0.001 . . . . . . A 36 LYS HB2 . 34419 1 342 . 1 1 36 36 LYS HB3 H 1 1.855 0.001 . . . . . . A 36 LYS HB3 . 34419 1 343 . 1 1 36 36 LYS HG2 H 1 1.465 0.003 . . . . . . A 36 LYS HG2 . 34419 1 344 . 1 1 36 36 LYS HG3 H 1 1.312 0.003 . . . . . . A 36 LYS HG3 . 34419 1 345 . 1 1 36 36 LYS HD2 H 1 1.645 0.001 . . . . . . A 36 LYS HD2 . 34419 1 346 . 1 1 36 36 LYS HD3 H 1 1.645 0.001 . . . . . . A 36 LYS HD3 . 34419 1 347 . 1 1 36 36 LYS HE2 H 1 2.965 0.002 . . . . . . A 36 LYS HE2 . 34419 1 348 . 1 1 36 36 LYS HE3 H 1 2.965 0.002 . . . . . . A 36 LYS HE3 . 34419 1 349 . 1 1 36 36 LYS CA C 13 59.859 0.000 . . . . . . A 36 LYS CA . 34419 1 350 . 1 1 36 36 LYS CB C 13 32.878 0.000 . . . . . . A 36 LYS CB . 34419 1 351 . 1 1 36 36 LYS CG C 13 24.667 0.000 . . . . . . A 36 LYS CG . 34419 1 352 . 1 1 36 36 LYS CD C 13 29.359 0.000 . . . . . . A 36 LYS CD . 34419 1 353 . 1 1 36 36 LYS CE C 13 42.263 0.000 . . . . . . A 36 LYS CE . 34419 1 354 . 1 1 37 37 VAL H H 1 7.156 0.001 . . . . . . A 37 VAL H . 34419 1 355 . 1 1 37 37 VAL HA H 1 3.677 0.000 . . . . . . A 37 VAL HA . 34419 1 356 . 1 1 37 37 VAL HB H 1 2.054 0.001 . . . . . . A 37 VAL HB . 34419 1 357 . 1 1 37 37 VAL HG11 H 1 1.017 0.003 . . . . . . A 37 VAL HG11 . 34419 1 358 . 1 1 37 37 VAL HG12 H 1 1.017 0.003 . . . . . . A 37 VAL HG12 . 34419 1 359 . 1 1 37 37 VAL HG13 H 1 1.017 0.003 . . . . . . A 37 VAL HG13 . 34419 1 360 . 1 1 37 37 VAL HG21 H 1 0.886 0.002 . . . . . . A 37 VAL HG21 . 34419 1 361 . 1 1 37 37 VAL HG22 H 1 0.886 0.002 . . . . . . A 37 VAL HG22 . 34419 1 362 . 1 1 37 37 VAL HG23 H 1 0.886 0.002 . . . . . . A 37 VAL HG23 . 34419 1 363 . 1 1 37 37 VAL CA C 13 65.724 0.000 . . . . . . A 37 VAL CA . 34419 1 364 . 1 1 37 37 VAL CB C 13 32.292 0.000 . . . . . . A 37 VAL CB . 34419 1 365 . 1 1 37 37 VAL CG1 C 13 21.734 0.000 . . . . . . A 37 VAL CG1 . 34419 1 366 . 1 1 37 37 VAL CG2 C 13 21.147 0.000 . . . . . . A 37 VAL CG2 . 34419 1 367 . 1 1 38 38 ILE H H 1 7.851 0.003 . . . . . . A 38 ILE H . 34419 1 368 . 1 1 38 38 ILE HA H 1 3.657 0.002 . . . . . . A 38 ILE HA . 34419 1 369 . 1 1 38 38 ILE HB H 1 1.693 0.002 . . . . . . A 38 ILE HB . 34419 1 370 . 1 1 38 38 ILE HG12 H 1 1.383 0.004 . . . . . . A 38 ILE HG12 . 34419 1 371 . 1 1 38 38 ILE HG13 H 1 0.966 0.003 . . . . . . A 38 ILE HG13 . 34419 1 372 . 1 1 38 38 ILE HG21 H 1 0.464 0.001 . . . . . . A 38 ILE HG21 . 34419 1 373 . 1 1 38 38 ILE HG22 H 1 0.464 0.001 . . . . . . A 38 ILE HG22 . 34419 1 374 . 1 1 38 38 ILE HG23 H 1 0.464 0.001 . . . . . . A 38 ILE HG23 . 34419 1 375 . 1 1 38 38 ILE HD11 H 1 0.623 0.000 . . . . . . A 38 ILE HD11 . 34419 1 376 . 1 1 38 38 ILE HD12 H 1 0.623 0.000 . . . . . . A 38 ILE HD12 . 34419 1 377 . 1 1 38 38 ILE HD13 H 1 0.623 0.000 . . . . . . A 38 ILE HD13 . 34419 1 378 . 1 1 38 38 ILE CA C 13 63.964 0.000 . . . . . . A 38 ILE CA . 34419 1 379 . 1 1 38 38 ILE CB C 13 36.984 0.000 . . . . . . A 38 ILE CB . 34419 1 380 . 1 1 38 38 ILE CG1 C 13 29.359 0.000 . . . . . . A 38 ILE CG1 . 34419 1 381 . 1 1 38 38 ILE CG2 C 13 17.628 0.000 . . . . . . A 38 ILE CG2 . 34419 1 382 . 1 1 38 38 ILE CD1 C 13 12.936 0.000 . . . . . . A 38 ILE CD1 . 34419 1 383 . 1 1 39 39 VAL H H 1 8.363 0.002 . . . . . . A 39 VAL H . 34419 1 384 . 1 1 39 39 VAL HA H 1 3.250 0.001 . . . . . . A 39 VAL HA . 34419 1 385 . 1 1 39 39 VAL HB H 1 2.032 0.005 . . . . . . A 39 VAL HB . 34419 1 386 . 1 1 39 39 VAL HG11 H 1 0.817 0.003 . . . . . . A 39 VAL HG11 . 34419 1 387 . 1 1 39 39 VAL HG12 H 1 0.817 0.003 . . . . . . A 39 VAL HG12 . 34419 1 388 . 1 1 39 39 VAL HG13 H 1 0.817 0.003 . . . . . . A 39 VAL HG13 . 34419 1 389 . 1 1 39 39 VAL HG21 H 1 0.730 0.001 . . . . . . A 39 VAL HG21 . 34419 1 390 . 1 1 39 39 VAL HG22 H 1 0.730 0.001 . . . . . . A 39 VAL HG22 . 34419 1 391 . 1 1 39 39 VAL HG23 H 1 0.730 0.001 . . . . . . A 39 VAL HG23 . 34419 1 392 . 1 1 39 39 VAL CA C 13 68.070 0.000 . . . . . . A 39 VAL CA . 34419 1 393 . 1 1 39 39 VAL CB C 13 31.118 0.000 . . . . . . A 39 VAL CB . 34419 1 394 . 1 1 39 39 VAL CG1 C 13 24.667 0.000 . . . . . . A 39 VAL CG1 . 34419 1 395 . 1 1 39 39 VAL CG2 C 13 20.561 0.000 . . . . . . A 39 VAL CG2 . 34419 1 396 . 1 1 40 40 GLU H H 1 7.965 0.006 . . . . . . A 40 GLU H . 34419 1 397 . 1 1 40 40 GLU HA H 1 3.654 0.003 . . . . . . A 40 GLU HA . 34419 1 398 . 1 1 40 40 GLU HB2 H 1 2.159 0.002 . . . . . . A 40 GLU HB2 . 34419 1 399 . 1 1 40 40 GLU HB3 H 1 1.793 0.002 . . . . . . A 40 GLU HB3 . 34419 1 400 . 1 1 40 40 GLU HG2 H 1 2.555 0.003 . . . . . . A 40 GLU HG2 . 34419 1 401 . 1 1 40 40 GLU HG3 H 1 1.871 0.006 . . . . . . A 40 GLU HG3 . 34419 1 402 . 1 1 40 40 GLU CA C 13 60.445 0.000 . . . . . . A 40 GLU CA . 34419 1 403 . 1 1 40 40 GLU CB C 13 29.359 0.000 . . . . . . A 40 GLU CB . 34419 1 404 . 1 1 40 40 GLU CG C 13 36.984 0.000 . . . . . . A 40 GLU CG . 34419 1 405 . 1 1 41 41 LEU H H 1 7.759 0.010 . . . . . . A 41 LEU H . 34419 1 406 . 1 1 41 41 LEU HA H 1 4.362 0.002 . . . . . . A 41 LEU HA . 34419 1 407 . 1 1 41 41 LEU HB2 H 1 1.808 0.004 . . . . . . A 41 LEU HB2 . 34419 1 408 . 1 1 41 41 LEU HB3 H 1 1.808 0.004 . . . . . . A 41 LEU HB3 . 34419 1 409 . 1 1 41 41 LEU HG H 1 1.743 0.004 . . . . . . A 41 LEU HG . 34419 1 410 . 1 1 41 41 LEU HD11 H 1 0.962 0.001 . . . . . . A 41 LEU HD11 . 34419 1 411 . 1 1 41 41 LEU HD12 H 1 0.962 0.001 . . . . . . A 41 LEU HD12 . 34419 1 412 . 1 1 41 41 LEU HD13 H 1 0.962 0.001 . . . . . . A 41 LEU HD13 . 34419 1 413 . 1 1 41 41 LEU HD21 H 1 0.879 0.002 . . . . . . A 41 LEU HD21 . 34419 1 414 . 1 1 41 41 LEU HD22 H 1 0.879 0.002 . . . . . . A 41 LEU HD22 . 34419 1 415 . 1 1 41 41 LEU HD23 H 1 0.879 0.002 . . . . . . A 41 LEU HD23 . 34419 1 416 . 1 1 41 41 LEU CA C 13 58.099 0.000 . . . . . . A 41 LEU CA . 34419 1 417 . 1 1 41 41 LEU CB C 13 42.849 0.000 . . . . . . A 41 LEU CB . 34419 1 418 . 1 1 41 41 LEU CG C 13 27.013 0.000 . . . . . . A 41 LEU CG . 34419 1 419 . 1 1 41 41 LEU CD1 C 13 24.667 0.000 . . . . . . A 41 LEU CD1 . 34419 1 420 . 1 1 41 41 LEU CD2 C 13 24.667 0.000 . . . . . . A 41 LEU CD2 . 34419 1 421 . 1 1 42 42 MET H H 1 8.874 0.003 . . . . . . A 42 MET H . 34419 1 422 . 1 1 42 42 MET HA H 1 4.267 0.003 . . . . . . A 42 MET HA . 34419 1 423 . 1 1 42 42 MET HB2 H 1 2.106 0.006 . . . . . . A 42 MET HB2 . 34419 1 424 . 1 1 42 42 MET HB3 H 1 1.936 0.000 . . . . . . A 42 MET HB3 . 34419 1 425 . 1 1 42 42 MET HG2 H 1 2.571 0.002 . . . . . . A 42 MET HG2 . 34419 1 426 . 1 1 42 42 MET HG3 H 1 2.516 0.002 . . . . . . A 42 MET HG3 . 34419 1 427 . 1 1 42 42 MET HE1 H 1 1.929 0.002 . . . . . . A 42 MET HE1 . 34419 1 428 . 1 1 42 42 MET HE2 H 1 1.929 0.002 . . . . . . A 42 MET HE2 . 34419 1 429 . 1 1 42 42 MET HE3 H 1 1.929 0.002 . . . . . . A 42 MET HE3 . 34419 1 430 . 1 1 42 42 MET CA C 13 58.099 0.000 . . . . . . A 42 MET CA . 34419 1 431 . 1 1 42 42 MET CB C 13 32.292 0.000 . . . . . . A 42 MET CB . 34419 1 432 . 1 1 42 42 MET CG C 13 33.465 0.000 . . . . . . A 42 MET CG . 34419 1 433 . 1 1 42 42 MET CE C 13 18.215 0.000 . . . . . . A 42 MET CE . 34419 1 434 . 1 1 43 43 ALA H H 1 8.840 0.003 . . . . . . A 43 ALA H . 34419 1 435 . 1 1 43 43 ALA HA H 1 4.040 0.003 . . . . . . A 43 ALA HA . 34419 1 436 . 1 1 43 43 ALA HB1 H 1 1.592 0.002 . . . . . . A 43 ALA HB1 . 34419 1 437 . 1 1 43 43 ALA HB2 H 1 1.592 0.002 . . . . . . A 43 ALA HB2 . 34419 1 438 . 1 1 43 43 ALA HB3 H 1 1.592 0.002 . . . . . . A 43 ALA HB3 . 34419 1 439 . 1 1 43 43 ALA CA C 13 54.580 0.000 . . . . . . A 43 ALA CA . 34419 1 440 . 1 1 43 43 ALA CB C 13 17.628 0.000 . . . . . . A 43 ALA CB . 34419 1 441 . 1 1 44 44 TYR H H 1 7.349 0.000 . . . . . . A 44 TYR H . 34419 1 442 . 1 1 44 44 TYR HA H 1 4.663 0.002 . . . . . . A 44 TYR HA . 34419 1 443 . 1 1 44 44 TYR HB2 H 1 3.153 0.002 . . . . . . A 44 TYR HB2 . 34419 1 444 . 1 1 44 44 TYR HB3 H 1 2.903 0.005 . . . . . . A 44 TYR HB3 . 34419 1 445 . 1 1 44 44 TYR HD1 H 1 6.867 0.005 . . . . . . A 44 TYR HD1 . 34419 1 446 . 1 1 44 44 TYR HD2 H 1 6.867 0.005 . . . . . . A 44 TYR HD2 . 34419 1 447 . 1 1 44 44 TYR HE1 H 1 6.824 0.002 . . . . . . A 44 TYR HE1 . 34419 1 448 . 1 1 44 44 TYR HE2 H 1 6.824 0.002 . . . . . . A 44 TYR HE2 . 34419 1 449 . 1 1 44 44 TYR CA C 13 59.859 0.000 . . . . . . A 44 TYR CA . 34419 1 450 . 1 1 44 44 TYR CB C 13 40.503 0.000 . . . . . . A 44 TYR CB . 34419 1 451 . 1 1 44 44 TYR CD1 C 13 133.0 0.000 . . . . . . A 44 TYR CD1 . 34419 1 452 . 1 1 44 44 TYR CE1 C 13 118.0 0.000 . . . . . . A 44 TYR CE1 . 34419 1 453 . 1 1 45 45 GLU H H 1 8.656 0.006 . . . . . . A 45 GLU H . 34419 1 454 . 1 1 45 45 GLU HA H 1 3.560 0.003 . . . . . . A 45 GLU HA . 34419 1 455 . 1 1 45 45 GLU HB2 H 1 2.118 0.003 . . . . . . A 45 GLU HB2 . 34419 1 456 . 1 1 45 45 GLU HB3 H 1 1.954 0.003 . . . . . . A 45 GLU HB3 . 34419 1 457 . 1 1 45 45 GLU HG2 H 1 2.432 0.002 . . . . . . A 45 GLU HG2 . 34419 1 458 . 1 1 45 45 GLU HG3 H 1 2.432 0.002 . . . . . . A 45 GLU HG3 . 34419 1 459 . 1 1 45 45 GLU CA C 13 59.859 0.000 . . . . . . A 45 GLU CA . 34419 1 460 . 1 1 45 45 GLU CB C 13 29.945 0.000 . . . . . . A 45 GLU CB . 34419 1 461 . 1 1 45 45 GLU CG C 13 36.397 0.000 . . . . . . A 45 GLU CG . 34419 1 462 . 1 1 46 46 ASN H H 1 8.553 0.000 . . . . . . A 46 ASN H . 34419 1 463 . 1 1 46 46 ASN HA H 1 4.850 0.000 . . . . . . A 46 ASN HA . 34419 1 464 . 1 1 46 46 ASN HB2 H 1 3.614 0.004 . . . . . . A 46 ASN HB2 . 34419 1 465 . 1 1 46 46 ASN HB3 H 1 3.123 0.004 . . . . . . A 46 ASN HB3 . 34419 1 466 . 1 1 46 46 ASN HD21 H 1 7.507 0.000 . . . . . . A 46 ASN HD21 . 34419 1 467 . 1 1 46 46 ASN HD22 H 1 6.287 0.002 . . . . . . A 46 ASN HD22 . 34419 1 468 . 1 1 46 46 ASN CA C 13 52.234 0.000 . . . . . . A 46 ASN CA . 34419 1 469 . 1 1 46 46 ASN CB C 13 36.984 0.000 . . . . . . A 46 ASN CB . 34419 1 470 . 1 1 47 47 ALA H H 1 6.942 0.000 . . . . . . A 47 ALA H . 34419 1 471 . 1 1 47 47 ALA HA H 1 3.951 0.001 . . . . . . A 47 ALA HA . 34419 1 472 . 1 1 47 47 ALA HB1 H 1 1.553 0.008 . . . . . . A 47 ALA HB1 . 34419 1 473 . 1 1 47 47 ALA HB2 H 1 1.553 0.008 . . . . . . A 47 ALA HB2 . 34419 1 474 . 1 1 47 47 ALA HB3 H 1 1.553 0.008 . . . . . . A 47 ALA HB3 . 34419 1 475 . 1 1 47 47 ALA CA C 13 51.647 0.000 . . . . . . A 47 ALA CA . 34419 1 476 . 1 1 47 47 ALA CB C 13 18.801 0.000 . . . . . . A 47 ALA CB . 34419 1 477 . 1 1 48 48 ASN H H 1 8.954 0.000 . . . . . . A 48 ASN H . 34419 1 478 . 1 1 48 48 ASN HA H 1 4.470 0.002 . . . . . . A 48 ASN HA . 34419 1 479 . 1 1 48 48 ASN HB2 H 1 3.171 0.003 . . . . . . A 48 ASN HB2 . 34419 1 480 . 1 1 48 48 ASN HB3 H 1 3.171 0.003 . . . . . . A 48 ASN HB3 . 34419 1 481 . 1 1 48 48 ASN HD21 H 1 7.101 0.000 . . . . . . A 48 ASN HD21 . 34419 1 482 . 1 1 48 48 ASN HD22 H 1 6.885 0.000 . . . . . . A 48 ASN HD22 . 34419 1 483 . 1 1 48 48 ASN CA C 13 51.647 0.000 . . . . . . A 48 ASN CA . 34419 1 484 . 1 1 48 48 ASN CB C 13 35.224 0.000 . . . . . . A 48 ASN CB . 34419 1 485 . 1 1 49 49 PRO HA H 1 4.073 0.001 . . . . . . A 49 PRO HA . 34419 1 486 . 1 1 49 49 PRO HB2 H 1 2.273 0.005 . . . . . . A 49 PRO HB2 . 34419 1 487 . 1 1 49 49 PRO HB3 H 1 1.757 0.003 . . . . . . A 49 PRO HB3 . 34419 1 488 . 1 1 49 49 PRO HD2 H 1 3.698 0.003 . . . . . . A 49 PRO HD2 . 34419 1 489 . 1 1 49 49 PRO HD3 H 1 3.698 0.003 . . . . . . A 49 PRO HD3 . 34419 1 490 . 1 1 49 49 PRO CA C 13 66.310 0.000 . . . . . . A 49 PRO CA . 34419 1 491 . 1 1 49 49 PRO CB C 13 32.291 0.001 . . . . . . A 49 PRO CB . 34419 1 492 . 1 1 49 49 PRO CD C 13 49.887 0.000 . . . . . . A 49 PRO CD . 34419 1 493 . 1 1 50 50 GLU H H 1 8.368 0.003 . . . . . . A 50 GLU H . 34419 1 494 . 1 1 50 50 GLU HA H 1 3.970 0.002 . . . . . . A 50 GLU HA . 34419 1 495 . 1 1 50 50 GLU HB2 H 1 2.028 0.002 . . . . . . A 50 GLU HB2 . 34419 1 496 . 1 1 50 50 GLU HB3 H 1 1.905 0.001 . . . . . . A 50 GLU HB3 . 34419 1 497 . 1 1 50 50 GLU HG2 H 1 2.333 0.001 . . . . . . A 50 GLU HG2 . 34419 1 498 . 1 1 50 50 GLU HG3 H 1 2.182 0.002 . . . . . . A 50 GLU HG3 . 34419 1 499 . 1 1 50 50 GLU CA C 13 60.445 0.000 . . . . . . A 50 GLU CA . 34419 1 500 . 1 1 50 50 GLU CB C 13 29.359 0.000 . . . . . . A 50 GLU CB . 34419 1 501 . 1 1 50 50 GLU CG C 13 36.984 0.000 . . . . . . A 50 GLU CG . 34419 1 502 . 1 1 51 51 CYS H H 1 8.474 0.003 . . . . . . A 51 CYS H . 34419 1 503 . 1 1 51 51 CYS HA H 1 4.264 0.002 . . . . . . A 51 CYS HA . 34419 1 504 . 1 1 51 51 CYS HB2 H 1 3.111 0.002 . . . . . . A 51 CYS HB2 . 34419 1 505 . 1 1 51 51 CYS HB3 H 1 2.657 0.003 . . . . . . A 51 CYS HB3 . 34419 1 506 . 1 1 51 51 CYS CA C 13 63.964 0.000 . . . . . . A 51 CYS CA . 34419 1 507 . 1 1 51 51 CYS CB C 13 28.186 0.000 . . . . . . A 51 CYS CB . 34419 1 508 . 1 1 52 52 GLN H H 1 9.059 0.004 . . . . . . A 52 GLN H . 34419 1 509 . 1 1 52 52 GLN HA H 1 3.597 0.004 . . . . . . A 52 GLN HA . 34419 1 510 . 1 1 52 52 GLN HB2 H 1 1.966 0.001 . . . . . . A 52 GLN HB2 . 34419 1 511 . 1 1 52 52 GLN HB3 H 1 1.723 0.003 . . . . . . A 52 GLN HB3 . 34419 1 512 . 1 1 52 52 GLN HG2 H 1 2.112 0.005 . . . . . . A 52 GLN HG2 . 34419 1 513 . 1 1 52 52 GLN HG3 H 1 1.524 0.006 . . . . . . A 52 GLN HG3 . 34419 1 514 . 1 1 52 52 GLN HE21 H 1 6.658 0.000 . . . . . . A 52 GLN HE21 . 34419 1 515 . 1 1 52 52 GLN HE22 H 1 6.300 0.000 . . . . . . A 52 GLN HE22 . 34419 1 516 . 1 1 52 52 GLN CA C 13 61.032 0.000 . . . . . . A 52 GLN CA . 34419 1 517 . 1 1 52 52 GLN CB C 13 28.186 0.000 . . . . . . A 52 GLN CB . 34419 1 518 . 1 1 52 52 GLN CG C 13 35.224 0.000 . . . . . . A 52 GLN CG . 34419 1 519 . 1 1 53 53 SER H H 1 7.864 0.002 . . . . . . A 53 SER H . 34419 1 520 . 1 1 53 53 SER HA H 1 4.078 0.001 . . . . . . A 53 SER HA . 34419 1 521 . 1 1 53 53 SER HB2 H 1 3.940 0.001 . . . . . . A 53 SER HB2 . 34419 1 522 . 1 1 53 53 SER HB3 H 1 3.876 0.001 . . . . . . A 53 SER HB3 . 34419 1 523 . 1 1 53 53 SER CA C 13 61.618 0.000 . . . . . . A 53 SER CA . 34419 1 524 . 1 1 53 53 SER CB C 13 62.791 0.000 . . . . . . A 53 SER CB . 34419 1 525 . 1 1 54 54 ALA H H 1 7.110 0.001 . . . . . . A 54 ALA H . 34419 1 526 . 1 1 54 54 ALA HA H 1 4.077 0.002 . . . . . . A 54 ALA HA . 34419 1 527 . 1 1 54 54 ALA HB1 H 1 1.387 0.002 . . . . . . A 54 ALA HB1 . 34419 1 528 . 1 1 54 54 ALA HB2 H 1 1.387 0.002 . . . . . . A 54 ALA HB2 . 34419 1 529 . 1 1 54 54 ALA HB3 H 1 1.387 0.002 . . . . . . A 54 ALA HB3 . 34419 1 530 . 1 1 54 54 ALA CA C 13 53.993 0.000 . . . . . . A 54 ALA CA . 34419 1 531 . 1 1 54 54 ALA CB C 13 19.388 0.000 . . . . . . A 54 ALA CB . 34419 1 532 . 1 1 55 55 ILE H H 1 7.616 0.003 . . . . . . A 55 ILE H . 34419 1 533 . 1 1 55 55 ILE HA H 1 3.401 0.004 . . . . . . A 55 ILE HA . 34419 1 534 . 1 1 55 55 ILE HB H 1 1.381 0.002 . . . . . . A 55 ILE HB . 34419 1 535 . 1 1 55 55 ILE HG12 H 1 1.349 0.002 . . . . . . A 55 ILE HG12 . 34419 1 536 . 1 1 55 55 ILE HG13 H 1 0.162 0.003 . . . . . . A 55 ILE HG13 . 34419 1 537 . 1 1 55 55 ILE HG21 H 1 -0.023 0.002 . . . . . . A 55 ILE HG21 . 34419 1 538 . 1 1 55 55 ILE HG22 H 1 -0.023 0.002 . . . . . . A 55 ILE HG22 . 34419 1 539 . 1 1 55 55 ILE HG23 H 1 -0.023 0.002 . . . . . . A 55 ILE HG23 . 34419 1 540 . 1 1 55 55 ILE HD11 H 1 0.344 0.002 . . . . . . A 55 ILE HD11 . 34419 1 541 . 1 1 55 55 ILE HD12 H 1 0.344 0.002 . . . . . . A 55 ILE HD12 . 34419 1 542 . 1 1 55 55 ILE HD13 H 1 0.344 0.002 . . . . . . A 55 ILE HD13 . 34419 1 543 . 1 1 55 55 ILE CA C 13 63.378 0.000 . . . . . . A 55 ILE CA . 34419 1 544 . 1 1 55 55 ILE CB C 13 39.330 0.000 . . . . . . A 55 ILE CB . 34419 1 545 . 1 1 55 55 ILE CG1 C 13 29.359 0.000 . . . . . . A 55 ILE CG1 . 34419 1 546 . 1 1 55 55 ILE CG2 C 13 17.628 0.000 . . . . . . A 55 ILE CG2 . 34419 1 547 . 1 1 55 55 ILE CD1 C 13 13.523 0.000 . . . . . . A 55 ILE CD1 . 34419 1 548 . 1 1 56 56 LYS H H 1 8.119 0.005 . . . . . . A 56 LYS H . 34419 1 549 . 1 1 56 56 LYS HA H 1 3.696 0.005 . . . . . . A 56 LYS HA . 34419 1 550 . 1 1 56 56 LYS HB2 H 1 1.890 0.002 . . . . . . A 56 LYS HB2 . 34419 1 551 . 1 1 56 56 LYS HB3 H 1 1.890 0.002 . . . . . . A 56 LYS HB3 . 34419 1 552 . 1 1 56 56 LYS HG2 H 1 1.446 0.001 . . . . . . A 56 LYS HG2 . 34419 1 553 . 1 1 56 56 LYS HG3 H 1 1.358 0.002 . . . . . . A 56 LYS HG3 . 34419 1 554 . 1 1 56 56 LYS HD2 H 1 2.106 0.003 . . . . . . A 56 LYS HD2 . 34419 1 555 . 1 1 56 56 LYS HD3 H 1 1.641 0.008 . . . . . . A 56 LYS HD3 . 34419 1 556 . 1 1 56 56 LYS HE2 H 1 2.893 0.003 . . . . . . A 56 LYS HE2 . 34419 1 557 . 1 1 56 56 LYS HE3 H 1 2.893 0.003 . . . . . . A 56 LYS HE3 . 34419 1 558 . 1 1 56 56 LYS CA C 13 62.205 0.000 . . . . . . A 56 LYS CA . 34419 1 559 . 1 1 56 56 LYS CB C 13 30.532 0.000 . . . . . . A 56 LYS CB . 34419 1 560 . 1 1 56 56 LYS CG C 13 25.253 0.000 . . . . . . A 56 LYS CG . 34419 1 561 . 1 1 56 56 LYS CD C 13 29.945 0.000 . . . . . . A 56 LYS CD . 34419 1 562 . 1 1 56 56 LYS CE C 13 42.263 0.000 . . . . . . A 56 LYS CE . 34419 1 563 . 1 1 57 57 PRO HA H 1 4.333 0.003 . . . . . . A 57 PRO HA . 34419 1 564 . 1 1 57 57 PRO HB2 H 1 2.282 0.000 . . . . . . A 57 PRO HB2 . 34419 1 565 . 1 1 57 57 PRO HB3 H 1 1.667 0.000 . . . . . . A 57 PRO HB3 . 34419 1 566 . 1 1 57 57 PRO HG2 H 1 1.864 0.001 . . . . . . A 57 PRO HG2 . 34419 1 567 . 1 1 57 57 PRO HG3 H 1 1.651 0.002 . . . . . . A 57 PRO HG3 . 34419 1 568 . 1 1 57 57 PRO HD2 H 1 3.576 0.002 . . . . . . A 57 PRO HD2 . 34419 1 569 . 1 1 57 57 PRO HD3 H 1 3.398 0.002 . . . . . . A 57 PRO HD3 . 34419 1 570 . 1 1 57 57 PRO CA C 13 65.724 0.000 . . . . . . A 57 PRO CA . 34419 1 571 . 1 1 57 57 PRO CB C 13 31.118 0.000 . . . . . . A 57 PRO CB . 34419 1 572 . 1 1 57 57 PRO CG C 13 28.186 0.000 . . . . . . A 57 PRO CG . 34419 1 573 . 1 1 57 57 PRO CD C 13 50.474 0.000 . . . . . . A 57 PRO CD . 34419 1 574 . 1 1 58 58 LEU H H 1 8.085 0.004 . . . . . . A 58 LEU H . 34419 1 575 . 1 1 58 58 LEU HA H 1 4.184 0.001 . . . . . . A 58 LEU HA . 34419 1 576 . 1 1 58 58 LEU HB2 H 1 1.875 0.003 . . . . . . A 58 LEU HB2 . 34419 1 577 . 1 1 58 58 LEU HB3 H 1 1.608 0.003 . . . . . . A 58 LEU HB3 . 34419 1 578 . 1 1 58 58 LEU HG H 1 1.648 0.001 . . . . . . A 58 LEU HG . 34419 1 579 . 1 1 58 58 LEU HD11 H 1 0.932 0.001 . . . . . . A 58 LEU HD11 . 34419 1 580 . 1 1 58 58 LEU HD12 H 1 0.932 0.001 . . . . . . A 58 LEU HD12 . 34419 1 581 . 1 1 58 58 LEU HD13 H 1 0.932 0.001 . . . . . . A 58 LEU HD13 . 34419 1 582 . 1 1 58 58 LEU HD21 H 1 0.872 0.002 . . . . . . A 58 LEU HD21 . 34419 1 583 . 1 1 58 58 LEU HD22 H 1 0.872 0.002 . . . . . . A 58 LEU HD22 . 34419 1 584 . 1 1 58 58 LEU HD23 H 1 0.872 0.002 . . . . . . A 58 LEU HD23 . 34419 1 585 . 1 1 58 58 LEU CA C 13 55.166 0.000 . . . . . . A 58 LEU CA . 34419 1 586 . 1 1 58 58 LEU CB C 13 43.436 0.000 . . . . . . A 58 LEU CB . 34419 1 587 . 1 1 58 58 LEU CG C 13 27.599 0.000 . . . . . . A 58 LEU CG . 34419 1 588 . 1 1 58 58 LEU CD1 C 13 26.426 0.000 . . . . . . A 58 LEU CD1 . 34419 1 589 . 1 1 58 58 LEU CD2 C 13 24.667 0.000 . . . . . . A 58 LEU CD2 . 34419 1 590 . 1 1 59 59 LYS H H 1 7.284 0.002 . . . . . . A 59 LYS H . 34419 1 591 . 1 1 59 59 LYS HA H 1 3.984 0.002 . . . . . . A 59 LYS HA . 34419 1 592 . 1 1 59 59 LYS HB2 H 1 1.595 0.003 . . . . . . A 59 LYS HB2 . 34419 1 593 . 1 1 59 59 LYS HB3 H 1 1.262 0.006 . . . . . . A 59 LYS HB3 . 34419 1 594 . 1 1 59 59 LYS HG2 H 1 1.062 0.002 . . . . . . A 59 LYS HG2 . 34419 1 595 . 1 1 59 59 LYS HG3 H 1 1.062 0.002 . . . . . . A 59 LYS HG3 . 34419 1 596 . 1 1 59 59 LYS HD2 H 1 0.824 0.001 . . . . . . A 59 LYS HD2 . 34419 1 597 . 1 1 59 59 LYS HD3 H 1 0.824 0.001 . . . . . . A 59 LYS HD3 . 34419 1 598 . 1 1 59 59 LYS HE2 H 1 2.549 0.001 . . . . . . A 59 LYS HE2 . 34419 1 599 . 1 1 59 59 LYS HE3 H 1 2.549 0.001 . . . . . . A 59 LYS HE3 . 34419 1 600 . 1 1 59 59 LYS CA C 13 58.685 0.000 . . . . . . A 59 LYS CA . 34419 1 601 . 1 1 59 59 LYS CB C 13 31.705 0.000 . . . . . . A 59 LYS CB . 34419 1 602 . 1 1 59 59 LYS CG C 13 23.494 0.000 . . . . . . A 59 LYS CG . 34419 1 603 . 1 1 59 59 LYS CD C 13 28.772 0.000 . . . . . . A 59 LYS CD . 34419 1 604 . 1 1 59 59 LYS CE C 13 41.090 0.000 . . . . . . A 59 LYS CE . 34419 1 605 . 1 1 60 60 GLY H H 1 9.082 0.001 . . . . . . A 60 GLY H . 34419 1 606 . 1 1 60 60 GLY HA2 H 1 4.069 0.001 . . . . . . A 60 GLY HA2 . 34419 1 607 . 1 1 60 60 GLY HA3 H 1 3.765 0.002 . . . . . . A 60 GLY HA3 . 34419 1 608 . 1 1 60 60 GLY CA C 13 45.782 0.000 . . . . . . A 60 GLY CA . 34419 1 609 . 1 1 61 61 LYS H H 1 8.324 0.000 . . . . . . A 61 LYS H . 34419 1 610 . 1 1 61 61 LYS HA H 1 4.450 0.002 . . . . . . A 61 LYS HA . 34419 1 611 . 1 1 61 61 LYS HB2 H 1 1.964 0.001 . . . . . . A 61 LYS HB2 . 34419 1 612 . 1 1 61 61 LYS HB3 H 1 1.456 0.000 . . . . . . A 61 LYS HB3 . 34419 1 613 . 1 1 61 61 LYS HG2 H 1 1.269 0.003 . . . . . . A 61 LYS HG2 . 34419 1 614 . 1 1 61 61 LYS HG3 H 1 1.149 0.002 . . . . . . A 61 LYS HG3 . 34419 1 615 . 1 1 61 61 LYS HD2 H 1 1.587 0.003 . . . . . . A 61 LYS HD2 . 34419 1 616 . 1 1 61 61 LYS HD3 H 1 1.587 0.003 . . . . . . A 61 LYS HD3 . 34419 1 617 . 1 1 61 61 LYS HE2 H 1 2.914 0.005 . . . . . . A 61 LYS HE2 . 34419 1 618 . 1 1 61 61 LYS HE3 H 1 2.914 0.005 . . . . . . A 61 LYS HE3 . 34419 1 619 . 1 1 61 61 LYS CA C 13 55.166 0.000 . . . . . . A 61 LYS CA . 34419 1 620 . 1 1 61 61 LYS CB C 13 33.465 0.000 . . . . . . A 61 LYS CB . 34419 1 621 . 1 1 61 61 LYS CG C 13 24.080 0.000 . . . . . . A 61 LYS CG . 34419 1 622 . 1 1 61 61 LYS CD C 13 28.186 0.000 . . . . . . A 61 LYS CD . 34419 1 623 . 1 1 61 61 LYS CE C 13 42.263 0.000 . . . . . . A 61 LYS CE . 34419 1 624 . 1 1 62 62 VAL H H 1 8.071 0.000 . . . . . . A 62 VAL H . 34419 1 625 . 1 1 62 62 VAL HA H 1 4.127 0.001 . . . . . . A 62 VAL HA . 34419 1 626 . 1 1 62 62 VAL HB H 1 2.038 0.002 . . . . . . A 62 VAL HB . 34419 1 627 . 1 1 62 62 VAL HG11 H 1 1.020 0.001 . . . . . . A 62 VAL HG11 . 34419 1 628 . 1 1 62 62 VAL HG12 H 1 1.020 0.001 . . . . . . A 62 VAL HG12 . 34419 1 629 . 1 1 62 62 VAL HG13 H 1 1.020 0.001 . . . . . . A 62 VAL HG13 . 34419 1 630 . 1 1 62 62 VAL HG21 H 1 0.795 0.001 . . . . . . A 62 VAL HG21 . 34419 1 631 . 1 1 62 62 VAL HG22 H 1 0.795 0.001 . . . . . . A 62 VAL HG22 . 34419 1 632 . 1 1 62 62 VAL HG23 H 1 0.795 0.001 . . . . . . A 62 VAL HG23 . 34419 1 633 . 1 1 62 62 VAL CA C 13 61.032 0.000 . . . . . . A 62 VAL CA . 34419 1 634 . 1 1 62 62 VAL CB C 13 32.292 0.000 . . . . . . A 62 VAL CB . 34419 1 635 . 1 1 62 62 VAL CG1 C 13 21.147 0.000 . . . . . . A 62 VAL CG1 . 34419 1 636 . 1 1 62 62 VAL CG2 C 13 21.147 0.000 . . . . . . A 62 VAL CG2 . 34419 1 637 . 1 1 63 63 PRO HA H 1 4.253 0.001 . . . . . . A 63 PRO HA . 34419 1 638 . 1 1 63 63 PRO HB2 H 1 2.226 0.002 . . . . . . A 63 PRO HB2 . 34419 1 639 . 1 1 63 63 PRO HB3 H 1 1.816 0.002 . . . . . . A 63 PRO HB3 . 34419 1 640 . 1 1 63 63 PRO HG2 H 1 1.951 0.002 . . . . . . A 63 PRO HG2 . 34419 1 641 . 1 1 63 63 PRO HG3 H 1 1.884 0.004 . . . . . . A 63 PRO HG3 . 34419 1 642 . 1 1 63 63 PRO HD2 H 1 3.918 0.001 . . . . . . A 63 PRO HD2 . 34419 1 643 . 1 1 63 63 PRO HD3 H 1 3.495 0.001 . . . . . . A 63 PRO HD3 . 34419 1 644 . 1 1 63 63 PRO CA C 13 62.791 0.000 . . . . . . A 63 PRO CA . 34419 1 645 . 1 1 63 63 PRO CB C 13 32.292 0.000 . . . . . . A 63 PRO CB . 34419 1 646 . 1 1 63 63 PRO CG C 13 27.599 0.000 . . . . . . A 63 PRO CG . 34419 1 647 . 1 1 63 63 PRO CD C 13 51.061 0.000 . . . . . . A 63 PRO CD . 34419 1 648 . 1 1 64 64 ALA H H 1 8.392 0.007 . . . . . . A 64 ALA H . 34419 1 649 . 1 1 64 64 ALA HA H 1 4.071 0.006 . . . . . . A 64 ALA HA . 34419 1 650 . 1 1 64 64 ALA HB1 H 1 1.308 0.002 . . . . . . A 64 ALA HB1 . 34419 1 651 . 1 1 64 64 ALA HB2 H 1 1.308 0.002 . . . . . . A 64 ALA HB2 . 34419 1 652 . 1 1 64 64 ALA HB3 H 1 1.308 0.002 . . . . . . A 64 ALA HB3 . 34419 1 653 . 1 1 64 64 ALA CA C 13 53.993 0.000 . . . . . . A 64 ALA CA . 34419 1 654 . 1 1 64 64 ALA CB C 13 17.628 0.000 . . . . . . A 64 ALA CB . 34419 1 655 . 1 1 65 65 GLY H H 1 8.645 0.000 . . . . . . A 65 GLY H . 34419 1 656 . 1 1 65 65 GLY HA2 H 1 4.092 0.003 . . . . . . A 65 GLY HA2 . 34419 1 657 . 1 1 65 65 GLY HA3 H 1 3.703 0.001 . . . . . . A 65 GLY HA3 . 34419 1 658 . 1 1 65 65 GLY CA C 13 45.195 0.000 . . . . . . A 65 GLY CA . 34419 1 659 . 1 1 66 66 SER H H 1 7.770 0.011 . . . . . . A 66 SER H . 34419 1 660 . 1 1 66 66 SER HA H 1 4.551 0.002 . . . . . . A 66 SER HA . 34419 1 661 . 1 1 66 66 SER HB2 H 1 3.664 0.004 . . . . . . A 66 SER HB2 . 34419 1 662 . 1 1 66 66 SER HB3 H 1 3.664 0.004 . . . . . . A 66 SER HB3 . 34419 1 663 . 1 1 66 66 SER CA C 13 57.512 0.000 . . . . . . A 66 SER CA . 34419 1 664 . 1 1 66 66 SER CB C 13 63.964 0.000 . . . . . . A 66 SER CB . 34419 1 665 . 1 1 67 67 ASP H H 1 8.746 0.003 . . . . . . A 67 ASP H . 34419 1 666 . 1 1 67 67 ASP HA H 1 4.616 0.003 . . . . . . A 67 ASP HA . 34419 1 667 . 1 1 67 67 ASP HB2 H 1 2.638 0.004 . . . . . . A 67 ASP HB2 . 34419 1 668 . 1 1 67 67 ASP HB3 H 1 2.569 0.004 . . . . . . A 67 ASP HB3 . 34419 1 669 . 1 1 67 67 ASP CA C 13 53.407 0.000 . . . . . . A 67 ASP CA . 34419 1 670 . 1 1 67 67 ASP CB C 13 42.263 0.000 . . . . . . A 67 ASP CB . 34419 1 671 . 1 1 68 68 VAL H H 1 8.401 0.008 . . . . . . A 68 VAL H . 34419 1 672 . 1 1 68 68 VAL HA H 1 3.075 0.002 . . . . . . A 68 VAL HA . 34419 1 673 . 1 1 68 68 VAL HB H 1 1.572 0.002 . . . . . . A 68 VAL HB . 34419 1 674 . 1 1 68 68 VAL HG11 H 1 0.796 0.003 . . . . . . A 68 VAL HG11 . 34419 1 675 . 1 1 68 68 VAL HG12 H 1 0.796 0.003 . . . . . . A 68 VAL HG12 . 34419 1 676 . 1 1 68 68 VAL HG13 H 1 0.796 0.003 . . . . . . A 68 VAL HG13 . 34419 1 677 . 1 1 68 68 VAL HG21 H 1 0.132 0.003 . . . . . . A 68 VAL HG21 . 34419 1 678 . 1 1 68 68 VAL HG22 H 1 0.132 0.003 . . . . . . A 68 VAL HG22 . 34419 1 679 . 1 1 68 68 VAL HG23 H 1 0.132 0.003 . . . . . . A 68 VAL HG23 . 34419 1 680 . 1 1 68 68 VAL CA C 13 66.897 0.000 . . . . . . A 68 VAL CA . 34419 1 681 . 1 1 68 68 VAL CB C 13 31.705 0.000 . . . . . . A 68 VAL CB . 34419 1 682 . 1 1 68 68 VAL CG1 C 13 22.907 0.000 . . . . . . A 68 VAL CG1 . 34419 1 683 . 1 1 68 68 VAL CG2 C 13 19.974 0.000 . . . . . . A 68 VAL CG2 . 34419 1 684 . 1 1 69 69 ILE HA H 1 3.454 0.003 . . . . . . A 69 ILE HA . 34419 1 685 . 1 1 69 69 ILE HB H 1 1.999 0.001 . . . . . . A 69 ILE HB . 34419 1 686 . 1 1 69 69 ILE HG12 H 1 1.363 0.003 . . . . . . A 69 ILE HG12 . 34419 1 687 . 1 1 69 69 ILE HG13 H 1 1.297 0.001 . . . . . . A 69 ILE HG13 . 34419 1 688 . 1 1 69 69 ILE HG21 H 1 0.789 0.001 . . . . . . A 69 ILE HG21 . 34419 1 689 . 1 1 69 69 ILE HG22 H 1 0.789 0.001 . . . . . . A 69 ILE HG22 . 34419 1 690 . 1 1 69 69 ILE HG23 H 1 0.789 0.001 . . . . . . A 69 ILE HG23 . 34419 1 691 . 1 1 69 69 ILE HD11 H 1 0.602 0.002 . . . . . . A 69 ILE HD11 . 34419 1 692 . 1 1 69 69 ILE HD12 H 1 0.602 0.002 . . . . . . A 69 ILE HD12 . 34419 1 693 . 1 1 69 69 ILE HD13 H 1 0.602 0.002 . . . . . . A 69 ILE HD13 . 34419 1 694 . 1 1 69 69 ILE CA C 13 62.791 0.000 . . . . . . A 69 ILE CA . 34419 1 695 . 1 1 69 69 ILE CB C 13 35.224 0.000 . . . . . . A 69 ILE CB . 34419 1 696 . 1 1 69 69 ILE CG1 C 13 27.599 0.000 . . . . . . A 69 ILE CG1 . 34419 1 697 . 1 1 69 69 ILE CG2 C 13 18.215 0.000 . . . . . . A 69 ILE CG2 . 34419 1 698 . 1 1 69 69 ILE CD1 C 13 10.590 0.000 . . . . . . A 69 ILE CD1 . 34419 1 699 . 1 1 70 70 SER H H 1 7.924 0.000 . . . . . . A 70 SER H . 34419 1 700 . 1 1 70 70 SER HA H 1 4.098 0.002 . . . . . . A 70 SER HA . 34419 1 701 . 1 1 70 70 SER HB2 H 1 4.014 0.002 . . . . . . A 70 SER HB2 . 34419 1 702 . 1 1 70 70 SER HB3 H 1 3.844 0.001 . . . . . . A 70 SER HB3 . 34419 1 703 . 1 1 70 70 SER CA C 13 62.200 0.000 . . . . . . A 70 SER CA . 34419 1 704 . 1 1 70 70 SER CB C 13 62.200 0.000 . . . . . . A 70 SER CB . 34419 1 705 . 1 1 71 71 GLU H H 1 7.808 0.012 . . . . . . A 71 GLU H . 34419 1 706 . 1 1 71 71 GLU HA H 1 4.095 0.004 . . . . . . A 71 GLU HA . 34419 1 707 . 1 1 71 71 GLU HB2 H 1 2.194 0.006 . . . . . . A 71 GLU HB2 . 34419 1 708 . 1 1 71 71 GLU HB3 H 1 2.083 0.002 . . . . . . A 71 GLU HB3 . 34419 1 709 . 1 1 71 71 GLU HG2 H 1 2.439 0.003 . . . . . . A 71 GLU HG2 . 34419 1 710 . 1 1 71 71 GLU HG3 H 1 2.235 0.000 . . . . . . A 71 GLU HG3 . 34419 1 711 . 1 1 71 71 GLU CA C 13 58.685 0.000 . . . . . . A 71 GLU CA . 34419 1 712 . 1 1 71 71 GLU CB C 13 28.186 0.000 . . . . . . A 71 GLU CB . 34419 1 713 . 1 1 71 71 GLU CG C 13 35.811 0.000 . . . . . . A 71 GLU CG . 34419 1 714 . 1 1 72 72 TYR H H 1 8.772 0.005 . . . . . . A 72 TYR H . 34419 1 715 . 1 1 72 72 TYR HA H 1 4.280 0.005 . . . . . . A 72 TYR HA . 34419 1 716 . 1 1 72 72 TYR HB2 H 1 3.638 0.004 . . . . . . A 72 TYR HB2 . 34419 1 717 . 1 1 72 72 TYR HB3 H 1 3.272 0.004 . . . . . . A 72 TYR HB3 . 34419 1 718 . 1 1 72 72 TYR HD1 H 1 6.892 0.003 . . . . . . A 72 TYR HD1 . 34419 1 719 . 1 1 72 72 TYR HD2 H 1 6.892 0.003 . . . . . . A 72 TYR HD2 . 34419 1 720 . 1 1 72 72 TYR HE1 H 1 6.540 0.002 . . . . . . A 72 TYR HE1 . 34419 1 721 . 1 1 72 72 TYR HE2 H 1 6.540 0.002 . . . . . . A 72 TYR HE2 . 34419 1 722 . 1 1 72 72 TYR CA C 13 58.099 0.000 . . . . . . A 72 TYR CA . 34419 1 723 . 1 1 72 72 TYR CB C 13 35.811 0.000 . . . . . . A 72 TYR CB . 34419 1 724 . 1 1 72 72 TYR CD1 C 13 131.7 0.000 . . . . . . A 72 TYR CD1 . 34419 1 725 . 1 1 72 72 TYR CE1 C 13 117.3 0.000 . . . . . . A 72 TYR CE1 . 34419 1 726 . 1 1 73 73 VAL H H 1 8.963 0.004 . . . . . . A 73 VAL H . 34419 1 727 . 1 1 73 73 VAL HA H 1 3.753 0.001 . . . . . . A 73 VAL HA . 34419 1 728 . 1 1 73 73 VAL HB H 1 2.273 0.003 . . . . . . A 73 VAL HB . 34419 1 729 . 1 1 73 73 VAL HG11 H 1 1.226 0.002 . . . . . . A 73 VAL HG11 . 34419 1 730 . 1 1 73 73 VAL HG12 H 1 1.226 0.002 . . . . . . A 73 VAL HG12 . 34419 1 731 . 1 1 73 73 VAL HG13 H 1 1.226 0.002 . . . . . . A 73 VAL HG13 . 34419 1 732 . 1 1 73 73 VAL HG21 H 1 1.027 0.003 . . . . . . A 73 VAL HG21 . 34419 1 733 . 1 1 73 73 VAL HG22 H 1 1.027 0.003 . . . . . . A 73 VAL HG22 . 34419 1 734 . 1 1 73 73 VAL HG23 H 1 1.027 0.003 . . . . . . A 73 VAL HG23 . 34419 1 735 . 1 1 73 73 VAL CA C 13 66.897 0.000 . . . . . . A 73 VAL CA . 34419 1 736 . 1 1 73 73 VAL CB C 13 31.705 0.000 . . . . . . A 73 VAL CB . 34419 1 737 . 1 1 73 73 VAL CG1 C 13 22.907 0.000 . . . . . . A 73 VAL CG1 . 34419 1 738 . 1 1 73 73 VAL CG2 C 13 21.734 0.000 . . . . . . A 73 VAL CG2 . 34419 1 739 . 1 1 74 74 LYS H H 1 7.770 0.006 . . . . . . A 74 LYS H . 34419 1 740 . 1 1 74 74 LYS HA H 1 4.028 0.007 . . . . . . A 74 LYS HA . 34419 1 741 . 1 1 74 74 LYS HB2 H 1 1.880 0.007 . . . . . . A 74 LYS HB2 . 34419 1 742 . 1 1 74 74 LYS HB3 H 1 1.880 0.007 . . . . . . A 74 LYS HB3 . 34419 1 743 . 1 1 74 74 LYS HG2 H 1 1.404 0.002 . . . . . . A 74 LYS HG2 . 34419 1 744 . 1 1 74 74 LYS HG3 H 1 1.404 0.002 . . . . . . A 74 LYS HG3 . 34419 1 745 . 1 1 74 74 LYS HD2 H 1 1.660 0.007 . . . . . . A 74 LYS HD2 . 34419 1 746 . 1 1 74 74 LYS HD3 H 1 1.660 0.007 . . . . . . A 74 LYS HD3 . 34419 1 747 . 1 1 74 74 LYS HE2 H 1 2.874 0.002 . . . . . . A 74 LYS HE2 . 34419 1 748 . 1 1 74 74 LYS HE3 H 1 2.874 0.002 . . . . . . A 74 LYS HE3 . 34419 1 749 . 1 1 74 74 LYS CA C 13 59.859 0.000 . . . . . . A 74 LYS CA . 34419 1 750 . 1 1 74 74 LYS CB C 13 32.292 0.000 . . . . . . A 74 LYS CB . 34419 1 751 . 1 1 74 74 LYS CG C 13 25.253 0.000 . . . . . . A 74 LYS CG . 34419 1 752 . 1 1 74 74 LYS CD C 13 29.359 0.000 . . . . . . A 74 LYS CD . 34419 1 753 . 1 1 74 74 LYS CE C 13 42.263 0.000 . . . . . . A 74 LYS CE . 34419 1 754 . 1 1 75 75 ALA H H 1 7.921 0.002 . . . . . . A 75 ALA H . 34419 1 755 . 1 1 75 75 ALA HA H 1 4.083 0.005 . . . . . . A 75 ALA HA . 34419 1 756 . 1 1 75 75 ALA HB1 H 1 1.425 0.003 . . . . . . A 75 ALA HB1 . 34419 1 757 . 1 1 75 75 ALA HB2 H 1 1.425 0.003 . . . . . . A 75 ALA HB2 . 34419 1 758 . 1 1 75 75 ALA HB3 H 1 1.425 0.003 . . . . . . A 75 ALA HB3 . 34419 1 759 . 1 1 75 75 ALA CA C 13 54.580 0.000 . . . . . . A 75 ALA CA . 34419 1 760 . 1 1 75 75 ALA CB C 13 18.215 0.000 . . . . . . A 75 ALA CB . 34419 1 761 . 1 1 76 76 CYS H H 1 7.425 0.006 . . . . . . A 76 CYS H . 34419 1 762 . 1 1 76 76 CYS HA H 1 4.160 0.003 . . . . . . A 76 CYS HA . 34419 1 763 . 1 1 76 76 CYS HB2 H 1 2.880 0.004 . . . . . . A 76 CYS HB2 . 34419 1 764 . 1 1 76 76 CYS HB3 H 1 2.573 0.002 . . . . . . A 76 CYS HB3 . 34419 1 765 . 1 1 76 76 CYS CA C 13 60.445 0.000 . . . . . . A 76 CYS CA . 34419 1 766 . 1 1 76 76 CYS CB C 13 28.186 0.000 . . . . . . A 76 CYS CB . 34419 1 767 . 1 1 77 77 ASP H H 1 7.565 0.006 . . . . . . A 77 ASP H . 34419 1 768 . 1 1 77 77 ASP HA H 1 4.453 0.002 . . . . . . A 77 ASP HA . 34419 1 769 . 1 1 77 77 ASP HB2 H 1 2.798 0.002 . . . . . . A 77 ASP HB2 . 34419 1 770 . 1 1 77 77 ASP HB3 H 1 2.648 0.002 . . . . . . A 77 ASP HB3 . 34419 1 771 . 1 1 77 77 ASP CA C 13 56.926 0.000 . . . . . . A 77 ASP CA . 34419 1 772 . 1 1 77 77 ASP CB C 13 41.676 0.000 . . . . . . A 77 ASP CB . 34419 1 773 . 1 1 78 78 GLY H H 1 8.376 0.005 . . . . . . A 78 GLY H . 34419 1 774 . 1 1 78 78 GLY HA2 H 1 3.960 0.004 . . . . . . A 78 GLY HA2 . 34419 1 775 . 1 1 78 78 GLY HA3 H 1 3.839 0.002 . . . . . . A 78 GLY HA3 . 34419 1 776 . 1 1 78 78 GLY CA C 13 45.782 0.000 . . . . . . A 78 GLY CA . 34419 1 777 . 1 1 79 79 ILE H H 1 7.603 0.002 . . . . . . A 79 ILE H . 34419 1 778 . 1 1 79 79 ILE HA H 1 3.886 0.002 . . . . . . A 79 ILE HA . 34419 1 779 . 1 1 79 79 ILE HB H 1 1.866 0.001 . . . . . . A 79 ILE HB . 34419 1 780 . 1 1 79 79 ILE HG12 H 1 1.400 0.006 . . . . . . A 79 ILE HG12 . 34419 1 781 . 1 1 79 79 ILE HG13 H 1 1.023 0.002 . . . . . . A 79 ILE HG13 . 34419 1 782 . 1 1 79 79 ILE HG21 H 1 0.803 0.002 . . . . . . A 79 ILE HG21 . 34419 1 783 . 1 1 79 79 ILE HG22 H 1 0.803 0.002 . . . . . . A 79 ILE HG22 . 34419 1 784 . 1 1 79 79 ILE HG23 H 1 0.803 0.002 . . . . . . A 79 ILE HG23 . 34419 1 785 . 1 1 79 79 ILE HD11 H 1 0.787 0.001 . . . . . . A 79 ILE HD11 . 34419 1 786 . 1 1 79 79 ILE HD12 H 1 0.787 0.001 . . . . . . A 79 ILE HD12 . 34419 1 787 . 1 1 79 79 ILE HD13 H 1 0.787 0.001 . . . . . . A 79 ILE HD13 . 34419 1 788 . 1 1 79 79 ILE CA C 13 62.791 0.000 . . . . . . A 79 ILE CA . 34419 1 789 . 1 1 79 79 ILE CB C 13 37.570 0.000 . . . . . . A 79 ILE CB . 34419 1 790 . 1 1 79 79 ILE CG1 C 13 28.186 0.000 . . . . . . A 79 ILE CG1 . 34419 1 791 . 1 1 79 79 ILE CG2 C 13 17.628 0.000 . . . . . . A 79 ILE CG2 . 34419 1 792 . 1 1 79 79 ILE CD1 C 13 14.109 0.000 . . . . . . A 79 ILE CD1 . 34419 1 793 . 1 1 80 80 GLY H H 1 8.660 0.003 . . . . . . A 80 GLY H . 34419 1 794 . 1 1 80 80 GLY HA2 H 1 4.007 0.001 . . . . . . A 80 GLY HA2 . 34419 1 795 . 1 1 80 80 GLY HA3 H 1 3.785 0.002 . . . . . . A 80 GLY HA3 . 34419 1 796 . 1 1 80 80 GLY CA C 13 45.195 0.000 . . . . . . A 80 GLY CA . 34419 1 797 . 1 1 81 81 GLY H H 1 8.091 0.000 . . . . . . A 81 GLY H . 34419 1 798 . 1 1 81 81 GLY HA2 H 1 3.943 0.002 . . . . . . A 81 GLY HA2 . 34419 1 799 . 1 1 81 81 GLY HA3 H 1 3.943 0.002 . . . . . . A 81 GLY HA3 . 34419 1 800 . 1 1 81 81 GLY CA C 13 45.195 0.000 . . . . . . A 81 GLY CA . 34419 1 801 . 1 1 82 82 ALA HA H 1 4.205 0.001 . . . . . . A 82 ALA HA . 34419 1 802 . 1 1 82 82 ALA HB1 H 1 1.349 0.008 . . . . . . A 82 ALA HB1 . 34419 1 803 . 1 1 82 82 ALA HB2 H 1 1.349 0.008 . . . . . . A 82 ALA HB2 . 34419 1 804 . 1 1 82 82 ALA HB3 H 1 1.349 0.008 . . . . . . A 82 ALA HB3 . 34419 1 805 . 1 1 82 82 ALA CA C 13 53.407 0.000 . . . . . . A 82 ALA CA . 34419 1 806 . 1 1 82 82 ALA CB C 13 18.801 0.000 . . . . . . A 82 ALA CB . 34419 1 807 . 1 1 83 83 MET H H 1 8.327 0.005 . . . . . . A 83 MET H . 34419 1 808 . 1 1 83 83 MET HA H 1 4.319 0.002 . . . . . . A 83 MET HA . 34419 1 809 . 1 1 83 83 MET HB2 H 1 1.974 0.001 . . . . . . A 83 MET HB2 . 34419 1 810 . 1 1 83 83 MET HB3 H 1 1.974 0.001 . . . . . . A 83 MET HB3 . 34419 1 811 . 1 1 83 83 MET HG2 H 1 2.516 0.001 . . . . . . A 83 MET HG2 . 34419 1 812 . 1 1 83 83 MET HG3 H 1 2.435 0.001 . . . . . . A 83 MET HG3 . 34419 1 813 . 1 1 83 83 MET CA C 13 56.339 0.000 . . . . . . A 83 MET CA . 34419 1 814 . 1 1 83 83 MET CB C 13 32.292 0.000 . . . . . . A 83 MET CB . 34419 1 815 . 1 1 83 83 MET CG C 13 32.292 0.000 . . . . . . A 83 MET CG . 34419 1 816 . 1 1 84 84 HIS H H 1 8.117 0.000 . . . . . . A 84 HIS H . 34419 1 817 . 1 1 84 84 HIS HA H 1 4.446 0.004 . . . . . . A 84 HIS HA . 34419 1 818 . 1 1 84 84 HIS HB2 H 1 3.062 0.002 . . . . . . A 84 HIS HB2 . 34419 1 819 . 1 1 84 84 HIS HB3 H 1 3.062 0.002 . . . . . . A 84 HIS HB3 . 34419 1 820 . 1 1 84 84 HIS HD2 H 1 6.959 0.003 . . . . . . A 84 HIS HD2 . 34419 1 821 . 1 1 84 84 HIS HE1 H 1 7.734 0.003 . . . . . . A 84 HIS HE1 . 34419 1 822 . 1 1 84 84 HIS CA C 13 57.512 0.000 . . . . . . A 84 HIS CA . 34419 1 823 . 1 1 84 84 HIS CB C 13 30.532 0.000 . . . . . . A 84 HIS CB . 34419 1 824 . 1 1 84 84 HIS CD2 C 13 120.6 0.000 . . . . . . A 84 HIS CD2 . 34419 1 825 . 1 1 84 84 HIS CE1 C 13 138.3 0.000 . . . . . . A 84 HIS CE1 . 34419 1 826 . 1 1 85 85 LYS H H 1 8.183 0.000 . . . . . . A 85 LYS H . 34419 1 827 . 1 1 85 85 LYS HA H 1 4.055 0.001 . . . . . . A 85 LYS HA . 34419 1 828 . 1 1 85 85 LYS HB2 H 1 1.738 0.004 . . . . . . A 85 LYS HB2 . 34419 1 829 . 1 1 85 85 LYS HB3 H 1 1.738 0.004 . . . . . . A 85 LYS HB3 . 34419 1 830 . 1 1 85 85 LYS HG2 H 1 1.368 0.005 . . . . . . A 85 LYS HG2 . 34419 1 831 . 1 1 85 85 LYS HG3 H 1 1.368 0.005 . . . . . . A 85 LYS HG3 . 34419 1 832 . 1 1 85 85 LYS HD2 H 1 1.599 0.001 . . . . . . A 85 LYS HD2 . 34419 1 833 . 1 1 85 85 LYS HD3 H 1 1.599 0.001 . . . . . . A 85 LYS HD3 . 34419 1 834 . 1 1 85 85 LYS HE2 H 1 2.908 0.003 . . . . . . A 85 LYS HE2 . 34419 1 835 . 1 1 85 85 LYS HE3 H 1 2.908 0.003 . . . . . . A 85 LYS HE3 . 34419 1 836 . 1 1 85 85 LYS CA C 13 57.512 0.000 . . . . . . A 85 LYS CA . 34419 1 837 . 1 1 85 85 LYS CB C 13 32.878 0.000 . . . . . . A 85 LYS CB . 34419 1 838 . 1 1 85 85 LYS CG C 13 25.253 0.000 . . . . . . A 85 LYS CG . 34419 1 839 . 1 1 85 85 LYS CD C 13 29.359 0.000 . . . . . . A 85 LYS CD . 34419 1 840 . 1 1 85 85 LYS CE C 13 42.263 0.000 . . . . . . A 85 LYS CE . 34419 1 841 . 1 1 86 86 ALA H H 1 8.201 0.002 . . . . . . A 86 ALA H . 34419 1 842 . 1 1 86 86 ALA HA H 1 4.150 0.002 . . . . . . A 86 ALA HA . 34419 1 843 . 1 1 86 86 ALA HB1 H 1 1.363 0.003 . . . . . . A 86 ALA HB1 . 34419 1 844 . 1 1 86 86 ALA HB2 H 1 1.363 0.003 . . . . . . A 86 ALA HB2 . 34419 1 845 . 1 1 86 86 ALA HB3 H 1 1.363 0.003 . . . . . . A 86 ALA HB3 . 34419 1 846 . 1 1 86 86 ALA CA C 13 53.407 0.000 . . . . . . A 86 ALA CA . 34419 1 847 . 1 1 86 86 ALA CB C 13 18.801 0.000 . . . . . . A 86 ALA CB . 34419 1 848 . 1 1 87 87 MET H H 1 8.115 0.003 . . . . . . A 87 MET H . 34419 1 849 . 1 1 87 87 MET HA H 1 4.283 0.002 . . . . . . A 87 MET HA . 34419 1 850 . 1 1 87 87 MET HB2 H 1 2.024 0.008 . . . . . . A 87 MET HB2 . 34419 1 851 . 1 1 87 87 MET HB3 H 1 2.024 0.008 . . . . . . A 87 MET HB3 . 34419 1 852 . 1 1 87 87 MET HG2 H 1 2.575 0.002 . . . . . . A 87 MET HG2 . 34419 1 853 . 1 1 87 87 MET HG3 H 1 2.491 0.004 . . . . . . A 87 MET HG3 . 34419 1 854 . 1 1 87 87 MET CA C 13 56.339 0.000 . . . . . . A 87 MET CA . 34419 1 855 . 1 1 87 87 MET CB C 13 32.878 0.000 . . . . . . A 87 MET CB . 34419 1 856 . 1 1 87 87 MET CG C 13 32.292 0.000 . . . . . . A 87 MET CG . 34419 1 857 . 1 1 88 88 LEU H H 1 7.990 0.003 . . . . . . A 88 LEU H . 34419 1 858 . 1 1 88 88 LEU HA H 1 4.166 0.003 . . . . . . A 88 LEU HA . 34419 1 859 . 1 1 88 88 LEU HB2 H 1 1.607 0.001 . . . . . . A 88 LEU HB2 . 34419 1 860 . 1 1 88 88 LEU HB3 H 1 1.505 0.004 . . . . . . A 88 LEU HB3 . 34419 1 861 . 1 1 88 88 LEU HG H 1 1.516 0.002 . . . . . . A 88 LEU HG . 34419 1 862 . 1 1 88 88 LEU HD11 H 1 0.812 0.003 . . . . . . A 88 LEU HD11 . 34419 1 863 . 1 1 88 88 LEU HD12 H 1 0.812 0.003 . . . . . . A 88 LEU HD12 . 34419 1 864 . 1 1 88 88 LEU HD13 H 1 0.812 0.003 . . . . . . A 88 LEU HD13 . 34419 1 865 . 1 1 88 88 LEU HD21 H 1 0.773 0.001 . . . . . . A 88 LEU HD21 . 34419 1 866 . 1 1 88 88 LEU HD22 H 1 0.773 0.001 . . . . . . A 88 LEU HD22 . 34419 1 867 . 1 1 88 88 LEU HD23 H 1 0.773 0.001 . . . . . . A 88 LEU HD23 . 34419 1 868 . 1 1 88 88 LEU CA C 13 56.339 0.000 . . . . . . A 88 LEU CA . 34419 1 869 . 1 1 88 88 LEU CB C 13 42.263 0.000 . . . . . . A 88 LEU CB . 34419 1 870 . 1 1 88 88 LEU CG C 13 27.013 0.000 . . . . . . A 88 LEU CG . 34419 1 871 . 1 1 88 88 LEU CD1 C 13 24.667 0.000 . . . . . . A 88 LEU CD1 . 34419 1 872 . 1 1 88 88 LEU CD2 C 13 23.494 0.000 . . . . . . A 88 LEU CD2 . 34419 1 873 . 1 1 89 89 MET H H 1 8.103 0.002 . . . . . . A 89 MET H . 34419 1 874 . 1 1 89 89 MET HA H 1 4.320 0.000 . . . . . . A 89 MET HA . 34419 1 875 . 1 1 89 89 MET HB2 H 1 1.979 0.004 . . . . . . A 89 MET HB2 . 34419 1 876 . 1 1 89 89 MET HB3 H 1 1.979 0.004 . . . . . . A 89 MET HB3 . 34419 1 877 . 1 1 89 89 MET CB C 13 32.878 0.000 . . . . . . A 89 MET CB . 34419 1 878 . 1 1 90 90 ALA H H 1 7.991 0.010 . . . . . . A 90 ALA H . 34419 1 879 . 1 1 90 90 ALA HA H 1 4.184 0.002 . . . . . . A 90 ALA HA . 34419 1 880 . 1 1 90 90 ALA HB1 H 1 1.353 0.004 . . . . . . A 90 ALA HB1 . 34419 1 881 . 1 1 90 90 ALA HB2 H 1 1.353 0.004 . . . . . . A 90 ALA HB2 . 34419 1 882 . 1 1 90 90 ALA HB3 H 1 1.353 0.004 . . . . . . A 90 ALA HB3 . 34419 1 883 . 1 1 90 90 ALA CA C 13 53.407 0.000 . . . . . . A 90 ALA CA . 34419 1 884 . 1 1 90 90 ALA CB C 13 18.801 0.000 . . . . . . A 90 ALA CB . 34419 1 885 . 1 1 91 91 GLN H H 1 8.021 0.001 . . . . . . A 91 GLN H . 34419 1 886 . 1 1 91 91 GLN HA H 1 4.181 0.003 . . . . . . A 91 GLN HA . 34419 1 887 . 1 1 91 91 GLN HB2 H 1 2.045 0.003 . . . . . . A 91 GLN HB2 . 34419 1 888 . 1 1 91 91 GLN HB3 H 1 1.973 0.002 . . . . . . A 91 GLN HB3 . 34419 1 889 . 1 1 91 91 GLN HG2 H 1 2.341 0.002 . . . . . . A 91 GLN HG2 . 34419 1 890 . 1 1 91 91 GLN HG3 H 1 2.303 0.002 . . . . . . A 91 GLN HG3 . 34419 1 891 . 1 1 91 91 GLN HE21 H 1 7.426 0.000 . . . . . . A 91 GLN HE21 . 34419 1 892 . 1 1 91 91 GLN HE22 H 1 6.796 0.000 . . . . . . A 91 GLN HE22 . 34419 1 893 . 1 1 91 91 GLN CA C 13 56.339 0.000 . . . . . . A 91 GLN CA . 34419 1 894 . 1 1 91 91 GLN CB C 13 29.359 0.000 . . . . . . A 91 GLN CB . 34419 1 895 . 1 1 91 91 GLN CG C 13 34.051 0.000 . . . . . . A 91 GLN CG . 34419 1 896 . 1 1 92 92 LEU H H 1 7.981 0.006 . . . . . . A 92 LEU H . 34419 1 897 . 1 1 92 92 LEU HA H 1 4.254 0.048 . . . . . . A 92 LEU HA . 34419 1 898 . 1 1 92 92 LEU HB2 H 1 1.583 0.001 . . . . . . A 92 LEU HB2 . 34419 1 899 . 1 1 92 92 LEU HB3 H 1 1.454 0.001 . . . . . . A 92 LEU HB3 . 34419 1 900 . 1 1 92 92 LEU HG H 1 1.568 0.001 . . . . . . A 92 LEU HG . 34419 1 901 . 1 1 92 92 LEU CA C 13 56.339 0.000 . . . . . . A 92 LEU CA . 34419 1 902 . 1 1 92 92 LEU CB C 13 42.263 0.000 . . . . . . A 92 LEU CB . 34419 1 903 . 1 1 92 92 LEU CG C 13 27.013 0.000 . . . . . . A 92 LEU CG . 34419 1 904 . 1 1 93 93 GLU H H 1 8.133 0.002 . . . . . . A 93 GLU H . 34419 1 905 . 1 1 93 93 GLU HA H 1 4.094 0.004 . . . . . . A 93 GLU HA . 34419 1 906 . 1 1 93 93 GLU HB2 H 1 1.836 0.007 . . . . . . A 93 GLU HB2 . 34419 1 907 . 1 1 93 93 GLU HB3 H 1 1.836 0.007 . . . . . . A 93 GLU HB3 . 34419 1 908 . 1 1 93 93 GLU HG2 H 1 2.149 0.003 . . . . . . A 93 GLU HG2 . 34419 1 909 . 1 1 93 93 GLU HG3 H 1 2.057 0.001 . . . . . . A 93 GLU HG3 . 34419 1 910 . 1 1 93 93 GLU CA C 13 56.926 0.000 . . . . . . A 93 GLU CA . 34419 1 911 . 1 1 93 93 GLU CB C 13 30.532 0.000 . . . . . . A 93 GLU CB . 34419 1 912 . 1 1 93 93 GLU CG C 13 35.811 0.000 . . . . . . A 93 GLU CG . 34419 1 stop_ save_