data_7179 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7179 _Entry.Title ; Dispersin Solution Structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-21 _Entry.Accession_date 2006-07-14 _Entry.Last_release_date 2006-07-14 _Entry.Original_release_date 2006-07-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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_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 J. Velarde . J. . . 7179 2 K. Varney . M. . . 7179 3 K. Inman . G. . . 7179 4 D. Weber . J. . . 7179 5 J. Nataro . P. . . 7179 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7179 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 380 7179 '15N chemical shifts' 96 7179 '1H chemical shifts' 539 7179 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 2 . . 2007-11-21 . original author 'original release' 7179 1 . . 2008-07-16 . update BMRB 'update entry citation' 7179 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7179 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17986189 _Citation.Full_citation . _Citation.Title ; Solution structure of the novel dispersin protein of enteroaggregative Escherichia coli. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Microbiol.' _Citation.Journal_name_full . _Citation.Journal_volume 66 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1123 _Citation.Page_last 1135 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Velarde . J. . . 7179 1 2 K. Varney . M. . . 7179 1 3 M. Farfan . . . . 7179 1 4 E. Dudley . . . . 7179 1 5 K. Inman . G. . . 7179 1 6 J. Fletcher . . . . 7179 1 7 D. Weber . J. . . 7179 1 8 J. Nataro . P. . . 7179 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Beta sandwich' 7179 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system _Assembly.Sf_category assembly _Assembly.Sf_framecode system _Assembly.Entry_ID 7179 _Assembly.ID 1 _Assembly.Name 'Dispersin, Aap' _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 'all disulfide bond' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 7179 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Dispersin, Aap' 1 $Aap . . . native . . . . . 7179 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 15 15 SG . 1 . 1 CYS 32 32 SG . . . . . . . . . . . . 7179 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2H7U . . . . . . 7179 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Dispersin, Aap' abbreviation 7179 1 'Dispersin, Aap' system 7179 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Aap _Entity.Sf_category entity _Entity.Sf_framecode Aap _Entity.Entry_ID 7179 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Dispersin, Aap' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGSGWNADNVDPSQCIKQSG VQYTYNSGVSVCMQGLNEGK VRGVSVSGVFYYNDGTTSNF KGVVTPSTPVNTNQDINKTN KVGVQKYRALTEWVGSRSHH HHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bond' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JVU . 'Solution Structure Of Dispersin From Enteroaggregative Escherichia Coli' . . . . . 100.00 104 100.00 100.00 6.29e-54 . . . . 7179 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Dispersin, Aap' abbreviation 7179 1 'Dispersin, Aap' common 7179 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 7179 1 2 . GLY . 7179 1 3 . SER . 7179 1 4 . GLY . 7179 1 5 . TRP . 7179 1 6 . ASN . 7179 1 7 . ALA . 7179 1 8 . ASP . 7179 1 9 . ASN . 7179 1 10 . VAL . 7179 1 11 . ASP . 7179 1 12 . PRO . 7179 1 13 . SER . 7179 1 14 . GLN . 7179 1 15 . CYS . 7179 1 16 . ILE . 7179 1 17 . LYS . 7179 1 18 . GLN . 7179 1 19 . SER . 7179 1 20 . GLY . 7179 1 21 . VAL . 7179 1 22 . GLN . 7179 1 23 . TYR . 7179 1 24 . THR . 7179 1 25 . TYR . 7179 1 26 . ASN . 7179 1 27 . SER . 7179 1 28 . GLY . 7179 1 29 . VAL . 7179 1 30 . SER . 7179 1 31 . VAL . 7179 1 32 . CYS . 7179 1 33 . MET . 7179 1 34 . GLN . 7179 1 35 . GLY . 7179 1 36 . LEU . 7179 1 37 . ASN . 7179 1 38 . GLU . 7179 1 39 . GLY . 7179 1 40 . LYS . 7179 1 41 . VAL . 7179 1 42 . ARG . 7179 1 43 . GLY . 7179 1 44 . VAL . 7179 1 45 . SER . 7179 1 46 . VAL . 7179 1 47 . SER . 7179 1 48 . GLY . 7179 1 49 . VAL . 7179 1 50 . PHE . 7179 1 51 . TYR . 7179 1 52 . TYR . 7179 1 53 . ASN . 7179 1 54 . ASP . 7179 1 55 . GLY . 7179 1 56 . THR . 7179 1 57 . THR . 7179 1 58 . SER . 7179 1 59 . ASN . 7179 1 60 . PHE . 7179 1 61 . LYS . 7179 1 62 . GLY . 7179 1 63 . VAL . 7179 1 64 . VAL . 7179 1 65 . THR . 7179 1 66 . PRO . 7179 1 67 . SER . 7179 1 68 . THR . 7179 1 69 . PRO . 7179 1 70 . VAL . 7179 1 71 . ASN . 7179 1 72 . THR . 7179 1 73 . ASN . 7179 1 74 . GLN . 7179 1 75 . ASP . 7179 1 76 . ILE . 7179 1 77 . ASN . 7179 1 78 . LYS . 7179 1 79 . THR . 7179 1 80 . ASN . 7179 1 81 . LYS . 7179 1 82 . VAL . 7179 1 83 . GLY . 7179 1 84 . VAL . 7179 1 85 . GLN . 7179 1 86 . LYS . 7179 1 87 . TYR . 7179 1 88 . ARG . 7179 1 89 . ALA . 7179 1 90 . LEU . 7179 1 91 . THR . 7179 1 92 . GLU . 7179 1 93 . TRP . 7179 1 94 . VAL . 7179 1 95 . GLY . 7179 1 96 . SER . 7179 1 97 . ARG . 7179 1 98 . SER . 7179 1 99 . HIS . 7179 1 100 . HIS . 7179 1 101 . HIS . 7179 1 102 . HIS . 7179 1 103 . HIS . 7179 1 104 . HIS . 7179 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 . GLY 1 1 7179 1 . GLY 2 2 7179 1 . SER 3 3 7179 1 . GLY 4 4 7179 1 . TRP 5 5 7179 1 . ASN 6 6 7179 1 . ALA 7 7 7179 1 . ASP 8 8 7179 1 . ASN 9 9 7179 1 . VAL 10 10 7179 1 . ASP 11 11 7179 1 . PRO 12 12 7179 1 . SER 13 13 7179 1 . GLN 14 14 7179 1 . CYS 15 15 7179 1 . ILE 16 16 7179 1 . LYS 17 17 7179 1 . GLN 18 18 7179 1 . SER 19 19 7179 1 . GLY 20 20 7179 1 . VAL 21 21 7179 1 . GLN 22 22 7179 1 . TYR 23 23 7179 1 . THR 24 24 7179 1 . TYR 25 25 7179 1 . ASN 26 26 7179 1 . SER 27 27 7179 1 . GLY 28 28 7179 1 . VAL 29 29 7179 1 . SER 30 30 7179 1 . VAL 31 31 7179 1 . CYS 32 32 7179 1 . MET 33 33 7179 1 . GLN 34 34 7179 1 . GLY 35 35 7179 1 . LEU 36 36 7179 1 . ASN 37 37 7179 1 . GLU 38 38 7179 1 . GLY 39 39 7179 1 . LYS 40 40 7179 1 . VAL 41 41 7179 1 . ARG 42 42 7179 1 . GLY 43 43 7179 1 . VAL 44 44 7179 1 . SER 45 45 7179 1 . VAL 46 46 7179 1 . SER 47 47 7179 1 . GLY 48 48 7179 1 . VAL 49 49 7179 1 . PHE 50 50 7179 1 . TYR 51 51 7179 1 . TYR 52 52 7179 1 . ASN 53 53 7179 1 . ASP 54 54 7179 1 . GLY 55 55 7179 1 . THR 56 56 7179 1 . THR 57 57 7179 1 . SER 58 58 7179 1 . ASN 59 59 7179 1 . PHE 60 60 7179 1 . LYS 61 61 7179 1 . GLY 62 62 7179 1 . VAL 63 63 7179 1 . VAL 64 64 7179 1 . THR 65 65 7179 1 . PRO 66 66 7179 1 . SER 67 67 7179 1 . THR 68 68 7179 1 . PRO 69 69 7179 1 . VAL 70 70 7179 1 . ASN 71 71 7179 1 . THR 72 72 7179 1 . ASN 73 73 7179 1 . GLN 74 74 7179 1 . ASP 75 75 7179 1 . ILE 76 76 7179 1 . ASN 77 77 7179 1 . LYS 78 78 7179 1 . THR 79 79 7179 1 . ASN 80 80 7179 1 . LYS 81 81 7179 1 . VAL 82 82 7179 1 . GLY 83 83 7179 1 . VAL 84 84 7179 1 . GLN 85 85 7179 1 . LYS 86 86 7179 1 . TYR 87 87 7179 1 . ARG 88 88 7179 1 . ALA 89 89 7179 1 . LEU 90 90 7179 1 . THR 91 91 7179 1 . GLU 92 92 7179 1 . TRP 93 93 7179 1 . VAL 94 94 7179 1 . GLY 95 95 7179 1 . SER 96 96 7179 1 . ARG 97 97 7179 1 . SER 98 98 7179 1 . HIS 99 99 7179 1 . HIS 100 100 7179 1 . HIS 101 101 7179 1 . HIS 102 102 7179 1 . HIS 103 103 7179 1 . HIS 104 104 7179 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 7179 _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 $Aap . 562 . . 'Escherichia coli' 'Escherichia coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 7179 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 7179 _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 $Aap . 'recombinant technology' . . . . . . . . . . . . . . . . 7179 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7179 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Dispersin, Aap' '[U-15N; U-13C]' . . 1 $Aap . . 1 . . mM . . . . 7179 1 2 Phosphate . . . . . . . 45 . . mM . . . . 7179 1 3 NaCl . . . . . . . 45 . . mM . . . . 7179 1 4 EDTA . . . . . . . 0.2 . . mM . . . . 7179 1 5 NaN3 . . . . . . . 0.2 . . mM . . . . 7179 1 6 DTT . . . . . . . 0.1 . . mM . . . . 7179 1 7 H2O . . . . . . . 90 . . % . . . . 7179 1 8 D2O . . . . . . . 10 . . % . . . . 7179 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7179 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . n/a 7179 1 pressure 1 . atm 7179 1 temperature 298 . K 7179 1 stop_ save_ ############################ # Computer software used # ############################ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 7179 _Software.ID 1 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 2.9.1 _Software.DOI . _Software.Details 'Schwieters, C.D., Clore, G.M.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7179 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7179 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 1.8 _Software.DOI . _Software.Details 'Delaglio, F. et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7179 2 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 7179 _Software.ID 3 _Software.Type . _Software.Name xwinnmr _Software.Version 2.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7179 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7179 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7179 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DMX . 600 . . . 7179 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 7179 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7179 1 2 '2D TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7179 1 3 '3D 13C-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7179 1 4 '3D 15N-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7179 1 5 '4D 13C-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7179 1 6 '4D 13C/15N-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7179 1 7 '3D 15N-edited HOHAHA-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7179 1 8 '3D 15N edited HMQC-NOESY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7179 1 9 '3D 15N HNHA' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7179 1 10 '3D HNCO' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7179 1 11 '3D C(CO)NH' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7179 1 12 '3D CBCA(CO)NH' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7179 1 13 '3D HNCACB' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7179 1 14 '3D HCA(CO)N' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7179 1 15 IPAP-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7179 1 16 '3D HN(CO)CA' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7179 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7179 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 . . . . . . ppm . . . . . . . . . 7179 1 H 1 . . . . . . ppm . . . . . . . . . 7179 1 N 15 . . . . . . ppm . . . . . . . . . 7179 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7179 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NOESY' 1 $sample_1 . 7179 1 2 '2D TOCSY' 1 $sample_1 . 7179 1 3 '3D 13C-separated NOESY' 1 $sample_1 . 7179 1 4 '3D 15N-separated NOESY' 1 $sample_1 . 7179 1 5 '4D 13C-separated NOESY' 1 $sample_1 . 7179 1 6 '4D 13C/15N-separated NOESY' 1 $sample_1 . 7179 1 7 '3D 15N-edited HOHAHA-HSQC' 1 $sample_1 . 7179 1 8 '3D 15N edited HMQC-NOESY-HSQC' 1 $sample_1 . 7179 1 9 '3D 15N HNHA' 1 $sample_1 . 7179 1 10 '3D HNCO' 1 $sample_1 . 7179 1 11 '3D C(CO)NH' 1 $sample_1 . 7179 1 12 '3D CBCA(CO)NH' 1 $sample_1 . 7179 1 13 '3D HNCACB' 1 $sample_1 . 7179 1 14 '3D HCA(CO)N' 1 $sample_1 . 7179 1 15 IPAP-HSQC 1 $sample_1 . 7179 1 16 '3D HN(CO)CA' 1 $sample_1 . 7179 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 2 2 GLY CA C 13 44.99 . . 1 . . . . . . . . . 7179 1 2 . 1 1 3 3 SER HA H 1 4.51 . . 1 . . . . . . . . . 7179 1 3 . 1 1 3 3 SER HB2 H 1 3.93 . . 2 . . . . . . . . . 7179 1 4 . 1 1 3 3 SER HB3 H 1 3.86 . . 2 . . . . . . . . . 7179 1 5 . 1 1 3 3 SER CA C 13 58.11 . . 1 . . . . . . . . . 7179 1 6 . 1 1 3 3 SER CB C 13 63.97 . . 1 . . . . . . . . . 7179 1 7 . 1 1 4 4 GLY H H 1 8.49 . . 1 . . . . . . . . . 7179 1 8 . 1 1 4 4 GLY HA2 H 1 3.95 . . 2 . . . . . . . . . 7179 1 9 . 1 1 4 4 GLY C C 13 173.47 . . 1 . . . . . . . . . 7179 1 10 . 1 1 4 4 GLY CA C 13 44.75 . . 1 . . . . . . . . . 7179 1 11 . 1 1 4 4 GLY N N 15 111.36 . . 1 . . . . . . . . . 7179 1 12 . 1 1 5 5 TRP H H 1 9.05 . . 1 . . . . . . . . . 7179 1 13 . 1 1 5 5 TRP HA H 1 3.93 . . 1 . . . . . . . . . 7179 1 14 . 1 1 5 5 TRP HB2 H 1 2.97 . . 2 . . . . . . . . . 7179 1 15 . 1 1 5 5 TRP HB3 H 1 2.81 . . 2 . . . . . . . . . 7179 1 16 . 1 1 5 5 TRP HD1 H 1 7.16 . . 1 . . . . . . . . . 7179 1 17 . 1 1 5 5 TRP HE1 H 1 10.64 . . 1 . . . . . . . . . 7179 1 18 . 1 1 5 5 TRP HE3 H 1 7.06 . . 1 . . . . . . . . . 7179 1 19 . 1 1 5 5 TRP HZ2 H 1 6.84 . . 1 . . . . . . . . . 7179 1 20 . 1 1 5 5 TRP HZ3 H 1 6.37 . . 1 . . . . . . . . . 7179 1 21 . 1 1 5 5 TRP HH2 H 1 5.19 . . 1 . . . . . . . . . 7179 1 22 . 1 1 5 5 TRP C C 13 175.97 . . 1 . . . . . . . . . 7179 1 23 . 1 1 5 5 TRP CA C 13 60.69 . . 1 . . . . . . . . . 7179 1 24 . 1 1 5 5 TRP CB C 13 30.22 . . 1 . . . . . . . . . 7179 1 25 . 1 1 5 5 TRP CD1 C 13 127.35 . . 1 . . . . . . . . . 7179 1 26 . 1 1 5 5 TRP CZ2 C 13 113.89 . . 1 . . . . . . . . . 7179 1 27 . 1 1 5 5 TRP CZ3 C 13 121.36 . . 1 . . . . . . . . . 7179 1 28 . 1 1 5 5 TRP CH2 C 13 123.23 . . 1 . . . . . . . . . 7179 1 29 . 1 1 5 5 TRP N N 15 125.8 . . 1 . . . . . . . . . 7179 1 30 . 1 1 5 5 TRP NE1 N 15 130.31 . . 1 . . . . . . . . . 7179 1 31 . 1 1 6 6 ASN H H 1 7.49 . . 1 . . . . . . . . . 7179 1 32 . 1 1 6 6 ASN HA H 1 4.61 . . 1 . . . . . . . . . 7179 1 33 . 1 1 6 6 ASN HB2 H 1 2.59 . . 2 . . . . . . . . . 7179 1 34 . 1 1 6 6 ASN HB3 H 1 2.42 . . 2 . . . . . . . . . 7179 1 35 . 1 1 6 6 ASN C C 13 173.47 . . 1 . . . . . . . . . 7179 1 36 . 1 1 6 6 ASN CA C 13 51.78 . . 1 . . . . . . . . . 7179 1 37 . 1 1 6 6 ASN CB C 13 41 . . 1 . . . . . . . . . 7179 1 38 . 1 1 6 6 ASN N N 15 126.45 . . 1 . . . . . . . . . 7179 1 39 . 1 1 7 7 ALA H H 1 8.61 . . 1 . . . . . . . . . 7179 1 40 . 1 1 7 7 ALA HA H 1 2.66 . . 1 . . . . . . . . . 7179 1 41 . 1 1 7 7 ALA HB1 H 1 1.02 . . 1 . . . . . . . . . 7179 1 42 . 1 1 7 7 ALA HB2 H 1 1.02 . . 1 . . . . . . . . . 7179 1 43 . 1 1 7 7 ALA HB3 H 1 1.02 . . 1 . . . . . . . . . 7179 1 44 . 1 1 7 7 ALA C C 13 177.93 . . 1 . . . . . . . . . 7179 1 45 . 1 1 7 7 ALA CA C 13 54.36 . . 1 . . . . . . . . . 7179 1 46 . 1 1 7 7 ALA CB C 13 18.27 . . 1 . . . . . . . . . 7179 1 47 . 1 1 7 7 ALA N N 15 130.7 . . 1 . . . . . . . . . 7179 1 48 . 1 1 8 8 ASP H H 1 7.95 . . 1 . . . . . . . . . 7179 1 49 . 1 1 8 8 ASP HA H 1 4.34 . . 1 . . . . . . . . . 7179 1 50 . 1 1 8 8 ASP HB2 H 1 2.59 . . 2 . . . . . . . . . 7179 1 51 . 1 1 8 8 ASP HB3 H 1 2.37 . . 2 . . . . . . . . . 7179 1 52 . 1 1 8 8 ASP C C 13 176.86 . . 1 . . . . . . . . . 7179 1 53 . 1 1 8 8 ASP CA C 13 56 . . 1 . . . . . . . . . 7179 1 54 . 1 1 8 8 ASP CB C 13 40.06 . . 1 . . . . . . . . . 7179 1 55 . 1 1 8 8 ASP N N 15 113.94 . . 1 . . . . . . . . . 7179 1 56 . 1 1 9 9 ASN H H 1 7.52 . . 1 . . . . . . . . . 7179 1 57 . 1 1 9 9 ASN HA H 1 4.75 . . 1 . . . . . . . . . 7179 1 58 . 1 1 9 9 ASN HB2 H 1 2.89 . . 2 . . . . . . . . . 7179 1 59 . 1 1 9 9 ASN HB3 H 1 2.51 . . 2 . . . . . . . . . 7179 1 60 . 1 1 9 9 ASN C C 13 174.18 . . 1 . . . . . . . . . 7179 1 61 . 1 1 9 9 ASN CA C 13 52.25 . . 1 . . . . . . . . . 7179 1 62 . 1 1 9 9 ASN CB C 13 39.6 . . 1 . . . . . . . . . 7179 1 63 . 1 1 9 9 ASN N N 15 114.97 . . 1 . . . . . . . . . 7179 1 64 . 1 1 10 10 VAL H H 1 7.18 . . 1 . . . . . . . . . 7179 1 65 . 1 1 10 10 VAL HA H 1 4.12 . . 1 . . . . . . . . . 7179 1 66 . 1 1 10 10 VAL HB H 1 1.8 . . 1 . . . . . . . . . 7179 1 67 . 1 1 10 10 VAL HG11 H 1 0.32 . . 1 . . . . . . . . . 7179 1 68 . 1 1 10 10 VAL HG12 H 1 0.32 . . 1 . . . . . . . . . 7179 1 69 . 1 1 10 10 VAL HG13 H 1 0.32 . . 1 . . . . . . . . . 7179 1 70 . 1 1 10 10 VAL HG21 H 1 1.09 . . 1 . . . . . . . . . 7179 1 71 . 1 1 10 10 VAL HG22 H 1 1.09 . . 1 . . . . . . . . . 7179 1 72 . 1 1 10 10 VAL HG23 H 1 1.09 . . 1 . . . . . . . . . 7179 1 73 . 1 1 10 10 VAL C C 13 174.18 . . 1 . . . . . . . . . 7179 1 74 . 1 1 10 10 VAL CA C 13 60.92 . . 1 . . . . . . . . . 7179 1 75 . 1 1 10 10 VAL CB C 13 33.97 . . 1 . . . . . . . . . 7179 1 76 . 1 1 10 10 VAL CG1 C 13 19.44 . . 1 . . . . . . . . . 7179 1 77 . 1 1 10 10 VAL CG2 C 13 21.9 . . 1 . . . . . . . . . 7179 1 78 . 1 1 10 10 VAL N N 15 121.93 . . 1 . . . . . . . . . 7179 1 79 . 1 1 11 11 ASP H H 1 8.64 . . 1 . . . . . . . . . 7179 1 80 . 1 1 11 11 ASP HA H 1 4.75 . . 1 . . . . . . . . . 7179 1 81 . 1 1 11 11 ASP HB2 H 1 2.74 . . 2 . . . . . . . . . 7179 1 82 . 1 1 11 11 ASP HB3 H 1 2.8 . . 2 . . . . . . . . . 7179 1 83 . 1 1 11 11 ASP CA C 13 51.78 . . 1 . . . . . . . . . 7179 1 84 . 1 1 11 11 ASP CB C 13 41.24 . . 1 . . . . . . . . . 7179 1 85 . 1 1 11 11 ASP N N 15 130.57 . . 1 . . . . . . . . . 7179 1 86 . 1 1 12 12 PRO HA H 1 3.43 . . 1 . . . . . . . . . 7179 1 87 . 1 1 12 12 PRO HB2 H 1 0.98 . . 2 . . . . . . . . . 7179 1 88 . 1 1 12 12 PRO HB3 H 1 0.0 . . 2 . . . . . . . . . 7179 1 89 . 1 1 12 12 PRO HG2 H 1 1.59 . . 2 . . . . . . . . . 7179 1 90 . 1 1 12 12 PRO HG3 H 1 1.73 . . 2 . . . . . . . . . 7179 1 91 . 1 1 12 12 PRO HD2 H 1 4.09 . . 2 . . . . . . . . . 7179 1 92 . 1 1 12 12 PRO C C 13 178.47 . . 1 . . . . . . . . . 7179 1 93 . 1 1 12 12 PRO CA C 13 64.52 . . 1 . . . . . . . . . 7179 1 94 . 1 1 12 12 PRO CB C 13 30.06 . . 1 . . . . . . . . . 7179 1 95 . 1 1 12 12 PRO CG C 13 26.01 . . 1 . . . . . . . . . 7179 1 96 . 1 1 12 12 PRO CD C 13 50.03 . . 1 . . . . . . . . . 7179 1 97 . 1 1 12 12 PRO N N 15 140.46 . . 1 . . . . . . . . . 7179 1 98 . 1 1 13 13 SER H H 1 8.19 . . 1 . . . . . . . . . 7179 1 99 . 1 1 13 13 SER HA H 1 3.79 . . 1 . . . . . . . . . 7179 1 100 . 1 1 13 13 SER HB2 H 1 3.92 . . 2 . . . . . . . . . 7179 1 101 . 1 1 13 13 SER C C 13 175.61 . . 1 . . . . . . . . . 7179 1 102 . 1 1 13 13 SER CA C 13 61.63 . . 1 . . . . . . . . . 7179 1 103 . 1 1 13 13 SER CB C 13 62.33 . . 1 . . . . . . . . . 7179 1 104 . 1 1 13 13 SER N N 15 115.1 . . 1 . . . . . . . . . 7179 1 105 . 1 1 14 14 GLN H H 1 7.45 . . 1 . . . . . . . . . 7179 1 106 . 1 1 14 14 GLN HA H 1 4.42 . . 1 . . . . . . . . . 7179 1 107 . 1 1 14 14 GLN HB2 H 1 2.15 . . 2 . . . . . . . . . 7179 1 108 . 1 1 14 14 GLN HB3 H 1 2.29 . . 2 . . . . . . . . . 7179 1 109 . 1 1 14 14 GLN HG2 H 1 2.29 . . 2 . . . . . . . . . 7179 1 110 . 1 1 14 14 GLN HG3 H 1 2.53 . . 2 . . . . . . . . . 7179 1 111 . 1 1 14 14 GLN C C 13 177.04 . . 1 . . . . . . . . . 7179 1 112 . 1 1 14 14 GLN CA C 13 56 . . 1 . . . . . . . . . 7179 1 113 . 1 1 14 14 GLN CB C 13 28.81 . . 1 . . . . . . . . . 7179 1 114 . 1 1 14 14 GLN CG C 13 34.03 . . 1 . . . . . . . . . 7179 1 115 . 1 1 14 14 GLN N N 15 117.68 . . 1 . . . . . . . . . 7179 1 116 . 1 1 15 15 CYS H H 1 7.72 . . 1 . . . . . . . . . 7179 1 117 . 1 1 15 15 CYS HA H 1 5.02 . . 1 . . . . . . . . . 7179 1 118 . 1 1 15 15 CYS HB2 H 1 3.03 . . 2 . . . . . . . . . 7179 1 119 . 1 1 15 15 CYS HB3 H 1 2.34 . . 2 . . . . . . . . . 7179 1 120 . 1 1 15 15 CYS C C 13 172.76 . . 1 . . . . . . . . . 7179 1 121 . 1 1 15 15 CYS CA C 13 53.19 . . 1 . . . . . . . . . 7179 1 122 . 1 1 15 15 CYS CB C 13 37.72 . . 1 . . . . . . . . . 7179 1 123 . 1 1 15 15 CYS N N 15 116.26 . . 1 . . . . . . . . . 7179 1 124 . 1 1 16 16 ILE H H 1 7.16 . . 1 . . . . . . . . . 7179 1 125 . 1 1 16 16 ILE HA H 1 5.05 . . 1 . . . . . . . . . 7179 1 126 . 1 1 16 16 ILE HB H 1 1.74 . . 1 . . . . . . . . . 7179 1 127 . 1 1 16 16 ILE HG12 H 1 1.3 . . 2 . . . . . . . . . 7179 1 128 . 1 1 16 16 ILE HG13 H 1 0.93 . . 2 . . . . . . . . . 7179 1 129 . 1 1 16 16 ILE HG21 H 1 0.55 . . 1 . . . . . . . . . 7179 1 130 . 1 1 16 16 ILE HG22 H 1 0.55 . . 1 . . . . . . . . . 7179 1 131 . 1 1 16 16 ILE HG23 H 1 0.55 . . 1 . . . . . . . . . 7179 1 132 . 1 1 16 16 ILE HD11 H 1 0.32 . . 1 . . . . . . . . . 7179 1 133 . 1 1 16 16 ILE HD12 H 1 0.32 . . 1 . . . . . . . . . 7179 1 134 . 1 1 16 16 ILE HD13 H 1 0.32 . . 1 . . . . . . . . . 7179 1 135 . 1 1 16 16 ILE C C 13 173.29 . . 1 . . . . . . . . . 7179 1 136 . 1 1 16 16 ILE CA C 13 58.58 . . 1 . . . . . . . . . 7179 1 137 . 1 1 16 16 ILE CB C 13 42.41 . . 1 . . . . . . . . . 7179 1 138 . 1 1 16 16 ILE CG1 C 13 24.01 . . 1 . . . . . . . . . 7179 1 139 . 1 1 16 16 ILE CG2 C 13 17.92 . . 1 . . . . . . . . . 7179 1 140 . 1 1 16 16 ILE CD1 C 13 14.4 . . 1 . . . . . . . . . 7179 1 141 . 1 1 16 16 ILE N N 15 113.17 . . 1 . . . . . . . . . 7179 1 142 . 1 1 17 17 LYS H H 1 9.02 . . 1 . . . . . . . . . 7179 1 143 . 1 1 17 17 LYS HA H 1 4.64 . . 1 . . . . . . . . . 7179 1 144 . 1 1 17 17 LYS HB2 H 1 1.63 . . 2 . . . . . . . . . 7179 1 145 . 1 1 17 17 LYS HG2 H 1 1.11 . . 2 . . . . . . . . . 7179 1 146 . 1 1 17 17 LYS HE2 H 1 2.95 . . 2 . . . . . . . . . 7179 1 147 . 1 1 17 17 LYS C C 13 174.36 . . 1 . . . . . . . . . 7179 1 148 . 1 1 17 17 LYS CA C 13 54.36 . . 1 . . . . . . . . . 7179 1 149 . 1 1 17 17 LYS CB C 13 35.38 . . 1 . . . . . . . . . 7179 1 150 . 1 1 17 17 LYS CG C 13 23.54 . . 1 . . . . . . . . . 7179 1 151 . 1 1 17 17 LYS CD C 13 28.94 . . 1 . . . . . . . . . 7179 1 152 . 1 1 17 17 LYS CE C 13 41.83 . . 1 . . . . . . . . . 7179 1 153 . 1 1 17 17 LYS N N 15 120.13 . . 1 . . . . . . . . . 7179 1 154 . 1 1 18 18 GLN H H 1 8.8 . . 1 . . . . . . . . . 7179 1 155 . 1 1 18 18 GLN HA H 1 3.9 . . 1 . . . . . . . . . 7179 1 156 . 1 1 18 18 GLN HB2 H 1 1.82 . . 2 . . . . . . . . . 7179 1 157 . 1 1 18 18 GLN HB3 H 1 1.35 . . 2 . . . . . . . . . 7179 1 158 . 1 1 18 18 GLN HG2 H 1 1.63 . . 2 . . . . . . . . . 7179 1 159 . 1 1 18 18 GLN HG3 H 1 1.44 . . 2 . . . . . . . . . 7179 1 160 . 1 1 18 18 GLN C C 13 175.26 . . 1 . . . . . . . . . 7179 1 161 . 1 1 18 18 GLN CA C 13 55.53 . . 1 . . . . . . . . . 7179 1 162 . 1 1 18 18 GLN CB C 13 28.58 . . 1 . . . . . . . . . 7179 1 163 . 1 1 18 18 GLN CG C 13 33.51 . . 1 . . . . . . . . . 7179 1 164 . 1 1 18 18 GLN N N 15 126.58 . . 1 . . . . . . . . . 7179 1 165 . 1 1 19 19 SER H H 1 8.64 . . 1 . . . . . . . . . 7179 1 166 . 1 1 19 19 SER HA H 1 4.53 . . 1 . . . . . . . . . 7179 1 167 . 1 1 19 19 SER HB2 H 1 3.57 . . 2 . . . . . . . . . 7179 1 168 . 1 1 19 19 SER HB3 H 1 3.74 . . 2 . . . . . . . . . 7179 1 169 . 1 1 19 19 SER C C 13 174.54 . . 1 . . . . . . . . . 7179 1 170 . 1 1 19 19 SER CA C 13 56.24 . . 1 . . . . . . . . . 7179 1 171 . 1 1 19 19 SER CB C 13 63.27 . . 1 . . . . . . . . . 7179 1 172 . 1 1 19 19 SER N N 15 124.9 . . 1 . . . . . . . . . 7179 1 173 . 1 1 20 20 GLY H H 1 8.84 . . 1 . . . . . . . . . 7179 1 174 . 1 1 20 20 GLY HA2 H 1 3.54 . . 2 . . . . . . . . . 7179 1 175 . 1 1 20 20 GLY HA3 H 1 4.04 . . 2 . . . . . . . . . 7179 1 176 . 1 1 20 20 GLY C C 13 175.26 . . 1 . . . . . . . . . 7179 1 177 . 1 1 20 20 GLY CA C 13 46.86 . . 1 . . . . . . . . . 7179 1 178 . 1 1 20 20 GLY N N 15 116.65 . . 1 . . . . . . . . . 7179 1 179 . 1 1 21 21 VAL H H 1 8.53 . . 1 . . . . . . . . . 7179 1 180 . 1 1 21 21 VAL HA H 1 4.53 . . 1 . . . . . . . . . 7179 1 181 . 1 1 21 21 VAL HB H 1 2.48 . . 1 . . . . . . . . . 7179 1 182 . 1 1 21 21 VAL HG11 H 1 0.79 . . 2 . . . . . . . . . 7179 1 183 . 1 1 21 21 VAL HG12 H 1 0.79 . . 2 . . . . . . . . . 7179 1 184 . 1 1 21 21 VAL HG13 H 1 0.79 . . 2 . . . . . . . . . 7179 1 185 . 1 1 21 21 VAL HG21 H 1 0.76 . . 2 . . . . . . . . . 7179 1 186 . 1 1 21 21 VAL HG22 H 1 0.76 . . 2 . . . . . . . . . 7179 1 187 . 1 1 21 21 VAL HG23 H 1 0.76 . . 2 . . . . . . . . . 7179 1 188 . 1 1 21 21 VAL C C 13 174.54 . . 1 . . . . . . . . . 7179 1 189 . 1 1 21 21 VAL CA C 13 60.22 . . 1 . . . . . . . . . 7179 1 190 . 1 1 21 21 VAL CB C 13 30.11 . . 1 . . . . . . . . . 7179 1 191 . 1 1 21 21 VAL CG1 C 13 18.04 . . 2 . . . . . . . . . 7179 1 192 . 1 1 21 21 VAL CG2 C 13 20.97 . . 2 . . . . . . . . . 7179 1 193 . 1 1 21 21 VAL N N 15 121.42 . . 1 . . . . . . . . . 7179 1 194 . 1 1 22 22 GLN H H 1 7.61 . . 1 . . . . . . . . . 7179 1 195 . 1 1 22 22 GLN HA H 1 5.46 . . 1 . . . . . . . . . 7179 1 196 . 1 1 22 22 GLN HB2 H 1 1.88 . . 2 . . . . . . . . . 7179 1 197 . 1 1 22 22 GLN HG2 H 1 2.37 . . 2 . . . . . . . . . 7179 1 198 . 1 1 22 22 GLN HG3 H 1 2.18 . . 2 . . . . . . . . . 7179 1 199 . 1 1 22 22 GLN C C 13 175.08 . . 1 . . . . . . . . . 7179 1 200 . 1 1 22 22 GLN CA C 13 54.36 . . 1 . . . . . . . . . 7179 1 201 . 1 1 22 22 GLN CB C 13 33.74 . . 1 . . . . . . . . . 7179 1 202 . 1 1 22 22 GLN CG C 13 34.03 . . 1 . . . . . . . . . 7179 1 203 . 1 1 22 22 GLN N N 15 118.58 . . 1 . . . . . . . . . 7179 1 204 . 1 1 23 23 TYR H H 1 9.22 . . 1 . . . . . . . . . 7179 1 205 . 1 1 23 23 TYR HA H 1 5.29 . . 1 . . . . . . . . . 7179 1 206 . 1 1 23 23 TYR HB2 H 1 2.62 . . 2 . . . . . . . . . 7179 1 207 . 1 1 23 23 TYR HB3 H 1 1.78 . . 2 . . . . . . . . . 7179 1 208 . 1 1 23 23 TYR HD1 H 1 6.62 . . 3 . . . . . . . . . 7179 1 209 . 1 1 23 23 TYR HE1 H 1 6.72 . . 3 . . . . . . . . . 7179 1 210 . 1 1 23 23 TYR C C 13 175.79 . . 1 . . . . . . . . . 7179 1 211 . 1 1 23 23 TYR CA C 13 58.11 . . 1 . . . . . . . . . 7179 1 212 . 1 1 23 23 TYR CB C 13 42.41 . . 1 . . . . . . . . . 7179 1 213 . 1 1 23 23 TYR CD1 C 13 132.28 . . 3 . . . . . . . . . 7179 1 214 . 1 1 23 23 TYR CE1 C 13 118 . . 3 . . . . . . . . . 7179 1 215 . 1 1 23 23 TYR N N 15 119.74 . . 1 . . . . . . . . . 7179 1 216 . 1 1 24 24 THR H H 1 8.9 . . 1 . . . . . . . . . 7179 1 217 . 1 1 24 24 THR HA H 1 4.94 . . 1 . . . . . . . . . 7179 1 218 . 1 1 24 24 THR HB H 1 4.28 . . 1 . . . . . . . . . 7179 1 219 . 1 1 24 24 THR HG21 H 1 1.12 . . 1 . . . . . . . . . 7179 1 220 . 1 1 24 24 THR HG22 H 1 1.12 . . 1 . . . . . . . . . 7179 1 221 . 1 1 24 24 THR HG23 H 1 1.12 . . 1 . . . . . . . . . 7179 1 222 . 1 1 24 24 THR C C 13 173.65 . . 1 . . . . . . . . . 7179 1 223 . 1 1 24 24 THR CA C 13 58.34 . . 1 . . . . . . . . . 7179 1 224 . 1 1 24 24 THR CB C 13 71.7 . . 1 . . . . . . . . . 7179 1 225 . 1 1 24 24 THR CG2 C 13 21.9 . . 1 . . . . . . . . . 7179 1 226 . 1 1 24 24 THR N N 15 110.85 . . 1 . . . . . . . . . 7179 1 227 . 1 1 25 25 TYR H H 1 9.28 . . 1 . . . . . . . . . 7179 1 228 . 1 1 25 25 TYR HA H 1 4.23 . . 1 . . . . . . . . . 7179 1 229 . 1 1 25 25 TYR HB2 H 1 2.71 . . 2 . . . . . . . . . 7179 1 230 . 1 1 25 25 TYR HB3 H 1 2.52 . . 2 . . . . . . . . . 7179 1 231 . 1 1 25 25 TYR HD1 H 1 6.7 . . 3 . . . . . . . . . 7179 1 232 . 1 1 25 25 TYR HE1 H 1 6.59 . . 3 . . . . . . . . . 7179 1 233 . 1 1 25 25 TYR C C 13 176.33 . . 1 . . . . . . . . . 7179 1 234 . 1 1 25 25 TYR CA C 13 59.52 . . 1 . . . . . . . . . 7179 1 235 . 1 1 25 25 TYR CB C 13 40.38 . . 1 . . . . . . . . . 7179 1 236 . 1 1 25 25 TYR CD1 C 13 133.03 . . 3 . . . . . . . . . 7179 1 237 . 1 1 25 25 TYR CE1 C 13 118 . . 3 . . . . . . . . . 7179 1 238 . 1 1 25 25 TYR N N 15 123.48 . . 1 . . . . . . . . . 7179 1 239 . 1 1 26 26 ASN H H 1 7.94 . . 1 . . . . . . . . . 7179 1 240 . 1 1 26 26 ASN HA H 1 4.96 . . 1 . . . . . . . . . 7179 1 241 . 1 1 26 26 ASN HB2 H 1 3.03 . . 2 . . . . . . . . . 7179 1 242 . 1 1 26 26 ASN HB3 H 1 2.02 . . 2 . . . . . . . . . 7179 1 243 . 1 1 26 26 ASN C C 13 174.18 . . 1 . . . . . . . . . 7179 1 244 . 1 1 26 26 ASN CA C 13 50.84 . . 1 . . . . . . . . . 7179 1 245 . 1 1 26 26 ASN CB C 13 35.61 . . 1 . . . . . . . . . 7179 1 246 . 1 1 26 26 ASN N N 15 129.02 . . 1 . . . . . . . . . 7179 1 247 . 1 1 27 27 SER H H 1 7.93 . . 1 . . . . . . . . . 7179 1 248 . 1 1 27 27 SER HA H 1 4.55 . . 1 . . . . . . . . . 7179 1 249 . 1 1 27 27 SER HB2 H 1 4.12 . . 2 . . . . . . . . . 7179 1 250 . 1 1 27 27 SER HB3 H 1 3.9 . . 2 . . . . . . . . . 7179 1 251 . 1 1 27 27 SER C C 13 174.54 . . 1 . . . . . . . . . 7179 1 252 . 1 1 27 27 SER CA C 13 59.52 . . 1 . . . . . . . . . 7179 1 253 . 1 1 27 27 SER CB C 13 63.5 . . 1 . . . . . . . . . 7179 1 254 . 1 1 27 27 SER N N 15 117.03 . . 1 . . . . . . . . . 7179 1 255 . 1 1 28 28 GLY H H 1 8.64 . . 1 . . . . . . . . . 7179 1 256 . 1 1 28 28 GLY HA2 H 1 4.16 . . 2 . . . . . . . . . 7179 1 257 . 1 1 28 28 GLY HA3 H 1 3.69 . . 2 . . . . . . . . . 7179 1 258 . 1 1 28 28 GLY C C 13 173.29 . . 1 . . . . . . . . . 7179 1 259 . 1 1 28 28 GLY CA C 13 44.75 . . 1 . . . . . . . . . 7179 1 260 . 1 1 28 28 GLY N N 15 108.78 . . 1 . . . . . . . . . 7179 1 261 . 1 1 29 29 VAL H H 1 7.12 . . 1 . . . . . . . . . 7179 1 262 . 1 1 29 29 VAL HA H 1 4.25 . . 1 . . . . . . . . . 7179 1 263 . 1 1 29 29 VAL HB H 1 2.04 . . 1 . . . . . . . . . 7179 1 264 . 1 1 29 29 VAL HG11 H 1 0.92 . . 1 . . . . . . . . . 7179 1 265 . 1 1 29 29 VAL HG12 H 1 0.92 . . 1 . . . . . . . . . 7179 1 266 . 1 1 29 29 VAL HG13 H 1 0.92 . . 1 . . . . . . . . . 7179 1 267 . 1 1 29 29 VAL HG21 H 1 1.09 . . 1 . . . . . . . . . 7179 1 268 . 1 1 29 29 VAL HG22 H 1 1.09 . . 1 . . . . . . . . . 7179 1 269 . 1 1 29 29 VAL HG23 H 1 1.09 . . 1 . . . . . . . . . 7179 1 270 . 1 1 29 29 VAL CA C 13 61.39 . . 1 . . . . . . . . . 7179 1 271 . 1 1 29 29 VAL CB C 13 32.56 . . 1 . . . . . . . . . 7179 1 272 . 1 1 29 29 VAL CG1 C 13 20.87 . . 1 . . . . . . . . . 7179 1 273 . 1 1 29 29 VAL CG2 C 13 21.99 . . 1 . . . . . . . . . 7179 1 274 . 1 1 29 29 VAL N N 15 121.8 . . 1 . . . . . . . . . 7179 1 275 . 1 1 30 30 SER C C 13 178.47 . . 1 . . . . . . . . . 7179 1 276 . 1 1 30 30 SER CA C 13 61.63 . . 1 . . . . . . . . . 7179 1 277 . 1 1 30 30 SER CB C 13 62.81 . . 1 . . . . . . . . . 7179 1 278 . 1 1 31 31 VAL H H 1 8.7 . . 1 . . . . . . . . . 7179 1 279 . 1 1 31 31 VAL HA H 1 4.42 . . 1 . . . . . . . . . 7179 1 280 . 1 1 31 31 VAL HB H 1 2.43 . . 1 . . . . . . . . . 7179 1 281 . 1 1 31 31 VAL HG11 H 1 1.12 . . 1 . . . . . . . . . 7179 1 282 . 1 1 31 31 VAL HG12 H 1 1.12 . . 1 . . . . . . . . . 7179 1 283 . 1 1 31 31 VAL HG13 H 1 1.12 . . 1 . . . . . . . . . 7179 1 284 . 1 1 31 31 VAL HG21 H 1 1.31 . . 1 . . . . . . . . . 7179 1 285 . 1 1 31 31 VAL HG22 H 1 1.31 . . 1 . . . . . . . . . 7179 1 286 . 1 1 31 31 VAL HG23 H 1 1.31 . . 1 . . . . . . . . . 7179 1 287 . 1 1 31 31 VAL C C 13 176.86 . . 1 . . . . . . . . . 7179 1 288 . 1 1 31 31 VAL CA C 13 65.61 . . 1 . . . . . . . . . 7179 1 289 . 1 1 31 31 VAL CB C 13 31.86 . . 1 . . . . . . . . . 7179 1 290 . 1 1 31 31 VAL CG1 C 13 20.38 . . 1 . . . . . . . . . 7179 1 291 . 1 1 31 31 VAL CG2 C 13 21.9 . . 1 . . . . . . . . . 7179 1 292 . 1 1 31 31 VAL N N 15 119.61 . . 1 . . . . . . . . . 7179 1 293 . 1 1 32 32 CYS H H 1 7.6 . . 1 . . . . . . . . . 7179 1 294 . 1 1 32 32 CYS HA H 1 5.07 . . 1 . . . . . . . . . 7179 1 295 . 1 1 32 32 CYS HB2 H 1 3.46 . . 2 . . . . . . . . . 7179 1 296 . 1 1 32 32 CYS HB3 H 1 2.97 . . 2 . . . . . . . . . 7179 1 297 . 1 1 32 32 CYS C C 13 177.93 . . 1 . . . . . . . . . 7179 1 298 . 1 1 32 32 CYS CA C 13 56.47 . . 1 . . . . . . . . . 7179 1 299 . 1 1 32 32 CYS CB C 13 37.49 . . 1 . . . . . . . . . 7179 1 300 . 1 1 32 32 CYS N N 15 117.42 . . 1 . . . . . . . . . 7179 1 301 . 1 1 33 33 MET H H 1 7.78 . . 1 . . . . . . . . . 7179 1 302 . 1 1 33 33 MET HA H 1 5.05 . . 1 . . . . . . . . . 7179 1 303 . 1 1 33 33 MET HB2 H 1 2.12 . . 2 . . . . . . . . . 7179 1 304 . 1 1 33 33 MET HG2 H 1 2.85 . . 2 . . . . . . . . . 7179 1 305 . 1 1 33 33 MET HG3 H 1 2.48 . . 2 . . . . . . . . . 7179 1 306 . 1 1 33 33 MET HE1 H 1 2.11 . . 1 . . . . . . . . . 7179 1 307 . 1 1 33 33 MET HE2 H 1 2.11 . . 1 . . . . . . . . . 7179 1 308 . 1 1 33 33 MET HE3 H 1 2.11 . . 1 . . . . . . . . . 7179 1 309 . 1 1 33 33 MET C C 13 178.29 . . 1 . . . . . . . . . 7179 1 310 . 1 1 33 33 MET CA C 13 54.36 . . 1 . . . . . . . . . 7179 1 311 . 1 1 33 33 MET CB C 13 30.45 . . 1 . . . . . . . . . 7179 1 312 . 1 1 33 33 MET CG C 13 31.75 . . 1 . . . . . . . . . 7179 1 313 . 1 1 33 33 MET CE C 13 15 . . 1 . . . . . . . . . 7179 1 314 . 1 1 33 33 MET N N 15 121.93 . . 1 . . . . . . . . . 7179 1 315 . 1 1 34 34 GLN H H 1 8.17 . . 1 . . . . . . . . . 7179 1 316 . 1 1 34 34 GLN HA H 1 3.81 . . 1 . . . . . . . . . 7179 1 317 . 1 1 34 34 GLN HB2 H 1 2.05 . . 2 . . . . . . . . . 7179 1 318 . 1 1 34 34 GLN HB3 H 1 1.59 . . 2 . . . . . . . . . 7179 1 319 . 1 1 34 34 GLN HG2 H 1 2.38 . . 2 . . . . . . . . . 7179 1 320 . 1 1 34 34 GLN HG3 H 1 2.05 . . 2 . . . . . . . . . 7179 1 321 . 1 1 34 34 GLN C C 13 176.51 . . 1 . . . . . . . . . 7179 1 322 . 1 1 34 34 GLN CA C 13 59.52 . . 1 . . . . . . . . . 7179 1 323 . 1 1 34 34 GLN CB C 13 28.11 . . 1 . . . . . . . . . 7179 1 324 . 1 1 34 34 GLN CG C 13 32.33 . . 1 . . . . . . . . . 7179 1 325 . 1 1 34 34 GLN N N 15 121.8 . . 1 . . . . . . . . . 7179 1 326 . 1 1 35 35 GLY H H 1 5.74 . . 1 . . . . . . . . . 7179 1 327 . 1 1 35 35 GLY HA2 H 1 2.05 . . 2 . . . . . . . . . 7179 1 328 . 1 1 35 35 GLY HA3 H 1 0.98 . . 2 . . . . . . . . . 7179 1 329 . 1 1 35 35 GLY C C 13 175.26 . . 1 . . . . . . . . . 7179 1 330 . 1 1 35 35 GLY CA C 13 46.16 . . 1 . . . . . . . . . 7179 1 331 . 1 1 35 35 GLY N N 15 101.7 . . 1 . . . . . . . . . 7179 1 332 . 1 1 36 36 LEU H H 1 6.27 . . 1 . . . . . . . . . 7179 1 333 . 1 1 36 36 LEU HA H 1 4.15 . . 1 . . . . . . . . . 7179 1 334 . 1 1 36 36 LEU HB2 H 1 1.72 . . 2 . . . . . . . . . 7179 1 335 . 1 1 36 36 LEU HB3 H 1 1.47 . . 2 . . . . . . . . . 7179 1 336 . 1 1 36 36 LEU HG H 1 1.47 . . 1 . . . . . . . . . 7179 1 337 . 1 1 36 36 LEU HD11 H 1 0.6 . . 2 . . . . . . . . . 7179 1 338 . 1 1 36 36 LEU HD12 H 1 0.6 . . 2 . . . . . . . . . 7179 1 339 . 1 1 36 36 LEU HD13 H 1 0.6 . . 2 . . . . . . . . . 7179 1 340 . 1 1 36 36 LEU HD21 H 1 0.62 . . 2 . . . . . . . . . 7179 1 341 . 1 1 36 36 LEU HD22 H 1 0.62 . . 2 . . . . . . . . . 7179 1 342 . 1 1 36 36 LEU HD23 H 1 0.62 . . 2 . . . . . . . . . 7179 1 343 . 1 1 36 36 LEU C C 13 180.79 . . 1 . . . . . . . . . 7179 1 344 . 1 1 36 36 LEU CA C 13 56.94 . . 1 . . . . . . . . . 7179 1 345 . 1 1 36 36 LEU CB C 13 41.7 . . 1 . . . . . . . . . 7179 1 346 . 1 1 36 36 LEU CG C 13 26.85 . . 1 . . . . . . . . . 7179 1 347 . 1 1 36 36 LEU CD1 C 13 23.49 . . 2 . . . . . . . . . 7179 1 348 . 1 1 36 36 LEU CD2 C 13 26.85 . . 2 . . . . . . . . . 7179 1 349 . 1 1 36 36 LEU N N 15 121.42 . . 1 . . . . . . . . . 7179 1 350 . 1 1 37 37 ASN H H 1 8.3 . . 1 . . . . . . . . . 7179 1 351 . 1 1 37 37 ASN HA H 1 4.31 . . 1 . . . . . . . . . 7179 1 352 . 1 1 37 37 ASN HB2 H 1 2.78 . . 2 . . . . . . . . . 7179 1 353 . 1 1 37 37 ASN C C 13 177.58 . . 1 . . . . . . . . . 7179 1 354 . 1 1 37 37 ASN CA C 13 55.3 . . 1 . . . . . . . . . 7179 1 355 . 1 1 37 37 ASN CB C 13 37.49 . . 1 . . . . . . . . . 7179 1 356 . 1 1 37 37 ASN N N 15 120.77 . . 1 . . . . . . . . . 7179 1 357 . 1 1 38 38 GLU H H 1 7.72 . . 1 . . . . . . . . . 7179 1 358 . 1 1 38 38 GLU HA H 1 4.2 . . 1 . . . . . . . . . 7179 1 359 . 1 1 38 38 GLU HB2 H 1 2.21 . . 2 . . . . . . . . . 7179 1 360 . 1 1 38 38 GLU HB3 H 1 1.63 . . 2 . . . . . . . . . 7179 1 361 . 1 1 38 38 GLU HG2 H 1 2.51 . . 2 . . . . . . . . . 7179 1 362 . 1 1 38 38 GLU HG3 H 1 2.21 . . 2 . . . . . . . . . 7179 1 363 . 1 1 38 38 GLU C C 13 176.68 . . 1 . . . . . . . . . 7179 1 364 . 1 1 38 38 GLU CA C 13 56.47 . . 1 . . . . . . . . . 7179 1 365 . 1 1 38 38 GLU CB C 13 30.45 . . 1 . . . . . . . . . 7179 1 366 . 1 1 38 38 GLU CG C 13 36.67 . . 1 . . . . . . . . . 7179 1 367 . 1 1 38 38 GLU N N 15 116.26 . . 1 . . . . . . . . . 7179 1 368 . 1 1 39 39 GLY H H 1 7.65 . . 1 . . . . . . . . . 7179 1 369 . 1 1 39 39 GLY HA2 H 1 3.98 . . 2 . . . . . . . . . 7179 1 370 . 1 1 39 39 GLY HA3 H 1 3.82 . . 2 . . . . . . . . . 7179 1 371 . 1 1 39 39 GLY C C 13 174.72 . . 1 . . . . . . . . . 7179 1 372 . 1 1 39 39 GLY CA C 13 45.69 . . 1 . . . . . . . . . 7179 1 373 . 1 1 39 39 GLY N N 15 108.27 . . 1 . . . . . . . . . 7179 1 374 . 1 1 40 40 LYS H H 1 7.82 . . 1 . . . . . . . . . 7179 1 375 . 1 1 40 40 LYS HA H 1 4.15 . . 1 . . . . . . . . . 7179 1 376 . 1 1 40 40 LYS HB2 H 1 2.02 . . 2 . . . . . . . . . 7179 1 377 . 1 1 40 40 LYS HB3 H 1 1.44 . . 2 . . . . . . . . . 7179 1 378 . 1 1 40 40 LYS HG2 H 1 1.44 . . 2 . . . . . . . . . 7179 1 379 . 1 1 40 40 LYS HD2 H 1 1.72 . . 2 . . . . . . . . . 7179 1 380 . 1 1 40 40 LYS HE2 H 1 3.28 . . 2 . . . . . . . . . 7179 1 381 . 1 1 40 40 LYS C C 13 176.86 . . 1 . . . . . . . . . 7179 1 382 . 1 1 40 40 LYS CA C 13 57.64 . . 1 . . . . . . . . . 7179 1 383 . 1 1 40 40 LYS CB C 13 34.67 . . 1 . . . . . . . . . 7179 1 384 . 1 1 40 40 LYS CG C 13 26.1 . . 1 . . . . . . . . . 7179 1 385 . 1 1 40 40 LYS CD C 13 29.76 . . 1 . . . . . . . . . 7179 1 386 . 1 1 40 40 LYS CE C 13 42.53 . . 1 . . . . . . . . . 7179 1 387 . 1 1 40 40 LYS N N 15 118.45 . . 1 . . . . . . . . . 7179 1 388 . 1 1 41 41 VAL H H 1 6.9 . . 1 . . . . . . . . . 7179 1 389 . 1 1 41 41 VAL HA H 1 4.91 . . 1 . . . . . . . . . 7179 1 390 . 1 1 41 41 VAL HB H 1 2.43 . . 1 . . . . . . . . . 7179 1 391 . 1 1 41 41 VAL HG11 H 1 0.13 . . 1 . . . . . . . . . 7179 1 392 . 1 1 41 41 VAL HG12 H 1 0.13 . . 1 . . . . . . . . . 7179 1 393 . 1 1 41 41 VAL HG13 H 1 0.13 . . 1 . . . . . . . . . 7179 1 394 . 1 1 41 41 VAL HG21 H 1 0.74 . . 1 . . . . . . . . . 7179 1 395 . 1 1 41 41 VAL HG22 H 1 0.74 . . 1 . . . . . . . . . 7179 1 396 . 1 1 41 41 VAL HG23 H 1 0.74 . . 1 . . . . . . . . . 7179 1 397 . 1 1 41 41 VAL C C 13 174.72 . . 1 . . . . . . . . . 7179 1 398 . 1 1 41 41 VAL CA C 13 58.58 . . 1 . . . . . . . . . 7179 1 399 . 1 1 41 41 VAL CB C 13 37.02 . . 1 . . . . . . . . . 7179 1 400 . 1 1 41 41 VAL CG1 C 13 16.86 . . 1 . . . . . . . . . 7179 1 401 . 1 1 41 41 VAL CG2 C 13 22.74 . . 1 . . . . . . . . . 7179 1 402 . 1 1 41 41 VAL N N 15 109.04 . . 1 . . . . . . . . . 7179 1 403 . 1 1 42 42 ARG H H 1 9.03 . . 1 . . . . . . . . . 7179 1 404 . 1 1 42 42 ARG HA H 1 4.53 . . 1 . . . . . . . . . 7179 1 405 . 1 1 42 42 ARG HB2 H 1 1.74 . . 2 . . . . . . . . . 7179 1 406 . 1 1 42 42 ARG HB3 H 1 1.58 . . 2 . . . . . . . . . 7179 1 407 . 1 1 42 42 ARG HG2 H 1 1.41 . . 2 . . . . . . . . . 7179 1 408 . 1 1 42 42 ARG HD2 H 1 3.18 . . 2 . . . . . . . . . 7179 1 409 . 1 1 42 42 ARG C C 13 175.08 . . 1 . . . . . . . . . 7179 1 410 . 1 1 42 42 ARG CA C 13 55.06 . . 1 . . . . . . . . . 7179 1 411 . 1 1 42 42 ARG CB C 13 32.1 . . 1 . . . . . . . . . 7179 1 412 . 1 1 42 42 ARG CG C 13 26.83 . . 1 . . . . . . . . . 7179 1 413 . 1 1 42 42 ARG CD C 13 43.12 . . 1 . . . . . . . . . 7179 1 414 . 1 1 42 42 ARG N N 15 116.39 . . 1 . . . . . . . . . 7179 1 415 . 1 1 43 43 GLY H H 1 7.35 . . 1 . . . . . . . . . 7179 1 416 . 1 1 43 43 GLY HA2 H 1 4.31 . . 2 . . . . . . . . . 7179 1 417 . 1 1 43 43 GLY HA3 H 1 3.84 . . 2 . . . . . . . . . 7179 1 418 . 1 1 43 43 GLY C C 13 170.43 . . 1 . . . . . . . . . 7179 1 419 . 1 1 43 43 GLY CA C 13 44.75 . . 1 . . . . . . . . . 7179 1 420 . 1 1 43 43 GLY N N 15 103.24 . . 1 . . . . . . . . . 7179 1 421 . 1 1 44 44 VAL H H 1 8.55 . . 1 . . . . . . . . . 7179 1 422 . 1 1 44 44 VAL HA H 1 4.5 . . 1 . . . . . . . . . 7179 1 423 . 1 1 44 44 VAL HB H 1 1.55 . . 1 . . . . . . . . . 7179 1 424 . 1 1 44 44 VAL HG11 H 1 0.38 . . 1 . . . . . . . . . 7179 1 425 . 1 1 44 44 VAL HG12 H 1 0.38 . . 1 . . . . . . . . . 7179 1 426 . 1 1 44 44 VAL HG13 H 1 0.38 . . 1 . . . . . . . . . 7179 1 427 . 1 1 44 44 VAL HG21 H 1 0.38 . . 1 . . . . . . . . . 7179 1 428 . 1 1 44 44 VAL HG22 H 1 0.38 . . 1 . . . . . . . . . 7179 1 429 . 1 1 44 44 VAL HG23 H 1 0.38 . . 1 . . . . . . . . . 7179 1 430 . 1 1 44 44 VAL C C 13 175.26 . . 1 . . . . . . . . . 7179 1 431 . 1 1 44 44 VAL CA C 13 61.39 . . 1 . . . . . . . . . 7179 1 432 . 1 1 44 44 VAL CB C 13 35.38 . . 1 . . . . . . . . . 7179 1 433 . 1 1 44 44 VAL CG1 C 13 22.72 . . 2 . . . . . . . . . 7179 1 434 . 1 1 44 44 VAL CG2 C 13 21.44 . . 2 . . . . . . . . . 7179 1 435 . 1 1 44 44 VAL N N 15 120.46 . . 1 . . . . . . . . . 7179 1 436 . 1 1 45 45 SER H H 1 9.43 . . 1 . . . . . . . . . 7179 1 437 . 1 1 45 45 SER HA H 1 4.94 . . 1 . . . . . . . . . 7179 1 438 . 1 1 45 45 SER HB2 H 1 3.76 . . 2 . . . . . . . . . 7179 1 439 . 1 1 45 45 SER HB3 H 1 3.65 . . 2 . . . . . . . . . 7179 1 440 . 1 1 45 45 SER C C 13 173.11 . . 1 . . . . . . . . . 7179 1 441 . 1 1 45 45 SER CA C 13 56.7 . . 1 . . . . . . . . . 7179 1 442 . 1 1 45 45 SER CB C 13 63.27 . . 1 . . . . . . . . . 7179 1 443 . 1 1 45 45 SER N N 15 124.0 . . 1 . . . . . . . . . 7179 1 444 . 1 1 46 46 VAL H H 1 9.02 . . 1 . . . . . . . . . 7179 1 445 . 1 1 46 46 VAL HA H 1 5.1 . . 1 . . . . . . . . . 7179 1 446 . 1 1 46 46 VAL HB H 1 1.39 . . 1 . . . . . . . . . 7179 1 447 . 1 1 46 46 VAL HG11 H 1 0.32 . . 2 . . . . . . . . . 7179 1 448 . 1 1 46 46 VAL HG12 H 1 0.32 . . 2 . . . . . . . . . 7179 1 449 . 1 1 46 46 VAL HG13 H 1 0.32 . . 2 . . . . . . . . . 7179 1 450 . 1 1 46 46 VAL HG21 H 1 0.57 . . 2 . . . . . . . . . 7179 1 451 . 1 1 46 46 VAL HG22 H 1 0.57 . . 2 . . . . . . . . . 7179 1 452 . 1 1 46 46 VAL HG23 H 1 0.57 . . 2 . . . . . . . . . 7179 1 453 . 1 1 46 46 VAL C C 13 172.4 . . 1 . . . . . . . . . 7179 1 454 . 1 1 46 46 VAL CA C 13 58.34 . . 1 . . . . . . . . . 7179 1 455 . 1 1 46 46 VAL CB C 13 35.14 . . 1 . . . . . . . . . 7179 1 456 . 1 1 46 46 VAL CG1 C 13 20.73 . . 2 . . . . . . . . . 7179 1 457 . 1 1 46 46 VAL CG2 C 13 19.33 . . 2 . . . . . . . . . 7179 1 458 . 1 1 46 46 VAL N N 15 127.22 . . 1 . . . . . . . . . 7179 1 459 . 1 1 47 47 SER H H 1 8.09 . . 1 . . . . . . . . . 7179 1 460 . 1 1 47 47 SER HA H 1 4.64 . . 1 . . . . . . . . . 7179 1 461 . 1 1 47 47 SER HB2 H 1 3.63 . . 2 . . . . . . . . . 7179 1 462 . 1 1 47 47 SER C C 13 172.93 . . 1 . . . . . . . . . 7179 1 463 . 1 1 47 47 SER CA C 13 55.53 . . 1 . . . . . . . . . 7179 1 464 . 1 1 47 47 SER CB C 13 65.14 . . 1 . . . . . . . . . 7179 1 465 . 1 1 47 47 SER N N 15 120.39 . . 1 . . . . . . . . . 7179 1 466 . 1 1 48 48 GLY H H 1 7.22 . . 1 . . . . . . . . . 7179 1 467 . 1 1 48 48 GLY HA2 H 1 4.58 . . 2 . . . . . . . . . 7179 1 468 . 1 1 48 48 GLY HA3 H 1 3.44 . . 2 . . . . . . . . . 7179 1 469 . 1 1 48 48 GLY C C 13 171.33 . . 1 . . . . . . . . . 7179 1 470 . 1 1 48 48 GLY CA C 13 45.22 . . 1 . . . . . . . . . 7179 1 471 . 1 1 48 48 GLY N N 15 110.46 . . 1 . . . . . . . . . 7179 1 472 . 1 1 49 49 VAL H H 1 7.98 . . 1 . . . . . . . . . 7179 1 473 . 1 1 49 49 VAL HA H 1 4.85 . . 1 . . . . . . . . . 7179 1 474 . 1 1 49 49 VAL HB H 1 1.72 . . 1 . . . . . . . . . 7179 1 475 . 1 1 49 49 VAL HG11 H 1 0.43 . . 1 . . . . . . . . . 7179 1 476 . 1 1 49 49 VAL HG12 H 1 0.43 . . 1 . . . . . . . . . 7179 1 477 . 1 1 49 49 VAL HG13 H 1 0.43 . . 1 . . . . . . . . . 7179 1 478 . 1 1 49 49 VAL HG21 H 1 0.7 . . 1 . . . . . . . . . 7179 1 479 . 1 1 49 49 VAL HG22 H 1 0.7 . . 1 . . . . . . . . . 7179 1 480 . 1 1 49 49 VAL HG23 H 1 0.7 . . 1 . . . . . . . . . 7179 1 481 . 1 1 49 49 VAL C C 13 174.18 . . 1 . . . . . . . . . 7179 1 482 . 1 1 49 49 VAL CA C 13 60.69 . . 1 . . . . . . . . . 7179 1 483 . 1 1 49 49 VAL CB C 13 36.08 . . 1 . . . . . . . . . 7179 1 484 . 1 1 49 49 VAL CG1 C 13 20.15 . . 1 . . . . . . . . . 7179 1 485 . 1 1 49 49 VAL CG2 C 13 21.08 . . 1 . . . . . . . . . 7179 1 486 . 1 1 49 49 VAL N N 15 118.84 . . 1 . . . . . . . . . 7179 1 487 . 1 1 50 50 PHE H H 1 9.06 . . 1 . . . . . . . . . 7179 1 488 . 1 1 50 50 PHE HA H 1 4.55 . . 1 . . . . . . . . . 7179 1 489 . 1 1 50 50 PHE HB2 H 1 2.92 . . 2 . . . . . . . . . 7179 1 490 . 1 1 50 50 PHE HB3 H 1 1.93 . . 2 . . . . . . . . . 7179 1 491 . 1 1 50 50 PHE HD1 H 1 7.12 . . 3 . . . . . . . . . 7179 1 492 . 1 1 50 50 PHE HE1 H 1 7.01 . . 3 . . . . . . . . . 7179 1 493 . 1 1 50 50 PHE HZ H 1 6.79 . . 1 . . . . . . . . . 7179 1 494 . 1 1 50 50 PHE C C 13 174.18 . . 1 . . . . . . . . . 7179 1 495 . 1 1 50 50 PHE CA C 13 57.64 . . 1 . . . . . . . . . 7179 1 496 . 1 1 50 50 PHE CB C 13 41.47 . . 1 . . . . . . . . . 7179 1 497 . 1 1 50 50 PHE CE1 C 13 131.16 . . 3 . . . . . . . . . 7179 1 498 . 1 1 50 50 PHE CZ C 13 129.59 . . 1 . . . . . . . . . 7179 1 499 . 1 1 50 50 PHE N N 15 123.35 . . 1 . . . . . . . . . 7179 1 500 . 1 1 51 51 TYR H H 1 8.66 . . 1 . . . . . . . . . 7179 1 501 . 1 1 51 51 TYR HA H 1 4.8 . . 1 . . . . . . . . . 7179 1 502 . 1 1 51 51 TYR HB2 H 1 3.0 . . 2 . . . . . . . . . 7179 1 503 . 1 1 51 51 TYR HB3 H 1 3.13 . . 2 . . . . . . . . . 7179 1 504 . 1 1 51 51 TYR HD1 H 1 7.05 . . 3 . . . . . . . . . 7179 1 505 . 1 1 51 51 TYR HE1 H 1 6.63 . . 3 . . . . . . . . . 7179 1 506 . 1 1 51 51 TYR C C 13 175.79 . . 1 . . . . . . . . . 7179 1 507 . 1 1 51 51 TYR CA C 13 56.0 . . 1 . . . . . . . . . 7179 1 508 . 1 1 51 51 TYR CB C 13 37.49 . . 1 . . . . . . . . . 7179 1 509 . 1 1 51 51 TYR CD1 C 13 134.15 . . 3 . . . . . . . . . 7179 1 510 . 1 1 51 51 TYR CE1 C 13 118.0 . . 3 . . . . . . . . . 7179 1 511 . 1 1 51 51 TYR N N 15 120.52 . . 1 . . . . . . . . . 7179 1 512 . 1 1 52 52 TYR H H 1 8.96 . . 1 . . . . . . . . . 7179 1 513 . 1 1 52 52 TYR HA H 1 5.05 . . 1 . . . . . . . . . 7179 1 514 . 1 1 52 52 TYR HB2 H 1 3.22 . . 2 . . . . . . . . . 7179 1 515 . 1 1 52 52 TYR HB3 H 1 2.89 . . 2 . . . . . . . . . 7179 1 516 . 1 1 52 52 TYR HD1 H 1 6.92 . . 3 . . . . . . . . . 7179 1 517 . 1 1 52 52 TYR HE1 H 1 6.62 . . 3 . . . . . . . . . 7179 1 518 . 1 1 52 52 TYR C C 13 178.11 . . 1 . . . . . . . . . 7179 1 519 . 1 1 52 52 TYR CA C 13 58.34 . . 1 . . . . . . . . . 7179 1 520 . 1 1 52 52 TYR CB C 13 39.13 . . 1 . . . . . . . . . 7179 1 521 . 1 1 52 52 TYR CD1 C 13 133.4 . . 3 . . . . . . . . . 7179 1 522 . 1 1 52 52 TYR CE1 C 13 118.37 . . 3 . . . . . . . . . 7179 1 523 . 1 1 52 52 TYR N N 15 123.09 . . 1 . . . . . . . . . 7179 1 524 . 1 1 53 53 ASN H H 1 8.54 . . 1 . . . . . . . . . 7179 1 525 . 1 1 53 53 ASN HA H 1 4.69 . . 1 . . . . . . . . . 7179 1 526 . 1 1 53 53 ASN HB2 H 1 2.75 . . 2 . . . . . . . . . 7179 1 527 . 1 1 53 53 ASN HB3 H 1 2.94 . . 2 . . . . . . . . . 7179 1 528 . 1 1 53 53 ASN C C 13 174.18 . . 1 . . . . . . . . . 7179 1 529 . 1 1 53 53 ASN CA C 13 55.77 . . 1 . . . . . . . . . 7179 1 530 . 1 1 53 53 ASN CB C 13 37.95 . . 1 . . . . . . . . . 7179 1 531 . 1 1 53 53 ASN N N 15 118.45 . . 1 . . . . . . . . . 7179 1 532 . 1 1 54 54 ASP H H 1 7.52 . . 1 . . . . . . . . . 7179 1 533 . 1 1 54 54 ASP HA H 1 4.75 . . 1 . . . . . . . . . 7179 1 534 . 1 1 54 54 ASP HB2 H 1 3.19 . . 2 . . . . . . . . . 7179 1 535 . 1 1 54 54 ASP HB3 H 1 2.51 . . 2 . . . . . . . . . 7179 1 536 . 1 1 54 54 ASP C C 13 176.68 . . 1 . . . . . . . . . 7179 1 537 . 1 1 54 54 ASP CA C 13 53.19 . . 1 . . . . . . . . . 7179 1 538 . 1 1 54 54 ASP CB C 13 40.53 . . 1 . . . . . . . . . 7179 1 539 . 1 1 54 54 ASP N N 15 117.42 . . 1 . . . . . . . . . 7179 1 540 . 1 1 55 55 GLY H H 1 8.1 . . 1 . . . . . . . . . 7179 1 541 . 1 1 55 55 GLY HA2 H 1 4.36 . . 2 . . . . . . . . . 7179 1 542 . 1 1 55 55 GLY HA3 H 1 3.98 . . 2 . . . . . . . . . 7179 1 543 . 1 1 55 55 GLY C C 13 174.72 . . 1 . . . . . . . . . 7179 1 544 . 1 1 55 55 GLY CA C 13 45.92 . . 1 . . . . . . . . . 7179 1 545 . 1 1 55 55 GLY N N 15 107.75 . . 1 . . . . . . . . . 7179 1 546 . 1 1 56 56 THR H H 1 7.83 . . 1 . . . . . . . . . 7179 1 547 . 1 1 56 56 THR HA H 1 4.83 . . 1 . . . . . . . . . 7179 1 548 . 1 1 56 56 THR HB H 1 4.53 . . 1 . . . . . . . . . 7179 1 549 . 1 1 56 56 THR HG21 H 1 1.12 . . 1 . . . . . . . . . 7179 1 550 . 1 1 56 56 THR HG22 H 1 1.12 . . 1 . . . . . . . . . 7179 1 551 . 1 1 56 56 THR HG23 H 1 1.12 . . 1 . . . . . . . . . 7179 1 552 . 1 1 56 56 THR C C 13 174.36 . . 1 . . . . . . . . . 7179 1 553 . 1 1 56 56 THR CA C 13 60.92 . . 1 . . . . . . . . . 7179 1 554 . 1 1 56 56 THR CB C 13 71.94 . . 1 . . . . . . . . . 7179 1 555 . 1 1 56 56 THR CG2 C 13 21.55 . . 1 . . . . . . . . . 7179 1 556 . 1 1 56 56 THR N N 15 112.14 . . 1 . . . . . . . . . 7179 1 557 . 1 1 57 57 THR H H 1 8.47 . . 1 . . . . . . . . . 7179 1 558 . 1 1 57 57 THR HA H 1 5.92 . . 1 . . . . . . . . . 7179 1 559 . 1 1 57 57 THR HB H 1 4.01 . . 1 . . . . . . . . . 7179 1 560 . 1 1 57 57 THR HG21 H 1 0.93 . . 1 . . . . . . . . . 7179 1 561 . 1 1 57 57 THR HG22 H 1 0.93 . . 1 . . . . . . . . . 7179 1 562 . 1 1 57 57 THR HG23 H 1 0.93 . . 1 . . . . . . . . . 7179 1 563 . 1 1 57 57 THR C C 13 175.08 . . 1 . . . . . . . . . 7179 1 564 . 1 1 57 57 THR CA C 13 59.52 . . 1 . . . . . . . . . 7179 1 565 . 1 1 57 57 THR CB C 13 73.34 . . 1 . . . . . . . . . 7179 1 566 . 1 1 57 57 THR CG2 C 13 22.14 . . 1 . . . . . . . . . 7179 1 567 . 1 1 57 57 THR N N 15 110.07 . . 1 . . . . . . . . . 7179 1 568 . 1 1 58 58 SER H H 1 8.94 . . 1 . . . . . . . . . 7179 1 569 . 1 1 58 58 SER HA H 1 4.94 . . 1 . . . . . . . . . 7179 1 570 . 1 1 58 58 SER HB2 H 1 4.54 . . 2 . . . . . . . . . 7179 1 571 . 1 1 58 58 SER HB3 H 1 4.26 . . 2 . . . . . . . . . 7179 1 572 . 1 1 58 58 SER C C 13 171.5 . . 1 . . . . . . . . . 7179 1 573 . 1 1 58 58 SER CA C 13 58.81 . . 1 . . . . . . . . . 7179 1 574 . 1 1 58 58 SER CB C 13 66.08 . . 1 . . . . . . . . . 7179 1 575 . 1 1 58 58 SER N N 15 115.49 . . 1 . . . . . . . . . 7179 1 576 . 1 1 59 59 ASN H H 1 9.0 . . 1 . . . . . . . . . 7179 1 577 . 1 1 59 59 ASN HA H 1 5.92 . . 1 . . . . . . . . . 7179 1 578 . 1 1 59 59 ASN HB2 H 1 2.97 . . 2 . . . . . . . . . 7179 1 579 . 1 1 59 59 ASN HB3 H 1 2.81 . . 2 . . . . . . . . . 7179 1 580 . 1 1 59 59 ASN C C 13 174.54 . . 1 . . . . . . . . . 7179 1 581 . 1 1 59 59 ASN CA C 13 52.49 . . 1 . . . . . . . . . 7179 1 582 . 1 1 59 59 ASN CB C 13 42.64 . . 1 . . . . . . . . . 7179 1 583 . 1 1 59 59 ASN N N 15 118.58 . . 1 . . . . . . . . . 7179 1 584 . 1 1 60 60 PHE H H 1 8.21 . . 1 . . . . . . . . . 7179 1 585 . 1 1 60 60 PHE HA H 1 5.05 . . 1 . . . . . . . . . 7179 1 586 . 1 1 60 60 PHE HB2 H 1 3.44 . . 2 . . . . . . . . . 7179 1 587 . 1 1 60 60 PHE HB3 H 1 3.14 . . 2 . . . . . . . . . 7179 1 588 . 1 1 60 60 PHE C C 13 173.11 . . 1 . . . . . . . . . 7179 1 589 . 1 1 60 60 PHE CA C 13 57.17 . . 1 . . . . . . . . . 7179 1 590 . 1 1 60 60 PHE CB C 13 41.47 . . 1 . . . . . . . . . 7179 1 591 . 1 1 60 60 PHE N N 15 116.65 . . 1 . . . . . . . . . 7179 1 592 . 1 1 61 61 LYS H H 1 8.51 . . 1 . . . . . . . . . 7179 1 593 . 1 1 61 61 LYS HA H 1 5.26 . . 1 . . . . . . . . . 7179 1 594 . 1 1 61 61 LYS HB2 H 1 1.87 . . 2 . . . . . . . . . 7179 1 595 . 1 1 61 61 LYS HB3 H 1 1.77 . . 2 . . . . . . . . . 7179 1 596 . 1 1 61 61 LYS HG2 H 1 1.25 . . 2 . . . . . . . . . 7179 1 597 . 1 1 61 61 LYS HD2 H 1 1.55 . . 2 . . . . . . . . . 7179 1 598 . 1 1 61 61 LYS HE2 H 1 2.9 . . 2 . . . . . . . . . 7179 1 599 . 1 1 61 61 LYS C C 13 175.26 . . 1 . . . . . . . . . 7179 1 600 . 1 1 61 61 LYS CA C 13 55.77 . . 1 . . . . . . . . . 7179 1 601 . 1 1 61 61 LYS CB C 13 35.15 . . 1 . . . . . . . . . 7179 1 602 . 1 1 61 61 LYS CG C 13 23.66 . . 1 . . . . . . . . . 7179 1 603 . 1 1 61 61 LYS CD C 13 29.52 . . 1 . . . . . . . . . 7179 1 604 . 1 1 61 61 LYS CE C 13 41.95 . . 1 . . . . . . . . . 7179 1 605 . 1 1 61 61 LYS N N 15 119.36 . . 1 . . . . . . . . . 7179 1 606 . 1 1 62 62 GLY H H 1 8.68 . . 1 . . . . . . . . . 7179 1 607 . 1 1 62 62 GLY HA2 H 1 4.2 . . 2 . . . . . . . . . 7179 1 608 . 1 1 62 62 GLY HA3 H 1 4.31 . . 2 . . . . . . . . . 7179 1 609 . 1 1 62 62 GLY C C 13 170.43 . . 1 . . . . . . . . . 7179 1 610 . 1 1 62 62 GLY CA C 13 45.92 . . 1 . . . . . . . . . 7179 1 611 . 1 1 62 62 GLY N N 15 109.94 . . 1 . . . . . . . . . 7179 1 612 . 1 1 63 63 VAL H H 1 8.32 . . 1 . . . . . . . . . 7179 1 613 . 1 1 63 63 VAL HA H 1 4.5 . . 1 . . . . . . . . . 7179 1 614 . 1 1 63 63 VAL HB H 1 1.96 . . 1 . . . . . . . . . 7179 1 615 . 1 1 63 63 VAL HG11 H 1 0.6 . . 1 . . . . . . . . . 7179 1 616 . 1 1 63 63 VAL HG12 H 1 0.6 . . 1 . . . . . . . . . 7179 1 617 . 1 1 63 63 VAL HG13 H 1 0.6 . . 1 . . . . . . . . . 7179 1 618 . 1 1 63 63 VAL HG21 H 1 0.87 . . 1 . . . . . . . . . 7179 1 619 . 1 1 63 63 VAL HG22 H 1 0.87 . . 1 . . . . . . . . . 7179 1 620 . 1 1 63 63 VAL HG23 H 1 0.87 . . 1 . . . . . . . . . 7179 1 621 . 1 1 63 63 VAL C C 13 174.36 . . 1 . . . . . . . . . 7179 1 622 . 1 1 63 63 VAL CA C 13 62.09 . . 1 . . . . . . . . . 7179 1 623 . 1 1 63 63 VAL CB C 13 32.8 . . 1 . . . . . . . . . 7179 1 624 . 1 1 63 63 VAL CG1 C 13 20.73 . . 1 . . . . . . . . . 7179 1 625 . 1 1 63 63 VAL CG2 C 13 21.55 . . 1 . . . . . . . . . 7179 1 626 . 1 1 63 63 VAL N N 15 120.64 . . 1 . . . . . . . . . 7179 1 627 . 1 1 64 64 VAL H H 1 9.58 . . 1 . . . . . . . . . 7179 1 628 . 1 1 64 64 VAL HA H 1 4.47 . . 1 . . . . . . . . . 7179 1 629 . 1 1 64 64 VAL HB H 1 2.1 . . 1 . . . . . . . . . 7179 1 630 . 1 1 64 64 VAL HG11 H 1 0.9 . . 2 . . . . . . . . . 7179 1 631 . 1 1 64 64 VAL HG12 H 1 0.9 . . 2 . . . . . . . . . 7179 1 632 . 1 1 64 64 VAL HG13 H 1 0.9 . . 2 . . . . . . . . . 7179 1 633 . 1 1 64 64 VAL HG21 H 1 1.06 . . 2 . . . . . . . . . 7179 1 634 . 1 1 64 64 VAL HG22 H 1 1.06 . . 2 . . . . . . . . . 7179 1 635 . 1 1 64 64 VAL HG23 H 1 1.06 . . 2 . . . . . . . . . 7179 1 636 . 1 1 64 64 VAL C C 13 176.15 . . 1 . . . . . . . . . 7179 1 637 . 1 1 64 64 VAL CA C 13 61.39 . . 1 . . . . . . . . . 7179 1 638 . 1 1 64 64 VAL CB C 13 32.1 . . 1 . . . . . . . . . 7179 1 639 . 1 1 64 64 VAL CG1 C 13 22.84 . . 2 . . . . . . . . . 7179 1 640 . 1 1 64 64 VAL CG2 C 13 23.12 . . 2 . . . . . . . . . 7179 1 641 . 1 1 64 64 VAL N N 15 129.93 . . 1 . . . . . . . . . 7179 1 642 . 1 1 65 65 THR H H 1 8.09 . . 1 . . . . . . . . . 7179 1 643 . 1 1 65 65 THR HA H 1 4.58 . . 1 . . . . . . . . . 7179 1 644 . 1 1 65 65 THR HB H 1 4.45 . . 1 . . . . . . . . . 7179 1 645 . 1 1 65 65 THR HG21 H 1 1.31 . . 1 . . . . . . . . . 7179 1 646 . 1 1 65 65 THR HG22 H 1 1.31 . . 1 . . . . . . . . . 7179 1 647 . 1 1 65 65 THR HG23 H 1 1.31 . . 1 . . . . . . . . . 7179 1 648 . 1 1 65 65 THR CA C 13 59.28 . . 1 . . . . . . . . . 7179 1 649 . 1 1 65 65 THR CB C 13 69.36 . . 1 . . . . . . . . . 7179 1 650 . 1 1 65 65 THR CG2 C 13 21.63 . . 1 . . . . . . . . . 7179 1 651 . 1 1 65 65 THR N N 15 117.55 . . 1 . . . . . . . . . 7179 1 652 . 1 1 66 66 PRO HA H 1 4.31 . . 1 . . . . . . . . . 7179 1 653 . 1 1 66 66 PRO HB2 H 1 2.48 . . 2 . . . . . . . . . 7179 1 654 . 1 1 66 66 PRO HG2 H 1 2.01 . . 2 . . . . . . . . . 7179 1 655 . 1 1 66 66 PRO HG3 H 1 1.55 . . 2 . . . . . . . . . 7179 1 656 . 1 1 66 66 PRO HD2 H 1 3.7 . . 2 . . . . . . . . . 7179 1 657 . 1 1 66 66 PRO HD3 H 1 2.48 . . 2 . . . . . . . . . 7179 1 658 . 1 1 66 66 PRO C C 13 175.97 . . 1 . . . . . . . . . 7179 1 659 . 1 1 66 66 PRO CA C 13 66.21 . . 1 . . . . . . . . . 7179 1 660 . 1 1 66 66 PRO CB C 13 31.5 . . 1 . . . . . . . . . 7179 1 661 . 1 1 66 66 PRO CG C 13 27.76 . . 1 . . . . . . . . . 7179 1 662 . 1 1 66 66 PRO CD C 13 49.45 . . 1 . . . . . . . . . 7179 1 663 . 1 1 66 66 PRO N N 15 135.4 . . 1 . . . . . . . . . 7179 1 664 . 1 1 67 67 SER H H 1 7.63 . . 1 . . . . . . . . . 7179 1 665 . 1 1 67 67 SER HA H 1 4.66 . . 1 . . . . . . . . . 7179 1 666 . 1 1 67 67 SER HB2 H 1 3.97 . . 2 . . . . . . . . . 7179 1 667 . 1 1 67 67 SER HB3 H 1 3.82 . . 2 . . . . . . . . . 7179 1 668 . 1 1 67 67 SER C C 13 174.36 . . 1 . . . . . . . . . 7179 1 669 . 1 1 67 67 SER CA C 13 58.34 . . 1 . . . . . . . . . 7179 1 670 . 1 1 67 67 SER CB C 13 64.44 . . 1 . . . . . . . . . 7179 1 671 . 1 1 67 67 SER N N 15 107.75 . . 1 . . . . . . . . . 7179 1 672 . 1 1 68 68 THR H H 1 7.67 . . 1 . . . . . . . . . 7179 1 673 . 1 1 68 68 THR HA H 1 4.94 . . 1 . . . . . . . . . 7179 1 674 . 1 1 68 68 THR HB H 1 4.39 . . 1 . . . . . . . . . 7179 1 675 . 1 1 68 68 THR HG21 H 1 1.12 . . 1 . . . . . . . . . 7179 1 676 . 1 1 68 68 THR HG22 H 1 1.12 . . 1 . . . . . . . . . 7179 1 677 . 1 1 68 68 THR HG23 H 1 1.12 . . 1 . . . . . . . . . 7179 1 678 . 1 1 68 68 THR CA C 13 56.94 . . 1 . . . . . . . . . 7179 1 679 . 1 1 68 68 THR CB C 13 71.7 . . 1 . . . . . . . . . 7179 1 680 . 1 1 68 68 THR CG2 C 13 20.12 . . 1 . . . . . . . . . 7179 1 681 . 1 1 68 68 THR N N 15 115.49 . . 1 . . . . . . . . . 7179 1 682 . 1 1 69 69 PRO HA H 1 5.05 . . 1 . . . . . . . . . 7179 1 683 . 1 1 69 69 PRO HB2 H 1 2.34 . . 2 . . . . . . . . . 7179 1 684 . 1 1 69 69 PRO HB3 H 1 1.75 . . 2 . . . . . . . . . 7179 1 685 . 1 1 69 69 PRO HG2 H 1 1.93 . . 2 . . . . . . . . . 7179 1 686 . 1 1 69 69 PRO HD2 H 1 3.84 . . 2 . . . . . . . . . 7179 1 687 . 1 1 69 69 PRO HD3 H 1 3.65 . . 2 . . . . . . . . . 7179 1 688 . 1 1 69 69 PRO C C 13 176.51 . . 1 . . . . . . . . . 7179 1 689 . 1 1 69 69 PRO CA C 13 62.1 . . 1 . . . . . . . . . 7179 1 690 . 1 1 69 69 PRO CB C 13 33.5 . . 1 . . . . . . . . . 7179 1 691 . 1 1 69 69 PRO CG C 13 26.71 . . 1 . . . . . . . . . 7179 1 692 . 1 1 69 69 PRO CD C 13 50.5 . . 1 . . . . . . . . . 7179 1 693 . 1 1 69 69 PRO N N 15 138.14 . . 1 . . . . . . . . . 7179 1 694 . 1 1 70 70 VAL H H 1 8.66 . . 1 . . . . . . . . . 7179 1 695 . 1 1 70 70 VAL HA H 1 4.42 . . 1 . . . . . . . . . 7179 1 696 . 1 1 70 70 VAL HB H 1 1.66 . . 1 . . . . . . . . . 7179 1 697 . 1 1 70 70 VAL HG11 H 1 0.9 . . 1 . . . . . . . . . 7179 1 698 . 1 1 70 70 VAL HG12 H 1 0.9 . . 1 . . . . . . . . . 7179 1 699 . 1 1 70 70 VAL HG13 H 1 0.9 . . 1 . . . . . . . . . 7179 1 700 . 1 1 70 70 VAL HG21 H 1 0.88 . . 1 . . . . . . . . . 7179 1 701 . 1 1 70 70 VAL HG22 H 1 0.88 . . 1 . . . . . . . . . 7179 1 702 . 1 1 70 70 VAL HG23 H 1 0.88 . . 1 . . . . . . . . . 7179 1 703 . 1 1 70 70 VAL C C 13 174.9 . . 1 . . . . . . . . . 7179 1 704 . 1 1 70 70 VAL CA C 13 61.16 . . 1 . . . . . . . . . 7179 1 705 . 1 1 70 70 VAL CB C 13 35.85 . . 1 . . . . . . . . . 7179 1 706 . 1 1 70 70 VAL CG1 C 13 20.26 . . 1 . . . . . . . . . 7179 1 707 . 1 1 70 70 VAL CG2 C 13 23.66 . . 1 . . . . . . . . . 7179 1 708 . 1 1 70 70 VAL N N 15 120.52 . . 1 . . . . . . . . . 7179 1 709 . 1 1 71 71 ASN H H 1 8.96 . . 1 . . . . . . . . . 7179 1 710 . 1 1 71 71 ASN HA H 1 5.02 . . 1 . . . . . . . . . 7179 1 711 . 1 1 71 71 ASN HB2 H 1 2.94 . . 2 . . . . . . . . . 7179 1 712 . 1 1 71 71 ASN HB3 H 1 2.73 . . 2 . . . . . . . . . 7179 1 713 . 1 1 71 71 ASN C C 13 175.08 . . 1 . . . . . . . . . 7179 1 714 . 1 1 71 71 ASN CA C 13 52.95 . . 1 . . . . . . . . . 7179 1 715 . 1 1 71 71 ASN CB C 13 38.66 . . 1 . . . . . . . . . 7179 1 716 . 1 1 71 71 ASN N N 15 128.12 . . 1 . . . . . . . . . 7179 1 717 . 1 1 72 72 THR H H 1 8.25 . . 1 . . . . . . . . . 7179 1 718 . 1 1 72 72 THR HA H 1 2.92 . . 1 . . . . . . . . . 7179 1 719 . 1 1 72 72 THR HB H 1 3.85 . . 1 . . . . . . . . . 7179 1 720 . 1 1 72 72 THR HG21 H 1 0.55 . . 1 . . . . . . . . . 7179 1 721 . 1 1 72 72 THR HG22 H 1 0.55 . . 1 . . . . . . . . . 7179 1 722 . 1 1 72 72 THR HG23 H 1 0.55 . . 1 . . . . . . . . . 7179 1 723 . 1 1 72 72 THR C C 13 174.36 . . 1 . . . . . . . . . 7179 1 724 . 1 1 72 72 THR CA C 13 61.16 . . 1 . . . . . . . . . 7179 1 725 . 1 1 72 72 THR CB C 13 68.66 . . 1 . . . . . . . . . 7179 1 726 . 1 1 72 72 THR CG2 C 13 21.2 . . 1 . . . . . . . . . 7179 1 727 . 1 1 72 72 THR N N 15 113.3 . . 1 . . . . . . . . . 7179 1 728 . 1 1 73 73 ASN H H 1 8.81 . . 1 . . . . . . . . . 7179 1 729 . 1 1 73 73 ASN HA H 1 4.15 . . 1 . . . . . . . . . 7179 1 730 . 1 1 73 73 ASN HB2 H 1 3.05 . . 2 . . . . . . . . . 7179 1 731 . 1 1 73 73 ASN HB3 H 1 2.97 . . 2 . . . . . . . . . 7179 1 732 . 1 1 73 73 ASN C C 13 173.83 . . 1 . . . . . . . . . 7179 1 733 . 1 1 73 73 ASN CA C 13 53.66 . . 1 . . . . . . . . . 7179 1 734 . 1 1 73 73 ASN CB C 13 37.25 . . 1 . . . . . . . . . 7179 1 735 . 1 1 73 73 ASN N N 15 114.46 . . 1 . . . . . . . . . 7179 1 736 . 1 1 74 74 GLN H H 1 7.18 . . 1 . . . . . . . . . 7179 1 737 . 1 1 74 74 GLN HA H 1 2.73 . . 1 . . . . . . . . . 7179 1 738 . 1 1 74 74 GLN HB2 H 1 1.21 . . 2 . . . . . . . . . 7179 1 739 . 1 1 74 74 GLN HG2 H 1 1.21 . . 2 . . . . . . . . . 7179 1 740 . 1 1 74 74 GLN HG3 H 1 0.88 . . 2 . . . . . . . . . 7179 1 741 . 1 1 74 74 GLN C C 13 174.72 . . 1 . . . . . . . . . 7179 1 742 . 1 1 74 74 GLN CA C 13 56.94 . . 1 . . . . . . . . . 7179 1 743 . 1 1 74 74 GLN CB C 13 27.64 . . 1 . . . . . . . . . 7179 1 744 . 1 1 74 74 GLN CG C 13 31.78 . . 1 . . . . . . . . . 7179 1 745 . 1 1 74 74 GLN N N 15 118.32 . . 1 . . . . . . . . . 7179 1 746 . 1 1 75 75 ASP H H 1 7.68 . . 1 . . . . . . . . . 7179 1 747 . 1 1 75 75 ASP HA H 1 4.45 . . 1 . . . . . . . . . 7179 1 748 . 1 1 75 75 ASP HB2 H 1 2.48 . . 2 . . . . . . . . . 7179 1 749 . 1 1 75 75 ASP HB3 H 1 2.37 . . 2 . . . . . . . . . 7179 1 750 . 1 1 75 75 ASP C C 13 177.4 . . 1 . . . . . . . . . 7179 1 751 . 1 1 75 75 ASP CA C 13 52.95 . . 1 . . . . . . . . . 7179 1 752 . 1 1 75 75 ASP CB C 13 40.3 . . 1 . . . . . . . . . 7179 1 753 . 1 1 75 75 ASP N N 15 125.16 . . 1 . . . . . . . . . 7179 1 754 . 1 1 76 76 ILE H H 1 8.69 . . 1 . . . . . . . . . 7179 1 755 . 1 1 76 76 ILE HA H 1 3.49 . . 1 . . . . . . . . . 7179 1 756 . 1 1 76 76 ILE HB H 1 1.88 . . 1 . . . . . . . . . 7179 1 757 . 1 1 76 76 ILE HG12 H 1 1.37 . . 2 . . . . . . . . . 7179 1 758 . 1 1 76 76 ILE HG21 H 1 0.81 . . 1 . . . . . . . . . 7179 1 759 . 1 1 76 76 ILE HG22 H 1 0.81 . . 1 . . . . . . . . . 7179 1 760 . 1 1 76 76 ILE HG23 H 1 0.81 . . 1 . . . . . . . . . 7179 1 761 . 1 1 76 76 ILE HD11 H 1 0.43 . . 1 . . . . . . . . . 7179 1 762 . 1 1 76 76 ILE HD12 H 1 0.43 . . 1 . . . . . . . . . 7179 1 763 . 1 1 76 76 ILE HD13 H 1 0.43 . . 1 . . . . . . . . . 7179 1 764 . 1 1 76 76 ILE C C 13 177.04 . . 1 . . . . . . . . . 7179 1 765 . 1 1 76 76 ILE CA C 13 62.33 . . 1 . . . . . . . . . 7179 1 766 . 1 1 76 76 ILE CB C 13 36.08 . . 1 . . . . . . . . . 7179 1 767 . 1 1 76 76 ILE CG1 C 13 26.85 . . 1 . . . . . . . . . 7179 1 768 . 1 1 76 76 ILE CG2 C 13 17.1 . . 1 . . . . . . . . . 7179 1 769 . 1 1 76 76 ILE CD1 C 13 8.91 . . 1 . . . . . . . . . 7179 1 770 . 1 1 76 76 ILE N N 15 133.79 . . 1 . . . . . . . . . 7179 1 771 . 1 1 77 77 ASN H H 1 8.02 . . 1 . . . . . . . . . 7179 1 772 . 1 1 77 77 ASN HA H 1 4.39 . . 1 . . . . . . . . . 7179 1 773 . 1 1 77 77 ASN HB2 H 1 2.84 . . 2 . . . . . . . . . 7179 1 774 . 1 1 77 77 ASN HB3 H 1 2.78 . . 2 . . . . . . . . . 7179 1 775 . 1 1 77 77 ASN C C 13 177.76 . . 1 . . . . . . . . . 7179 1 776 . 1 1 77 77 ASN CA C 13 56.47 . . 1 . . . . . . . . . 7179 1 777 . 1 1 77 77 ASN CB C 13 37.95 . . 1 . . . . . . . . . 7179 1 778 . 1 1 77 77 ASN N N 15 120.9 . . 1 . . . . . . . . . 7179 1 779 . 1 1 78 78 LYS H H 1 8.24 . . 1 . . . . . . . . . 7179 1 780 . 1 1 78 78 LYS HA H 1 3.82 . . 1 . . . . . . . . . 7179 1 781 . 1 1 78 78 LYS HB2 H 1 1.12 . . 2 . . . . . . . . . 7179 1 782 . 1 1 78 78 LYS HB3 H 1 0.88 . . 2 . . . . . . . . . 7179 1 783 . 1 1 78 78 LYS HG2 H 1 1.09 . . 2 . . . . . . . . . 7179 1 784 . 1 1 78 78 LYS HG3 H 1 0.88 . . 2 . . . . . . . . . 7179 1 785 . 1 1 78 78 LYS HD2 H 1 1.27 . . 2 . . . . . . . . . 7179 1 786 . 1 1 78 78 LYS HD3 H 1 0.47 . . 2 . . . . . . . . . 7179 1 787 . 1 1 78 78 LYS HE2 H 1 2.62 . . 2 . . . . . . . . . 7179 1 788 . 1 1 78 78 LYS C C 13 179.36 . . 1 . . . . . . . . . 7179 1 789 . 1 1 78 78 LYS CA C 13 59.52 . . 1 . . . . . . . . . 7179 1 790 . 1 1 78 78 LYS CB C 13 32.1 . . 1 . . . . . . . . . 7179 1 791 . 1 1 78 78 LYS CG C 13 25.07 . . 1 . . . . . . . . . 7179 1 792 . 1 1 78 78 LYS CD C 13 28.94 . . 1 . . . . . . . . . 7179 1 793 . 1 1 78 78 LYS CE C 13 40.54 . . 1 . . . . . . . . . 7179 1 794 . 1 1 78 78 LYS N N 15 121.29 . . 1 . . . . . . . . . 7179 1 795 . 1 1 79 79 THR H H 1 8.25 . . 1 . . . . . . . . . 7179 1 796 . 1 1 79 79 THR HA H 1 3.44 . . 1 . . . . . . . . . 7179 1 797 . 1 1 79 79 THR HB H 1 4.4 . . 1 . . . . . . . . . 7179 1 798 . 1 1 79 79 THR HG21 H 1 1.12 . . 1 . . . . . . . . . 7179 1 799 . 1 1 79 79 THR HG22 H 1 1.12 . . 1 . . . . . . . . . 7179 1 800 . 1 1 79 79 THR HG23 H 1 1.12 . . 1 . . . . . . . . . 7179 1 801 . 1 1 79 79 THR C C 13 174.9 . . 1 . . . . . . . . . 7179 1 802 . 1 1 79 79 THR CA C 13 68.42 . . 1 . . . . . . . . . 7179 1 803 . 1 1 79 79 THR CB C 13 68.5 . . 1 . . . . . . . . . 7179 1 804 . 1 1 79 79 THR CG2 C 13 19.75 . . 1 . . . . . . . . . 7179 1 805 . 1 1 79 79 THR N N 15 118.07 . . 1 . . . . . . . . . 7179 1 806 . 1 1 80 80 ASN H H 1 8.04 . . 1 . . . . . . . . . 7179 1 807 . 1 1 80 80 ASN HA H 1 4.45 . . 1 . . . . . . . . . 7179 1 808 . 1 1 80 80 ASN HB2 H 1 2.87 . . 2 . . . . . . . . . 7179 1 809 . 1 1 80 80 ASN HB3 H 1 2.8 . . 2 . . . . . . . . . 7179 1 810 . 1 1 80 80 ASN C C 13 175.97 . . 1 . . . . . . . . . 7179 1 811 . 1 1 80 80 ASN CA C 13 55.06 . . 1 . . . . . . . . . 7179 1 812 . 1 1 80 80 ASN CB C 13 38.19 . . 1 . . . . . . . . . 7179 1 813 . 1 1 80 80 ASN N N 15 118.71 . . 1 . . . . . . . . . 7179 1 814 . 1 1 81 81 LYS H H 1 7.97 . . 1 . . . . . . . . . 7179 1 815 . 1 1 81 81 LYS HA H 1 4.25 . . 1 . . . . . . . . . 7179 1 816 . 1 1 81 81 LYS HB2 H 1 1.85 . . 2 . . . . . . . . . 7179 1 817 . 1 1 81 81 LYS HG2 H 1 1.51 . . 2 . . . . . . . . . 7179 1 818 . 1 1 81 81 LYS HG3 H 1 1.44 . . 2 . . . . . . . . . 7179 1 819 . 1 1 81 81 LYS HD2 H 1 1.58 . . 2 . . . . . . . . . 7179 1 820 . 1 1 81 81 LYS HE2 H 1 2.9 . . 2 . . . . . . . . . 7179 1 821 . 1 1 81 81 LYS C C 13 177.4 . . 1 . . . . . . . . . 7179 1 822 . 1 1 81 81 LYS CA C 13 58.81 . . 1 . . . . . . . . . 7179 1 823 . 1 1 81 81 LYS CB C 13 34.03 . . 1 . . . . . . . . . 7179 1 824 . 1 1 81 81 LYS CG C 13 24.95 . . 1 . . . . . . . . . 7179 1 825 . 1 1 81 81 LYS CD C 13 28.82 . . 1 . . . . . . . . . 7179 1 826 . 1 1 81 81 LYS CE C 13 41.83 . . 1 . . . . . . . . . 7179 1 827 . 1 1 81 81 LYS N N 15 119.61 . . 1 . . . . . . . . . 7179 1 828 . 1 1 82 82 VAL H H 1 8.32 . . 1 . . . . . . . . . 7179 1 829 . 1 1 82 82 VAL HA H 1 4.61 . . 1 . . . . . . . . . 7179 1 830 . 1 1 82 82 VAL HB H 1 2.29 . . 1 . . . . . . . . . 7179 1 831 . 1 1 82 82 VAL HG11 H 1 1.02 . . 1 . . . . . . . . . 7179 1 832 . 1 1 82 82 VAL HG12 H 1 1.02 . . 1 . . . . . . . . . 7179 1 833 . 1 1 82 82 VAL HG13 H 1 1.02 . . 1 . . . . . . . . . 7179 1 834 . 1 1 82 82 VAL HG21 H 1 1.02 . . 1 . . . . . . . . . 7179 1 835 . 1 1 82 82 VAL HG22 H 1 1.02 . . 1 . . . . . . . . . 7179 1 836 . 1 1 82 82 VAL HG23 H 1 1.02 . . 1 . . . . . . . . . 7179 1 837 . 1 1 82 82 VAL C C 13 176.86 . . 1 . . . . . . . . . 7179 1 838 . 1 1 82 82 VAL CA C 13 61.39 . . 1 . . . . . . . . . 7179 1 839 . 1 1 82 82 VAL CB C 13 34 . . 1 . . . . . . . . . 7179 1 840 . 1 1 82 82 VAL CG1 C 13 19.56 . . 1 . . . . . . . . . 7179 1 841 . 1 1 82 82 VAL CG2 C 13 21.9 . . 1 . . . . . . . . . 7179 1 842 . 1 1 82 82 VAL N N 15 111.75 . . 1 . . . . . . . . . 7179 1 843 . 1 1 83 83 GLY H H 1 7.98 . . 1 . . . . . . . . . 7179 1 844 . 1 1 83 83 GLY HA2 H 1 4.47 . . 2 . . . . . . . . . 7179 1 845 . 1 1 83 83 GLY C C 13 172.93 . . 1 . . . . . . . . . 7179 1 846 . 1 1 83 83 GLY CA C 13 44.75 . . 1 . . . . . . . . . 7179 1 847 . 1 1 83 83 GLY N N 15 111.88 . . 1 . . . . . . . . . 7179 1 848 . 1 1 84 84 VAL H H 1 8.84 . . 1 . . . . . . . . . 7179 1 849 . 1 1 84 84 VAL HA H 1 4.09 . . 1 . . . . . . . . . 7179 1 850 . 1 1 84 84 VAL HB H 1 2.02 . . 1 . . . . . . . . . 7179 1 851 . 1 1 84 84 VAL HG11 H 1 0.9 . . 1 . . . . . . . . . 7179 1 852 . 1 1 84 84 VAL HG12 H 1 0.9 . . 1 . . . . . . . . . 7179 1 853 . 1 1 84 84 VAL HG13 H 1 0.9 . . 1 . . . . . . . . . 7179 1 854 . 1 1 84 84 VAL HG21 H 1 1.01 . . 1 . . . . . . . . . 7179 1 855 . 1 1 84 84 VAL HG22 H 1 1.01 . . 1 . . . . . . . . . 7179 1 856 . 1 1 84 84 VAL HG23 H 1 1.01 . . 1 . . . . . . . . . 7179 1 857 . 1 1 84 84 VAL C C 13 175.43 . . 1 . . . . . . . . . 7179 1 858 . 1 1 84 84 VAL CA C 13 62.8 . . 1 . . . . . . . . . 7179 1 859 . 1 1 84 84 VAL CB C 13 33.74 . . 1 . . . . . . . . . 7179 1 860 . 1 1 84 84 VAL CG1 C 13 21.67 . . 1 . . . . . . . . . 7179 1 861 . 1 1 84 84 VAL CG2 C 13 22.84 . . 1 . . . . . . . . . 7179 1 862 . 1 1 84 84 VAL N N 15 121.8 . . 1 . . . . . . . . . 7179 1 863 . 1 1 85 85 GLN H H 1 9.54 . . 1 . . . . . . . . . 7179 1 864 . 1 1 85 85 GLN HA H 1 4.17 . . 1 . . . . . . . . . 7179 1 865 . 1 1 85 85 GLN HB2 H 1 1.96 . . 2 . . . . . . . . . 7179 1 866 . 1 1 85 85 GLN HG2 H 1 2.5 . . 2 . . . . . . . . . 7179 1 867 . 1 1 85 85 GLN HG3 H 1 2.0 . . 2 . . . . . . . . . 7179 1 868 . 1 1 85 85 GLN C C 13 176.15 . . 1 . . . . . . . . . 7179 1 869 . 1 1 85 85 GLN CA C 13 58.11 . . 1 . . . . . . . . . 7179 1 870 . 1 1 85 85 GLN CB C 13 30.45 . . 1 . . . . . . . . . 7179 1 871 . 1 1 85 85 GLN CG C 13 34.21 . . 1 . . . . . . . . . 7179 1 872 . 1 1 85 85 GLN N N 15 131.6 . . 1 . . . . . . . . . 7179 1 873 . 1 1 86 86 LYS H H 1 7.94 . . 1 . . . . . . . . . 7179 1 874 . 1 1 86 86 LYS HA H 1 4.58 . . 1 . . . . . . . . . 7179 1 875 . 1 1 86 86 LYS HB2 H 1 1.77 . . 2 . . . . . . . . . 7179 1 876 . 1 1 86 86 LYS HG2 H 1 1.07 . . 2 . . . . . . . . . 7179 1 877 . 1 1 86 86 LYS HD2 H 1 1.28 . . 2 . . . . . . . . . 7179 1 878 . 1 1 86 86 LYS HE2 H 1 2.25 . . 2 . . . . . . . . . 7179 1 879 . 1 1 86 86 LYS C C 13 172.22 . . 1 . . . . . . . . . 7179 1 880 . 1 1 86 86 LYS CA C 13 55.3 . . 1 . . . . . . . . . 7179 1 881 . 1 1 86 86 LYS CB C 13 34.91 . . 1 . . . . . . . . . 7179 1 882 . 1 1 86 86 LYS CG C 13 23.9 . . 1 . . . . . . . . . 7179 1 883 . 1 1 86 86 LYS CD C 13 29.17 . . 1 . . . . . . . . . 7179 1 884 . 1 1 86 86 LYS CE C 13 41.24 . . 1 . . . . . . . . . 7179 1 885 . 1 1 86 86 LYS N N 15 115.36 . . 1 . . . . . . . . . 7179 1 886 . 1 1 87 87 TYR H H 1 8.42 . . 1 . . . . . . . . . 7179 1 887 . 1 1 87 87 TYR HA H 1 5.35 . . 1 . . . . . . . . . 7179 1 888 . 1 1 87 87 TYR HB2 H 1 2.81 . . 2 . . . . . . . . . 7179 1 889 . 1 1 87 87 TYR HB3 H 1 2.59 . . 2 . . . . . . . . . 7179 1 890 . 1 1 87 87 TYR HD1 H 1 6.43 . . 3 . . . . . . . . . 7179 1 891 . 1 1 87 87 TYR HE1 H 1 6.29 . . 3 . . . . . . . . . 7179 1 892 . 1 1 87 87 TYR C C 13 174.18 . . 1 . . . . . . . . . 7179 1 893 . 1 1 87 87 TYR CA C 13 55.77 . . 1 . . . . . . . . . 7179 1 894 . 1 1 87 87 TYR CB C 13 41.7 . . 1 . . . . . . . . . 7179 1 895 . 1 1 87 87 TYR CD1 C 13 133.03 . . 3 . . . . . . . . . 7179 1 896 . 1 1 87 87 TYR CE1 C 13 117.63 . . 3 . . . . . . . . . 7179 1 897 . 1 1 87 87 TYR N N 15 122.97 . . 1 . . . . . . . . . 7179 1 898 . 1 1 88 88 ARG H H 1 7.97 . . 1 . . . . . . . . . 7179 1 899 . 1 1 88 88 ARG HA H 1 4.34 . . 1 . . . . . . . . . 7179 1 900 . 1 1 88 88 ARG HB2 H 1 1.61 . . 2 . . . . . . . . . 7179 1 901 . 1 1 88 88 ARG HG2 H 1 1.61 . . 2 . . . . . . . . . 7179 1 902 . 1 1 88 88 ARG HG3 H 1 1.33 . . 2 . . . . . . . . . 7179 1 903 . 1 1 88 88 ARG HD2 H 1 3.18 . . 2 . . . . . . . . . 7179 1 904 . 1 1 88 88 ARG HD3 H 1 3.12 . . 2 . . . . . . . . . 7179 1 905 . 1 1 88 88 ARG C C 13 172.93 . . 1 . . . . . . . . . 7179 1 906 . 1 1 88 88 ARG CA C 13 54.13 . . 1 . . . . . . . . . 7179 1 907 . 1 1 88 88 ARG CB C 13 33.5 . . 1 . . . . . . . . . 7179 1 908 . 1 1 88 88 ARG CG C 13 26.47 . . 1 . . . . . . . . . 7179 1 909 . 1 1 88 88 ARG CD C 13 43.0 . . 1 . . . . . . . . . 7179 1 910 . 1 1 88 88 ARG N N 15 127.35 . . 1 . . . . . . . . . 7179 1 911 . 1 1 89 89 ALA H H 1 8.3 . . 1 . . . . . . . . . 7179 1 912 . 1 1 89 89 ALA HA H 1 4.96 . . 1 . . . . . . . . . 7179 1 913 . 1 1 89 89 ALA HB1 H 1 1.09 . . 1 . . . . . . . . . 7179 1 914 . 1 1 89 89 ALA HB2 H 1 1.09 . . 1 . . . . . . . . . 7179 1 915 . 1 1 89 89 ALA HB3 H 1 1.09 . . 1 . . . . . . . . . 7179 1 916 . 1 1 89 89 ALA C C 13 175.79 . . 1 . . . . . . . . . 7179 1 917 . 1 1 89 89 ALA CA C 13 50.84 . . 1 . . . . . . . . . 7179 1 918 . 1 1 89 89 ALA CB C 13 21.08 . . 1 . . . . . . . . . 7179 1 919 . 1 1 89 89 ALA N N 15 126.7 . . 1 . . . . . . . . . 7179 1 920 . 1 1 90 90 LEU H H 1 8.81 . . 1 . . . . . . . . . 7179 1 921 . 1 1 90 90 LEU HA H 1 4.64 . . 1 . . . . . . . . . 7179 1 922 . 1 1 90 90 LEU HB2 H 1 1.44 . . 2 . . . . . . . . . 7179 1 923 . 1 1 90 90 LEU HG H 1 1.37 . . 1 . . . . . . . . . 7179 1 924 . 1 1 90 90 LEU HD11 H 1 0.76 . . 2 . . . . . . . . . 7179 1 925 . 1 1 90 90 LEU HD12 H 1 0.76 . . 2 . . . . . . . . . 7179 1 926 . 1 1 90 90 LEU HD13 H 1 0.76 . . 2 . . . . . . . . . 7179 1 927 . 1 1 90 90 LEU C C 13 176.51 . . 1 . . . . . . . . . 7179 1 928 . 1 1 90 90 LEU CA C 13 54.13 . . 1 . . . . . . . . . 7179 1 929 . 1 1 90 90 LEU CB C 13 44.28 . . 1 . . . . . . . . . 7179 1 930 . 1 1 90 90 LEU CG C 13 26.94 . . 1 . . . . . . . . . 7179 1 931 . 1 1 90 90 LEU CD1 C 13 24.23 . . 2 . . . . . . . . . 7179 1 932 . 1 1 90 90 LEU N N 15 124.64 . . 1 . . . . . . . . . 7179 1 933 . 1 1 91 91 THR H H 1 8.31 . . 1 . . . . . . . . . 7179 1 934 . 1 1 91 91 THR HA H 1 5.4 . . 1 . . . . . . . . . 7179 1 935 . 1 1 91 91 THR HB H 1 3.41 . . 1 . . . . . . . . . 7179 1 936 . 1 1 91 91 THR HG21 H 1 0.76 . . 1 . . . . . . . . . 7179 1 937 . 1 1 91 91 THR HG22 H 1 0.76 . . 1 . . . . . . . . . 7179 1 938 . 1 1 91 91 THR HG23 H 1 0.76 . . 1 . . . . . . . . . 7179 1 939 . 1 1 91 91 THR C C 13 174.01 . . 1 . . . . . . . . . 7179 1 940 . 1 1 91 91 THR CA C 13 58.58 . . 1 . . . . . . . . . 7179 1 941 . 1 1 91 91 THR CB C 13 71.86 . . 1 . . . . . . . . . 7179 1 942 . 1 1 91 91 THR CG2 C 13 22.61 . . 1 . . . . . . . . . 7179 1 943 . 1 1 91 91 THR N N 15 114.71 . . 1 . . . . . . . . . 7179 1 944 . 1 1 92 92 GLU H H 1 8.35 . . 1 . . . . . . . . . 7179 1 945 . 1 1 92 92 GLU HA H 1 4.64 . . 1 . . . . . . . . . 7179 1 946 . 1 1 92 92 GLU HB2 H 1 2.07 . . 2 . . . . . . . . . 7179 1 947 . 1 1 92 92 GLU HB3 H 1 1.91 . . 2 . . . . . . . . . 7179 1 948 . 1 1 92 92 GLU HG2 H 1 2.21 . . 2 . . . . . . . . . 7179 1 949 . 1 1 92 92 GLU C C 13 175.26 . . 1 . . . . . . . . . 7179 1 950 . 1 1 92 92 GLU CA C 13 54.83 . . 1 . . . . . . . . . 7179 1 951 . 1 1 92 92 GLU CB C 13 34.2 . . 1 . . . . . . . . . 7179 1 952 . 1 1 92 92 GLU CG C 13 35.73 . . 1 . . . . . . . . . 7179 1 953 . 1 1 92 92 GLU N N 15 118.71 . . 1 . . . . . . . . . 7179 1 954 . 1 1 93 93 TRP H H 1 9.18 . . 1 . . . . . . . . . 7179 1 955 . 1 1 93 93 TRP HA H 1 4.94 . . 1 . . . . . . . . . 7179 1 956 . 1 1 93 93 TRP HB2 H 1 3.27 . . 2 . . . . . . . . . 7179 1 957 . 1 1 93 93 TRP HD1 H 1 7.5 . . 1 . . . . . . . . . 7179 1 958 . 1 1 93 93 TRP HE1 H 1 10.6 . . 1 . . . . . . . . . 7179 1 959 . 1 1 93 93 TRP HE3 H 1 7.87 . . 1 . . . . . . . . . 7179 1 960 . 1 1 93 93 TRP HZ2 H 1 7.44 . . 1 . . . . . . . . . 7179 1 961 . 1 1 93 93 TRP HZ3 H 1 7.34 . . 1 . . . . . . . . . 7179 1 962 . 1 1 93 93 TRP HH2 H 1 7.67 . . 1 . . . . . . . . . 7179 1 963 . 1 1 93 93 TRP C C 13 177.04 . . 1 . . . . . . . . . 7179 1 964 . 1 1 93 93 TRP CA C 13 58.81 . . 1 . . . . . . . . . 7179 1 965 . 1 1 93 93 TRP CB C 13 31.16 . . 1 . . . . . . . . . 7179 1 966 . 1 1 93 93 TRP CD1 C 13 128.84 . . 1 . . . . . . . . . 7179 1 967 . 1 1 93 93 TRP CE3 C 13 121.74 . . 1 . . . . . . . . . 7179 1 968 . 1 1 93 93 TRP CZ2 C 13 113.61 . . 1 . . . . . . . . . 7179 1 969 . 1 1 93 93 TRP CZ3 C 13 123.61 . . 1 . . . . . . . . . 7179 1 970 . 1 1 93 93 TRP CH2 C 13 125.48 . . 1 . . . . . . . . . 7179 1 971 . 1 1 93 93 TRP N N 15 124.0 . . 1 . . . . . . . . . 7179 1 972 . 1 1 93 93 TRP NE1 N 15 130.83 . . 1 . . . . . . . . . 7179 1 973 . 1 1 94 94 VAL H H 1 8.53 . . 1 . . . . . . . . . 7179 1 974 . 1 1 94 94 VAL HA H 1 4.39 . . 1 . . . . . . . . . 7179 1 975 . 1 1 94 94 VAL HB H 1 1.82 . . 1 . . . . . . . . . 7179 1 976 . 1 1 94 94 VAL HG11 H 1 0.61 . . 2 . . . . . . . . . 7179 1 977 . 1 1 94 94 VAL HG12 H 1 0.61 . . 2 . . . . . . . . . 7179 1 978 . 1 1 94 94 VAL HG13 H 1 0.61 . . 2 . . . . . . . . . 7179 1 979 . 1 1 94 94 VAL HG21 H 1 0.95 . . 2 . . . . . . . . . 7179 1 980 . 1 1 94 94 VAL HG22 H 1 0.95 . . 2 . . . . . . . . . 7179 1 981 . 1 1 94 94 VAL HG23 H 1 0.95 . . 2 . . . . . . . . . 7179 1 982 . 1 1 94 94 VAL C C 13 176.15 . . 1 . . . . . . . . . 7179 1 983 . 1 1 94 94 VAL CA C 13 61.63 . . 1 . . . . . . . . . 7179 1 984 . 1 1 94 94 VAL CB C 13 32.53 . . 1 . . . . . . . . . 7179 1 985 . 1 1 94 94 VAL CG1 C 13 21.24 . . 2 . . . . . . . . . 7179 1 986 . 1 1 94 94 VAL CG2 C 13 21.44 . . 2 . . . . . . . . . 7179 1 987 . 1 1 94 94 VAL N N 15 121.42 . . 1 . . . . . . . . . 7179 1 988 . 1 1 95 95 GLY H H 1 8.95 . . 1 . . . . . . . . . 7179 1 989 . 1 1 95 95 GLY HA2 H 1 4.28 . . 2 . . . . . . . . . 7179 1 990 . 1 1 95 95 GLY HA3 H 1 4.07 . . 2 . . . . . . . . . 7179 1 991 . 1 1 95 95 GLY C C 13 173.29 . . 1 . . . . . . . . . 7179 1 992 . 1 1 95 95 GLY CA C 13 45.45 . . 1 . . . . . . . . . 7179 1 993 . 1 1 95 95 GLY N N 15 115.62 . . 1 . . . . . . . . . 7179 1 994 . 1 1 96 96 SER H H 1 7.97 . . 1 . . . . . . . . . 7179 1 995 . 1 1 96 96 SER HA H 1 4.36 . . 1 . . . . . . . . . 7179 1 996 . 1 1 96 96 SER HB2 H 1 3.76 . . 2 . . . . . . . . . 7179 1 997 . 1 1 96 96 SER C C 13 174.54 . . 1 . . . . . . . . . 7179 1 998 . 1 1 96 96 SER CA C 13 58.34 . . 1 . . . . . . . . . 7179 1 999 . 1 1 96 96 SER CB C 13 63.74 . . 1 . . . . . . . . . 7179 1 1000 . 1 1 96 96 SER N N 15 116.26 . . 1 . . . . . . . . . 7179 1 1001 . 1 1 97 97 ARG H H 1 8.54 . . 1 . . . . . . . . . 7179 1 1002 . 1 1 97 97 ARG HA H 1 4.39 . . 1 . . . . . . . . . 7179 1 1003 . 1 1 97 97 ARG C C 13 176.15 . . 1 . . . . . . . . . 7179 1 1004 . 1 1 97 97 ARG CA C 13 56 . . 1 . . . . . . . . . 7179 1 1005 . 1 1 97 97 ARG CB C 13 30.69 . . 1 . . . . . . . . . 7179 1 1006 . 1 1 97 97 ARG CG C 13 26.47 . . 1 . . . . . . . . . 7179 1 1007 . 1 1 97 97 ARG CD C 13 43.12 . . 1 . . . . . . . . . 7179 1 1008 . 1 1 97 97 ARG N N 15 123.09 . . 1 . . . . . . . . . 7179 1 1009 . 1 1 98 98 SER H H 1 8.31 . . 1 . . . . . . . . . 7179 1 1010 . 1 1 98 98 SER HA H 1 4.36 . . 1 . . . . . . . . . 7179 1 1011 . 1 1 98 98 SER HB2 H 1 3.79 . . 2 . . . . . . . . . 7179 1 1012 . 1 1 98 98 SER HB3 H 1 1.25 . . 2 . . . . . . . . . 7179 1 1013 . 1 1 98 98 SER CA C 13 58.34 . . 1 . . . . . . . . . 7179 1 1014 . 1 1 98 98 SER CB C 13 63.74 . . 1 . . . . . . . . . 7179 1 1015 . 1 1 98 98 SER N N 15 117.42 . . 1 . . . . . . . . . 7179 1 stop_ save_