data_6419 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6419 _Entry.Title ; Structure of the C-terminal Domain from Trypanosoma brucei Variant Surface Glycoprotein MITat1.2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-12-10 _Entry.Accession_date 2004-12-10 _Entry.Last_release_date 2004-12-10 _Entry.Original_release_date 2004-12-10 _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 A. Chattopadhyay . . . . 6419 2 N. Jones . G. . . 6419 3 D. Nietlispach . . . . 6419 4 P. Nielsen . R. . . 6419 5 H. Voorheis . P. . . 6419 6 H. Mott . R. . . 6419 7 M. Carrington . . . . 6419 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6419 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 231 6419 '15N chemical shifts' 79 6419 '1H chemical shifts' 433 6419 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-04-26 . original BMRB . 6419 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6419 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15557330 _Citation.Full_citation . _Citation.Title ; Structure of the C-terminal Domain from Trypanosoma brucei Variant Surface Glycoprotein MITat1.2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 280 _Citation.Journal_issue 8 _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 7228 _Citation.Page_last 7235 _Citation.Year 2005 _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 A. Chattopadhyay . . . . 6419 1 2 N. Jones . G. . . 6419 1 3 D. Nietlispach . . . . 6419 1 4 P. Nielsen . R. . . 6419 1 5 H. Voorheis . P. . . 6419 1 6 H. Mott . R. . . 6419 1 7 M. Carrington . . . . 6419 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cysteine knot' 6419 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MITAT _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MITAT _Assembly.Entry_ID 6419 _Assembly.ID 1 _Assembly.Name 'Variant surface glycoprotein MITAT 1.2' _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 bound' _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 6419 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 'Variant surface glycoprotein MITAT 1.2' 1 $MITAT . . . native . . . . . 6419 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 28 28 SG . 1 . 1 CYS 40 40 SG . . . . . . . . . . . . 6419 1 2 disulfide single . 1 . 1 CYS 36 36 SG . 1 . 1 CYS 51 51 SG . . . . . . . . . . . . 6419 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 1XU6 . . . . . . 6419 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Variant surface glycoprotein MITAT 1.2' abbreviation 6419 1 'Variant surface glycoprotein MITAT 1.2' system 6419 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MITAT _Entity.Sf_category entity _Entity.Sf_framecode MITAT _Entity.Entry_ID 6419 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Variant surface glycoprotein MITAT 1.2' _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 ; GSHMLEVLTQKHKPAESQQQ AAETEGSCNKKDQNECKSPC KWHNDAENKKCTLDKEEAKK VADETAKDGKTGNTNTTGSS ; _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 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 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 . . PDB 1XU6 . 'Structure Of The C-Terminal Domain From Trypanosoma Brucei Variant Surface Glycoprotein Mitat1.2' . . . . . 100.00 80 100.00 100.00 5.60e-38 . . . . 6419 1 . . EMBL CAA40081 . 'variant surface glycoprotein MITat 1.2 [Trypanosoma brucei]' . . . . . 95.00 476 98.68 98.68 1.22e-36 . . . . 6419 1 . . EMBL CAQ57294 . 'variant surface glycoprotein [Trypanosoma brucei brucei]' . . . . . 95.00 476 98.68 98.68 1.22e-36 . . . . 6419 1 . . SWISS-PROT P26332 . 'Variant surface glycoprotein MITAT 1.2 precursor (VSG 221)' . . . . . 95.00 476 98.68 98.68 1.22e-36 . . . . 6419 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Variant surface glycoprotein MITAT 1.2' abbreviation 6419 1 'Variant surface glycoprotein MITAT 1.2' common 6419 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 . 6419 1 2 . SER . 6419 1 3 . HIS . 6419 1 4 . MET . 6419 1 5 . LEU . 6419 1 6 . GLU . 6419 1 7 . VAL . 6419 1 8 . LEU . 6419 1 9 . THR . 6419 1 10 . GLN . 6419 1 11 . LYS . 6419 1 12 . HIS . 6419 1 13 . LYS . 6419 1 14 . PRO . 6419 1 15 . ALA . 6419 1 16 . GLU . 6419 1 17 . SER . 6419 1 18 . GLN . 6419 1 19 . GLN . 6419 1 20 . GLN . 6419 1 21 . ALA . 6419 1 22 . ALA . 6419 1 23 . GLU . 6419 1 24 . THR . 6419 1 25 . GLU . 6419 1 26 . GLY . 6419 1 27 . SER . 6419 1 28 . CYS . 6419 1 29 . ASN . 6419 1 30 . LYS . 6419 1 31 . LYS . 6419 1 32 . ASP . 6419 1 33 . GLN . 6419 1 34 . ASN . 6419 1 35 . GLU . 6419 1 36 . CYS . 6419 1 37 . LYS . 6419 1 38 . SER . 6419 1 39 . PRO . 6419 1 40 . CYS . 6419 1 41 . LYS . 6419 1 42 . TRP . 6419 1 43 . HIS . 6419 1 44 . ASN . 6419 1 45 . ASP . 6419 1 46 . ALA . 6419 1 47 . GLU . 6419 1 48 . ASN . 6419 1 49 . LYS . 6419 1 50 . LYS . 6419 1 51 . CYS . 6419 1 52 . THR . 6419 1 53 . LEU . 6419 1 54 . ASP . 6419 1 55 . LYS . 6419 1 56 . GLU . 6419 1 57 . GLU . 6419 1 58 . ALA . 6419 1 59 . LYS . 6419 1 60 . LYS . 6419 1 61 . VAL . 6419 1 62 . ALA . 6419 1 63 . ASP . 6419 1 64 . GLU . 6419 1 65 . THR . 6419 1 66 . ALA . 6419 1 67 . LYS . 6419 1 68 . ASP . 6419 1 69 . GLY . 6419 1 70 . LYS . 6419 1 71 . THR . 6419 1 72 . GLY . 6419 1 73 . ASN . 6419 1 74 . THR . 6419 1 75 . ASN . 6419 1 76 . THR . 6419 1 77 . THR . 6419 1 78 . GLY . 6419 1 79 . SER . 6419 1 80 . SER . 6419 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 6419 1 . SER 2 2 6419 1 . HIS 3 3 6419 1 . MET 4 4 6419 1 . LEU 5 5 6419 1 . GLU 6 6 6419 1 . VAL 7 7 6419 1 . LEU 8 8 6419 1 . THR 9 9 6419 1 . GLN 10 10 6419 1 . LYS 11 11 6419 1 . HIS 12 12 6419 1 . LYS 13 13 6419 1 . PRO 14 14 6419 1 . ALA 15 15 6419 1 . GLU 16 16 6419 1 . SER 17 17 6419 1 . GLN 18 18 6419 1 . GLN 19 19 6419 1 . GLN 20 20 6419 1 . ALA 21 21 6419 1 . ALA 22 22 6419 1 . GLU 23 23 6419 1 . THR 24 24 6419 1 . GLU 25 25 6419 1 . GLY 26 26 6419 1 . SER 27 27 6419 1 . CYS 28 28 6419 1 . ASN 29 29 6419 1 . LYS 30 30 6419 1 . LYS 31 31 6419 1 . ASP 32 32 6419 1 . GLN 33 33 6419 1 . ASN 34 34 6419 1 . GLU 35 35 6419 1 . CYS 36 36 6419 1 . LYS 37 37 6419 1 . SER 38 38 6419 1 . PRO 39 39 6419 1 . CYS 40 40 6419 1 . LYS 41 41 6419 1 . TRP 42 42 6419 1 . HIS 43 43 6419 1 . ASN 44 44 6419 1 . ASP 45 45 6419 1 . ALA 46 46 6419 1 . GLU 47 47 6419 1 . ASN 48 48 6419 1 . LYS 49 49 6419 1 . LYS 50 50 6419 1 . CYS 51 51 6419 1 . THR 52 52 6419 1 . LEU 53 53 6419 1 . ASP 54 54 6419 1 . LYS 55 55 6419 1 . GLU 56 56 6419 1 . GLU 57 57 6419 1 . ALA 58 58 6419 1 . LYS 59 59 6419 1 . LYS 60 60 6419 1 . VAL 61 61 6419 1 . ALA 62 62 6419 1 . ASP 63 63 6419 1 . GLU 64 64 6419 1 . THR 65 65 6419 1 . ALA 66 66 6419 1 . LYS 67 67 6419 1 . ASP 68 68 6419 1 . GLY 69 69 6419 1 . LYS 70 70 6419 1 . THR 71 71 6419 1 . GLY 72 72 6419 1 . ASN 73 73 6419 1 . THR 74 74 6419 1 . ASN 75 75 6419 1 . THR 76 76 6419 1 . THR 77 77 6419 1 . GLY 78 78 6419 1 . SER 79 79 6419 1 . SER 80 80 6419 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 6419 _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 $MITAT . 5691 . . 'Trypanosoma brucei' 'Trypanosoma brucei' . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . . . 6419 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 6419 _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 $MITAT . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 TrxB' . . . . . pET15b . . . 6419 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6419 _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 'Variant surface glycoprotein MITAT 1.2' [U-15N] . . 1 $MITAT . . 1 . . mM . . . . 6419 1 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 6419 1 3 'sodium chloride' . . . . . . . 100 . . mM . . . . 6419 1 4 'sodium azide' . . . . . . . 0.05 . . % . . . . 6419 1 5 H2O . . . . . . . 90 . . % . . . . 6419 1 6 D2O . . . . . . . 10 . . % . . . . 6419 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6419 _Sample.ID 2 _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 'Variant surface glycoprotein MITAT 1.2' '[U-13C; U-15N]' . . 1 $MITAT . . 1 . . mM . . . . 6419 2 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 6419 2 3 'sodium chloride' . . . . . . . 100 . . mM . . . . 6419 2 4 'sodium azide' . . . . . . . 0.05 . . % . . . . 6419 2 5 H2O . . . . . . . 90 . . % . . . . 6419 2 6 D2O . . . . . . . 10 . . % . . . . 6419 2 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 6419 _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 . pH 6419 1 pressure 1 . atm 6419 1 temperature 298 . K 6419 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 6419 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version 1.1 _Software.DOI . _Software.Details NILGES loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6419 1 'structure solution' 6419 1 stop_ save_ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 6419 _Software.ID 2 _Software.Type . _Software.Name AZARA _Software.Version 2.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6419 2 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 6419 _Software.ID 3 _Software.Type . _Software.Name ANSIG _Software.Version 3.3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6419 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6419 _Software.ID 4 _Software.Type . _Software.Name CNS _Software.Version 1.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6419 4 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 6419 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DRX _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 6419 _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 DRX . 600 . . . 6419 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 6419 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-SEPARATED NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6419 1 2 '3D 13C-SEPARATED NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6419 1 3 CLEANEX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6419 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 6419 _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 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 6419 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 6419 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 6419 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 6419 _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 '3D 15N-SEPARATED NOESY' . . . 6419 1 2 '3D 13C-SEPARATED NOESY' . . . 6419 1 3 CLEANEX . . . 6419 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 SER CA C 13 58.29 0.120 . 1 . . . . . . . . . 6419 1 2 . 1 1 2 2 SER HA H 1 4.40 0.014 . 1 . . . . . . . . . 6419 1 3 . 1 1 2 2 SER CB C 13 63.75 0.000 . 1 . . . . . . . . . 6419 1 4 . 1 1 2 2 SER HB2 H 1 3.74 0.006 . 2 . . . . . . . . . 6419 1 5 . 1 1 3 3 HIS N N 15 120.99 0.010 . 1 . . . . . . . . . 6419 1 6 . 1 1 3 3 HIS H H 1 8.62 0.002 . 1 . . . . . . . . . 6419 1 7 . 1 1 3 3 HIS CA C 13 55.74 0.060 . 1 . . . . . . . . . 6419 1 8 . 1 1 3 3 HIS HA H 1 4.61 0.002 . 1 . . . . . . . . . 6419 1 9 . 1 1 3 3 HIS CB C 13 29.27 0.070 . 1 . . . . . . . . . 6419 1 10 . 1 1 3 3 HIS HB2 H 1 3.06 0.000 . 1 . . . . . . . . . 6419 1 11 . 1 1 3 3 HIS HB3 H 1 3.17 0.000 . 1 . . . . . . . . . 6419 1 12 . 1 1 4 4 MET N N 15 121.10 0.050 . 1 . . . . . . . . . 6419 1 13 . 1 1 4 4 MET H H 1 8.31 0.007 . 1 . . . . . . . . . 6419 1 14 . 1 1 4 4 MET CA C 13 55.73 0.040 . 1 . . . . . . . . . 6419 1 15 . 1 1 4 4 MET HA H 1 4.33 0.005 . 1 . . . . . . . . . 6419 1 16 . 1 1 4 4 MET CB C 13 32.58 0.060 . 1 . . . . . . . . . 6419 1 17 . 1 1 4 4 MET HB2 H 1 1.91 0.006 . 1 . . . . . . . . . 6419 1 18 . 1 1 4 4 MET HB3 H 1 1.98 0.003 . 1 . . . . . . . . . 6419 1 19 . 1 1 4 4 MET CG C 13 31.67 0.070 . 1 . . . . . . . . . 6419 1 20 . 1 1 4 4 MET HG2 H 1 2.43 0.008 . 1 . . . . . . . . . 6419 1 21 . 1 1 4 4 MET HG3 H 1 2.48 0.004 . 1 . . . . . . . . . 6419 1 22 . 1 1 4 4 MET CE C 13 16.78 0.000 . 1 . . . . . . . . . 6419 1 23 . 1 1 4 4 MET HE1 H 1 2.03 0.000 . 1 . . . . . . . . . 6419 1 24 . 1 1 4 4 MET HE2 H 1 2.03 0.000 . 1 . . . . . . . . . 6419 1 25 . 1 1 4 4 MET HE3 H 1 2.03 0.000 . 1 . . . . . . . . . 6419 1 26 . 1 1 5 5 LEU N N 15 122.60 0.050 . 1 . . . . . . . . . 6419 1 27 . 1 1 5 5 LEU H H 1 8.18 0.002 . 1 . . . . . . . . . 6419 1 28 . 1 1 5 5 LEU CA C 13 55.31 0.060 . 1 . . . . . . . . . 6419 1 29 . 1 1 5 5 LEU HA H 1 4.23 0.008 . 1 . . . . . . . . . 6419 1 30 . 1 1 5 5 LEU CB C 13 42.12 0.010 . 1 . . . . . . . . . 6419 1 31 . 1 1 5 5 LEU HB2 H 1 1.90 0.000 . 1 . . . . . . . . . 6419 1 32 . 1 1 5 5 LEU HB3 H 1 2.00 0.000 . 1 . . . . . . . . . 6419 1 33 . 1 1 5 5 LEU CG C 13 26.81 0.110 . 1 . . . . . . . . . 6419 1 34 . 1 1 5 5 LEU HG H 1 1.54 0.008 . 1 . . . . . . . . . 6419 1 35 . 1 1 5 5 LEU CD1 C 13 23.11 0.010 . 1 . . . . . . . . . 6419 1 36 . 1 1 5 5 LEU HD11 H 1 0.79 0.007 . 2 . . . . . . . . . 6419 1 37 . 1 1 5 5 LEU HD12 H 1 0.79 0.007 . 2 . . . . . . . . . 6419 1 38 . 1 1 5 5 LEU HD13 H 1 0.79 0.007 . 2 . . . . . . . . . 6419 1 39 . 1 1 5 5 LEU CD2 C 13 24.67 0.010 . 1 . . . . . . . . . 6419 1 40 . 1 1 5 5 LEU HD21 H 1 0.85 0.004 . 2 . . . . . . . . . 6419 1 41 . 1 1 5 5 LEU HD22 H 1 0.85 0.004 . 2 . . . . . . . . . 6419 1 42 . 1 1 5 5 LEU HD23 H 1 0.85 0.004 . 2 . . . . . . . . . 6419 1 43 . 1 1 6 6 GLU N N 15 121.80 0.060 . 1 . . . . . . . . . 6419 1 44 . 1 1 6 6 GLU H H 1 8.26 0.002 . 1 . . . . . . . . . 6419 1 45 . 1 1 6 6 GLU CA C 13 56.62 0.020 . 1 . . . . . . . . . 6419 1 46 . 1 1 6 6 GLU HA H 1 4.19 0.006 . 1 . . . . . . . . . 6419 1 47 . 1 1 6 6 GLU CB C 13 30.14 0.020 . 1 . . . . . . . . . 6419 1 48 . 1 1 6 6 GLU CG C 13 35.96 0.020 . 1 . . . . . . . . . 6419 1 49 . 1 1 6 6 GLU HG2 H 1 2.15 0.011 . 1 . . . . . . . . . 6419 1 50 . 1 1 6 6 GLU HG3 H 1 2.24 0.013 . 1 . . . . . . . . . 6419 1 51 . 1 1 6 6 GLU HB2 H 1 1.90 0.010 . 2 . . . . . . . . . 6419 1 52 . 1 1 7 7 VAL N N 15 120.84 0.060 . 1 . . . . . . . . . 6419 1 53 . 1 1 7 7 VAL H H 1 8.05 0.005 . 1 . . . . . . . . . 6419 1 54 . 1 1 7 7 VAL CA C 13 62.40 0.060 . 1 . . . . . . . . . 6419 1 55 . 1 1 7 7 VAL HA H 1 3.98 0.008 . 1 . . . . . . . . . 6419 1 56 . 1 1 7 7 VAL CB C 13 32.41 0.040 . 1 . . . . . . . . . 6419 1 57 . 1 1 7 7 VAL HB H 1 1.99 0.004 . 1 . . . . . . . . . 6419 1 58 . 1 1 7 7 VAL CG1 C 13 20.69 0.090 . 2 . . . . . . . . . 6419 1 59 . 1 1 7 7 VAL HG11 H 1 0.84 0.004 . 2 . . . . . . . . . 6419 1 60 . 1 1 7 7 VAL HG12 H 1 0.84 0.004 . 2 . . . . . . . . . 6419 1 61 . 1 1 7 7 VAL HG13 H 1 0.84 0.004 . 2 . . . . . . . . . 6419 1 62 . 1 1 8 8 LEU N N 15 124.89 0.050 . 1 . . . . . . . . . 6419 1 63 . 1 1 8 8 LEU H H 1 8.23 0.003 . 1 . . . . . . . . . 6419 1 64 . 1 1 8 8 LEU CA C 13 55.24 0.010 . 1 . . . . . . . . . 6419 1 65 . 1 1 8 8 LEU HA H 1 4.33 0.004 . 1 . . . . . . . . . 6419 1 66 . 1 1 8 8 LEU CB C 13 42.13 0.030 . 1 . . . . . . . . . 6419 1 67 . 1 1 8 8 LEU HB2 H 1 1.53 0.006 . 1 . . . . . . . . . 6419 1 68 . 1 1 8 8 LEU HB3 H 1 1.61 0.004 . 1 . . . . . . . . . 6419 1 69 . 1 1 8 8 LEU CG C 13 26.75 0.090 . 1 . . . . . . . . . 6419 1 70 . 1 1 8 8 LEU HG H 1 1.55 0.013 . 1 . . . . . . . . . 6419 1 71 . 1 1 8 8 LEU CD1 C 13 22.99 0.020 . 1 . . . . . . . . . 6419 1 72 . 1 1 8 8 LEU HD11 H 1 0.78 0.002 . 2 . . . . . . . . . 6419 1 73 . 1 1 8 8 LEU HD12 H 1 0.78 0.002 . 2 . . . . . . . . . 6419 1 74 . 1 1 8 8 LEU HD13 H 1 0.78 0.002 . 2 . . . . . . . . . 6419 1 75 . 1 1 8 8 LEU CD2 C 13 24.68 0.030 . 1 . . . . . . . . . 6419 1 76 . 1 1 8 8 LEU HD21 H 1 0.85 0.003 . 2 . . . . . . . . . 6419 1 77 . 1 1 8 8 LEU HD22 H 1 0.85 0.003 . 2 . . . . . . . . . 6419 1 78 . 1 1 8 8 LEU HD23 H 1 0.85 0.003 . 2 . . . . . . . . . 6419 1 79 . 1 1 9 9 THR N N 15 114.07 0.050 . 1 . . . . . . . . . 6419 1 80 . 1 1 9 9 THR H H 1 7.97 0.003 . 1 . . . . . . . . . 6419 1 81 . 1 1 9 9 THR CA C 13 61.79 0.050 . 1 . . . . . . . . . 6419 1 82 . 1 1 9 9 THR HA H 1 4.21 0.012 . 1 . . . . . . . . . 6419 1 83 . 1 1 9 9 THR CB C 13 69.77 0.120 . 1 . . . . . . . . . 6419 1 84 . 1 1 9 9 THR HB H 1 4.13 0.002 . 1 . . . . . . . . . 6419 1 85 . 1 1 9 9 THR CG2 C 13 21.40 0.000 . 1 . . . . . . . . . 6419 1 86 . 1 1 9 9 THR HG21 H 1 1.12 0.004 . 1 . . . . . . . . . 6419 1 87 . 1 1 9 9 THR HG22 H 1 1.12 0.004 . 1 . . . . . . . . . 6419 1 88 . 1 1 9 9 THR HG23 H 1 1.12 0.004 . 1 . . . . . . . . . 6419 1 89 . 1 1 10 10 GLN N N 15 121.96 0.040 . 1 . . . . . . . . . 6419 1 90 . 1 1 10 10 GLN H H 1 8.19 0.004 . 1 . . . . . . . . . 6419 1 91 . 1 1 10 10 GLN CA C 13 55.62 0.040 . 1 . . . . . . . . . 6419 1 92 . 1 1 10 10 GLN HA H 1 4.23 0.006 . 1 . . . . . . . . . 6419 1 93 . 1 1 10 10 GLN CB C 13 29.27 0.060 . 1 . . . . . . . . . 6419 1 94 . 1 1 10 10 GLN HB2 H 1 1.89 0.007 . 1 . . . . . . . . . 6419 1 95 . 1 1 10 10 GLN HB3 H 1 2.00 0.002 . 1 . . . . . . . . . 6419 1 96 . 1 1 10 10 GLN CG C 13 33.59 0.090 . 1 . . . . . . . . . 6419 1 97 . 1 1 10 10 GLN HG2 H 1 2.26 0.013 . 2 . . . . . . . . . 6419 1 98 . 1 1 11 11 LYS N N 15 121.90 0.050 . 1 . . . . . . . . . 6419 1 99 . 1 1 11 11 LYS H H 1 8.22 0.004 . 1 . . . . . . . . . 6419 1 100 . 1 1 11 11 LYS CA C 13 56.19 0.050 . 1 . . . . . . . . . 6419 1 101 . 1 1 11 11 LYS HA H 1 4.17 0.010 . 1 . . . . . . . . . 6419 1 102 . 1 1 11 11 LYS CB C 13 32.73 0.040 . 1 . . . . . . . . . 6419 1 103 . 1 1 11 11 LYS HB2 H 1 1.74 0.003 . 1 . . . . . . . . . 6419 1 104 . 1 1 11 11 LYS HB3 H 1 1.79 0.004 . 1 . . . . . . . . . 6419 1 105 . 1 1 11 11 LYS CG C 13 24.52 0.020 . 1 . . . . . . . . . 6419 1 106 . 1 1 11 11 LYS HG2 H 1 1.29 0.012 . 1 . . . . . . . . . 6419 1 107 . 1 1 11 11 LYS HG3 H 1 1.41 0.005 . 1 . . . . . . . . . 6419 1 108 . 1 1 11 11 LYS CD C 13 28.95 0.010 . 1 . . . . . . . . . 6419 1 109 . 1 1 11 11 LYS CE C 13 41.90 0.010 . 1 . . . . . . . . . 6419 1 110 . 1 1 11 11 LYS HD2 H 1 1.61 0.011 . 2 . . . . . . . . . 6419 1 111 . 1 1 11 11 LYS HE2 H 1 2.89 0.008 . 2 . . . . . . . . . 6419 1 112 . 1 1 12 12 HIS N N 15 119.46 0.060 . 1 . . . . . . . . . 6419 1 113 . 1 1 12 12 HIS H H 1 8.33 0.005 . 1 . . . . . . . . . 6419 1 114 . 1 1 12 12 HIS CA C 13 55.21 0.020 . 1 . . . . . . . . . 6419 1 115 . 1 1 12 12 HIS HA H 1 4.59 0.013 . 1 . . . . . . . . . 6419 1 116 . 1 1 12 12 HIS CB C 13 29.61 0.100 . 1 . . . . . . . . . 6419 1 117 . 1 1 12 12 HIS HB2 H 1 3.04 0.003 . 1 . . . . . . . . . 6419 1 118 . 1 1 12 12 HIS HB3 H 1 3.10 0.005 . 1 . . . . . . . . . 6419 1 119 . 1 1 13 13 LYS N N 15 124.23 0.050 . 1 . . . . . . . . . 6419 1 120 . 1 1 13 13 LYS H H 1 8.33 0.005 . 1 . . . . . . . . . 6419 1 121 . 1 1 13 13 LYS CA C 13 54.21 0.070 . 1 . . . . . . . . . 6419 1 122 . 1 1 13 13 LYS HA H 1 4.50 0.003 . 1 . . . . . . . . . 6419 1 123 . 1 1 13 13 LYS CB C 13 32.38 0.070 . 1 . . . . . . . . . 6419 1 124 . 1 1 13 13 LYS HB2 H 1 1.64 0.001 . 1 . . . . . . . . . 6419 1 125 . 1 1 13 13 LYS HB3 H 1 1.74 0.001 . 1 . . . . . . . . . 6419 1 126 . 1 1 13 13 LYS CG C 13 24.55 0.010 . 1 . . . . . . . . . 6419 1 127 . 1 1 13 13 LYS CD C 13 28.93 0.010 . 1 . . . . . . . . . 6419 1 128 . 1 1 13 13 LYS CE C 13 42.00 0.010 . 1 . . . . . . . . . 6419 1 129 . 1 1 13 13 LYS HG2 H 1 1.36 0.004 . 2 . . . . . . . . . 6419 1 130 . 1 1 13 13 LYS HD2 H 1 1.60 0.006 . 2 . . . . . . . . . 6419 1 131 . 1 1 13 13 LYS HE2 H 1 2.91 0.005 . 2 . . . . . . . . . 6419 1 132 . 1 1 14 14 PRO CA C 13 63.03 0.090 . 1 . . . . . . . . . 6419 1 133 . 1 1 14 14 PRO HA H 1 4.32 0.008 . 1 . . . . . . . . . 6419 1 134 . 1 1 14 14 PRO CB C 13 31.92 0.080 . 1 . . . . . . . . . 6419 1 135 . 1 1 14 14 PRO HB2 H 1 1.85 0.008 . 1 . . . . . . . . . 6419 1 136 . 1 1 14 14 PRO HB3 H 1 2.25 0.003 . 1 . . . . . . . . . 6419 1 137 . 1 1 14 14 PRO CG C 13 27.10 0.020 . 1 . . . . . . . . . 6419 1 138 . 1 1 14 14 PRO HG2 H 1 1.93 0.005 . 1 . . . . . . . . . 6419 1 139 . 1 1 14 14 PRO HG3 H 1 1.98 0.005 . 1 . . . . . . . . . 6419 1 140 . 1 1 14 14 PRO CD C 13 50.58 0.030 . 1 . . . . . . . . . 6419 1 141 . 1 1 14 14 PRO HD2 H 1 3.55 0.004 . 1 . . . . . . . . . 6419 1 142 . 1 1 14 14 PRO HD3 H 1 3.72 0.004 . 1 . . . . . . . . . 6419 1 143 . 1 1 15 15 ALA N N 15 123.85 0.040 . 1 . . . . . . . . . 6419 1 144 . 1 1 15 15 ALA H H 1 8.38 0.004 . 1 . . . . . . . . . 6419 1 145 . 1 1 15 15 ALA CA C 13 52.51 0.010 . 1 . . . . . . . . . 6419 1 146 . 1 1 15 15 ALA HA H 1 4.19 0.006 . 1 . . . . . . . . . 6419 1 147 . 1 1 15 15 ALA CB C 13 19.12 0.030 . 1 . . . . . . . . . 6419 1 148 . 1 1 15 15 ALA HB1 H 1 1.33 0.008 . 1 . . . . . . . . . 6419 1 149 . 1 1 15 15 ALA HB2 H 1 1.33 0.008 . 1 . . . . . . . . . 6419 1 150 . 1 1 15 15 ALA HB3 H 1 1.33 0.008 . 1 . . . . . . . . . 6419 1 151 . 1 1 16 16 GLU N N 15 119.63 0.050 . 1 . . . . . . . . . 6419 1 152 . 1 1 16 16 GLU H H 1 8.36 0.001 . 1 . . . . . . . . . 6419 1 153 . 1 1 16 16 GLU CA C 13 56.52 0.010 . 1 . . . . . . . . . 6419 1 154 . 1 1 16 16 GLU HA H 1 4.21 0.003 . 1 . . . . . . . . . 6419 1 155 . 1 1 16 16 GLU CB C 13 30.15 0.020 . 1 . . . . . . . . . 6419 1 156 . 1 1 16 16 GLU HB2 H 1 1.87 0.002 . 1 . . . . . . . . . 6419 1 157 . 1 1 16 16 GLU HB3 H 1 2.00 0.004 . 1 . . . . . . . . . 6419 1 158 . 1 1 16 16 GLU CG C 13 35.97 0.010 . 1 . . . . . . . . . 6419 1 159 . 1 1 16 16 GLU HG2 H 1 2.19 0.004 . 2 . . . . . . . . . 6419 1 160 . 1 1 17 17 SER N N 15 116.10 0.050 . 1 . . . . . . . . . 6419 1 161 . 1 1 17 17 SER H H 1 8.24 0.002 . 1 . . . . . . . . . 6419 1 162 . 1 1 17 17 SER CA C 13 58.18 0.090 . 1 . . . . . . . . . 6419 1 163 . 1 1 17 17 SER HA H 1 4.35 0.011 . 1 . . . . . . . . . 6419 1 164 . 1 1 17 17 SER CB C 13 63.74 0.030 . 1 . . . . . . . . . 6419 1 165 . 1 1 17 17 SER HB2 H 1 3.80 0.009 . 2 . . . . . . . . . 6419 1 166 . 1 1 18 18 GLN N N 15 121.72 0.030 . 1 . . . . . . . . . 6419 1 167 . 1 1 18 18 GLN H H 1 8.34 0.003 . 1 . . . . . . . . . 6419 1 168 . 1 1 18 18 GLN CA C 13 55.85 0.090 . 1 . . . . . . . . . 6419 1 169 . 1 1 18 18 GLN HA H 1 4.25 0.009 . 1 . . . . . . . . . 6419 1 170 . 1 1 18 18 GLN CB C 13 29.40 0.040 . 1 . . . . . . . . . 6419 1 171 . 1 1 18 18 GLN HB2 H 1 1.91 0.002 . 1 . . . . . . . . . 6419 1 172 . 1 1 18 18 GLN HB3 H 1 2.01 0.002 . 1 . . . . . . . . . 6419 1 173 . 1 1 18 18 GLN CG C 13 33.99 0.030 . 1 . . . . . . . . . 6419 1 174 . 1 1 18 18 GLN HG2 H 1 2.19 0.001 . 1 . . . . . . . . . 6419 1 175 . 1 1 18 18 GLN HG3 H 1 2.29 0.006 . 1 . . . . . . . . . 6419 1 176 . 1 1 19 19 GLN N N 15 121.07 0.010 . 1 . . . . . . . . . 6419 1 177 . 1 1 19 19 GLN H H 1 8.30 0.001 . 1 . . . . . . . . . 6419 1 178 . 1 1 19 19 GLN CA C 13 55.70 0.070 . 1 . . . . . . . . . 6419 1 179 . 1 1 19 19 GLN HA H 1 4.22 0.011 . 1 . . . . . . . . . 6419 1 180 . 1 1 19 19 GLN CB C 13 29.29 0.010 . 1 . . . . . . . . . 6419 1 181 . 1 1 19 19 GLN HB2 H 1 1.92 0.009 . 1 . . . . . . . . . 6419 1 182 . 1 1 19 19 GLN HB3 H 1 1.99 0.009 . 1 . . . . . . . . . 6419 1 183 . 1 1 19 19 GLN CG C 13 33.60 0.050 . 1 . . . . . . . . . 6419 1 184 . 1 1 19 19 GLN HG2 H 1 2.29 0.002 . 2 . . . . . . . . . 6419 1 185 . 1 1 20 20 GLN N N 15 121.72 0.060 . 1 . . . . . . . . . 6419 1 186 . 1 1 20 20 GLN H H 1 8.36 0.003 . 1 . . . . . . . . . 6419 1 187 . 1 1 20 20 GLN CA C 13 55.59 0.010 . 1 . . . . . . . . . 6419 1 188 . 1 1 20 20 GLN HA H 1 4.24 0.010 . 1 . . . . . . . . . 6419 1 189 . 1 1 20 20 GLN CB C 13 29.53 0.010 . 1 . . . . . . . . . 6419 1 190 . 1 1 20 20 GLN HB2 H 1 1.91 0.002 . 1 . . . . . . . . . 6419 1 191 . 1 1 20 20 GLN HB3 H 1 2.02 0.014 . 1 . . . . . . . . . 6419 1 192 . 1 1 20 20 GLN CG C 13 33.48 0.010 . 1 . . . . . . . . . 6419 1 193 . 1 1 20 20 GLN HG2 H 1 2.29 0.003 . 2 . . . . . . . . . 6419 1 194 . 1 1 21 21 ALA N N 15 125.52 0.040 . 1 . . . . . . . . . 6419 1 195 . 1 1 21 21 ALA H H 1 8.30 0.002 . 1 . . . . . . . . . 6419 1 196 . 1 1 21 21 ALA CA C 13 52.13 0.070 . 1 . . . . . . . . . 6419 1 197 . 1 1 21 21 ALA HA H 1 4.22 0.004 . 1 . . . . . . . . . 6419 1 198 . 1 1 21 21 ALA CB C 13 19.27 0.060 . 1 . . . . . . . . . 6419 1 199 . 1 1 21 21 ALA HB1 H 1 1.31 0.002 . 1 . . . . . . . . . 6419 1 200 . 1 1 21 21 ALA HB2 H 1 1.31 0.002 . 1 . . . . . . . . . 6419 1 201 . 1 1 21 21 ALA HB3 H 1 1.31 0.002 . 1 . . . . . . . . . 6419 1 202 . 1 1 22 22 ALA N N 15 123.40 0.030 . 1 . . . . . . . . . 6419 1 203 . 1 1 22 22 ALA H H 1 8.16 0.002 . 1 . . . . . . . . . 6419 1 204 . 1 1 22 22 ALA CA C 13 52.05 0.010 . 1 . . . . . . . . . 6419 1 205 . 1 1 22 22 ALA HA H 1 4.28 0.004 . 1 . . . . . . . . . 6419 1 206 . 1 1 22 22 ALA CB C 13 19.33 0.020 . 1 . . . . . . . . . 6419 1 207 . 1 1 22 22 ALA HB1 H 1 1.31 0.005 . 1 . . . . . . . . . 6419 1 208 . 1 1 22 22 ALA HB2 H 1 1.31 0.005 . 1 . . . . . . . . . 6419 1 209 . 1 1 22 22 ALA HB3 H 1 1.31 0.005 . 1 . . . . . . . . . 6419 1 210 . 1 1 23 23 GLU N N 15 118.89 0.040 . 1 . . . . . . . . . 6419 1 211 . 1 1 23 23 GLU H H 1 8.08 0.003 . 1 . . . . . . . . . 6419 1 212 . 1 1 23 23 GLU CA C 13 55.11 0.090 . 1 . . . . . . . . . 6419 1 213 . 1 1 23 23 GLU HA H 1 4.39 0.008 . 1 . . . . . . . . . 6419 1 214 . 1 1 23 23 GLU CB C 13 30.75 0.070 . 1 . . . . . . . . . 6419 1 215 . 1 1 23 23 GLU HB2 H 1 1.45 0.003 . 1 . . . . . . . . . 6419 1 216 . 1 1 23 23 GLU HB3 H 1 2.15 0.005 . 1 . . . . . . . . . 6419 1 217 . 1 1 23 23 GLU CG C 13 34.92 0.070 . 1 . . . . . . . . . 6419 1 218 . 1 1 23 23 GLU HG2 H 1 2.25 0.010 . 2 . . . . . . . . . 6419 1 219 . 1 1 24 24 THR N N 15 111.57 0.030 . 1 . . . . . . . . . 6419 1 220 . 1 1 24 24 THR H H 1 9.04 0.008 . 1 . . . . . . . . . 6419 1 221 . 1 1 24 24 THR CA C 13 59.30 0.080 . 1 . . . . . . . . . 6419 1 222 . 1 1 24 24 THR HA H 1 4.50 0.005 . 1 . . . . . . . . . 6419 1 223 . 1 1 24 24 THR CB C 13 72.96 0.090 . 1 . . . . . . . . . 6419 1 224 . 1 1 24 24 THR HB H 1 4.51 0.001 . 1 . . . . . . . . . 6419 1 225 . 1 1 24 24 THR CG2 C 13 21.68 0.010 . 1 . . . . . . . . . 6419 1 226 . 1 1 24 24 THR HG21 H 1 1.13 0.006 . 1 . . . . . . . . . 6419 1 227 . 1 1 24 24 THR HG22 H 1 1.13 0.006 . 1 . . . . . . . . . 6419 1 228 . 1 1 24 24 THR HG23 H 1 1.13 0.006 . 1 . . . . . . . . . 6419 1 229 . 1 1 25 25 GLU N N 15 121.77 0.050 . 1 . . . . . . . . . 6419 1 230 . 1 1 25 25 GLU H H 1 9.01 0.002 . 1 . . . . . . . . . 6419 1 231 . 1 1 25 25 GLU CA C 13 59.90 0.120 . 1 . . . . . . . . . 6419 1 232 . 1 1 25 25 GLU HA H 1 3.94 0.009 . 1 . . . . . . . . . 6419 1 233 . 1 1 25 25 GLU CB C 13 28.86 0.100 . 1 . . . . . . . . . 6419 1 234 . 1 1 25 25 GLU HB2 H 1 1.78 0.004 . 1 . . . . . . . . . 6419 1 235 . 1 1 25 25 GLU HB3 H 1 2.09 0.004 . 1 . . . . . . . . . 6419 1 236 . 1 1 25 25 GLU CG C 13 34.33 0.020 . 1 . . . . . . . . . 6419 1 237 . 1 1 25 25 GLU HG2 H 1 2.20 0.008 . 1 . . . . . . . . . 6419 1 238 . 1 1 25 25 GLU HG3 H 1 2.35 0.005 . 1 . . . . . . . . . 6419 1 239 . 1 1 26 26 GLY N N 15 102.83 0.070 . 1 . . . . . . . . . 6419 1 240 . 1 1 26 26 GLY H H 1 8.32 0.006 . 1 . . . . . . . . . 6419 1 241 . 1 1 26 26 GLY CA C 13 46.66 0.010 . 1 . . . . . . . . . 6419 1 242 . 1 1 26 26 GLY HA2 H 1 3.69 0.003 . 1 . . . . . . . . . 6419 1 243 . 1 1 26 26 GLY HA3 H 1 3.75 0.011 . 1 . . . . . . . . . 6419 1 244 . 1 1 27 27 SER N N 15 118.44 0.040 . 1 . . . . . . . . . 6419 1 245 . 1 1 27 27 SER H H 1 8.14 0.004 . 1 . . . . . . . . . 6419 1 246 . 1 1 27 27 SER CA C 13 61.82 0.010 . 1 . . . . . . . . . 6419 1 247 . 1 1 27 27 SER HA H 1 4.15 0.007 . 1 . . . . . . . . . 6419 1 248 . 1 1 27 27 SER CB C 13 62.08 0.010 . 1 . . . . . . . . . 6419 1 249 . 1 1 27 27 SER HB2 H 1 3.81 0.016 . 1 . . . . . . . . . 6419 1 250 . 1 1 27 27 SER HB3 H 1 4.01 0.017 . 1 . . . . . . . . . 6419 1 251 . 1 1 28 28 CYS N N 15 123.68 0.060 . 1 . . . . . . . . . 6419 1 252 . 1 1 28 28 CYS H H 1 8.59 0.003 . 1 . . . . . . . . . 6419 1 253 . 1 1 28 28 CYS CA C 13 57.41 0.010 . 1 . . . . . . . . . 6419 1 254 . 1 1 28 28 CYS HA H 1 4.29 0.005 . 1 . . . . . . . . . 6419 1 255 . 1 1 28 28 CYS CB C 13 35.96 0.030 . 1 . . . . . . . . . 6419 1 256 . 1 1 28 28 CYS HB2 H 1 2.70 0.004 . 2 . . . . . . . . . 6419 1 257 . 1 1 29 29 ASN N N 15 114.86 0.030 . 1 . . . . . . . . . 6419 1 258 . 1 1 29 29 ASN H H 1 8.57 0.002 . 1 . . . . . . . . . 6419 1 259 . 1 1 29 29 ASN CA C 13 55.33 0.070 . 1 . . . . . . . . . 6419 1 260 . 1 1 29 29 ASN HA H 1 4.85 0.007 . 1 . . . . . . . . . 6419 1 261 . 1 1 29 29 ASN CB C 13 39.63 0.050 . 1 . . . . . . . . . 6419 1 262 . 1 1 29 29 ASN ND2 N 15 112.37 0.710 . 1 . . . . . . . . . 6419 1 263 . 1 1 29 29 ASN HD21 H 1 7.77 0.026 . 1 . . . . . . . . . 6419 1 264 . 1 1 29 29 ASN HD22 H 1 8.22 0.007 . 1 . . . . . . . . . 6419 1 265 . 1 1 29 29 ASN HB2 H 1 2.82 0.023 . 2 . . . . . . . . . 6419 1 266 . 1 1 30 30 LYS N N 15 116.19 0.050 . 1 . . . . . . . . . 6419 1 267 . 1 1 30 30 LYS H H 1 6.97 0.005 . 1 . . . . . . . . . 6419 1 268 . 1 1 30 30 LYS CA C 13 56.76 0.010 . 1 . . . . . . . . . 6419 1 269 . 1 1 30 30 LYS HA H 1 4.21 0.007 . 1 . . . . . . . . . 6419 1 270 . 1 1 30 30 LYS CB C 13 33.28 0.010 . 1 . . . . . . . . . 6419 1 271 . 1 1 30 30 LYS HB2 H 1 1.73 0.006 . 1 . . . . . . . . . 6419 1 272 . 1 1 30 30 LYS HB3 H 1 2.00 0.004 . 1 . . . . . . . . . 6419 1 273 . 1 1 30 30 LYS CG C 13 24.70 0.040 . 1 . . . . . . . . . 6419 1 274 . 1 1 30 30 LYS HG2 H 1 1.43 0.016 . 1 . . . . . . . . . 6419 1 275 . 1 1 30 30 LYS HG3 H 1 1.63 0.003 . 1 . . . . . . . . . 6419 1 276 . 1 1 30 30 LYS CD C 13 28.95 0.000 . 1 . . . . . . . . . 6419 1 277 . 1 1 30 30 LYS CE C 13 41.90 0.010 . 1 . . . . . . . . . 6419 1 278 . 1 1 30 30 LYS HD2 H 1 1.62 0.011 . 2 . . . . . . . . . 6419 1 279 . 1 1 31 31 LYS N N 15 120.36 0.050 . 1 . . . . . . . . . 6419 1 280 . 1 1 31 31 LYS H H 1 7.78 0.003 . 1 . . . . . . . . . 6419 1 281 . 1 1 31 31 LYS CA C 13 57.12 0.040 . 1 . . . . . . . . . 6419 1 282 . 1 1 31 31 LYS HA H 1 4.28 0.005 . 1 . . . . . . . . . 6419 1 283 . 1 1 31 31 LYS CB C 13 34.31 0.070 . 1 . . . . . . . . . 6419 1 284 . 1 1 31 31 LYS HB2 H 1 1.58 0.011 . 1 . . . . . . . . . 6419 1 285 . 1 1 31 31 LYS HB3 H 1 2.49 0.007 . 1 . . . . . . . . . 6419 1 286 . 1 1 31 31 LYS CG C 13 25.99 0.030 . 1 . . . . . . . . . 6419 1 287 . 1 1 31 31 LYS HG2 H 1 1.34 0.002 . 1 . . . . . . . . . 6419 1 288 . 1 1 31 31 LYS HG3 H 1 1.76 0.008 . 1 . . . . . . . . . 6419 1 289 . 1 1 31 31 LYS CD C 13 29.54 0.020 . 1 . . . . . . . . . 6419 1 290 . 1 1 31 31 LYS HD2 H 1 1.57 0.002 . 1 . . . . . . . . . 6419 1 291 . 1 1 31 31 LYS HD3 H 1 1.77 0.002 . 1 . . . . . . . . . 6419 1 292 . 1 1 31 31 LYS CE C 13 42.71 0.020 . 1 . . . . . . . . . 6419 1 293 . 1 1 31 31 LYS HE2 H 1 2.82 0.004 . 1 . . . . . . . . . 6419 1 294 . 1 1 31 31 LYS HE3 H 1 3.05 0.003 . 1 . . . . . . . . . 6419 1 295 . 1 1 32 32 ASP N N 15 120.50 0.070 . 1 . . . . . . . . . 6419 1 296 . 1 1 32 32 ASP H H 1 8.31 0.001 . 1 . . . . . . . . . 6419 1 297 . 1 1 32 32 ASP CA C 13 52.15 0.020 . 1 . . . . . . . . . 6419 1 298 . 1 1 32 32 ASP HA H 1 4.71 0.008 . 1 . . . . . . . . . 6419 1 299 . 1 1 32 32 ASP CB C 13 41.20 0.060 . 1 . . . . . . . . . 6419 1 300 . 1 1 32 32 ASP HB2 H 1 2.71 0.003 . 1 . . . . . . . . . 6419 1 301 . 1 1 32 32 ASP HB3 H 1 2.81 0.003 . 1 . . . . . . . . . 6419 1 302 . 1 1 33 33 GLN N N 15 118.48 0.040 . 1 . . . . . . . . . 6419 1 303 . 1 1 33 33 GLN H H 1 7.85 0.006 . 1 . . . . . . . . . 6419 1 304 . 1 1 33 33 GLN CA C 13 60.03 0.110 . 1 . . . . . . . . . 6419 1 305 . 1 1 33 33 GLN HA H 1 2.33 0.007 . 1 . . . . . . . . . 6419 1 306 . 1 1 33 33 GLN CB C 13 27.31 0.110 . 1 . . . . . . . . . 6419 1 307 . 1 1 33 33 GLN HB2 H 1 0.40 0.009 . 1 . . . . . . . . . 6419 1 308 . 1 1 33 33 GLN HB3 H 1 1.01 0.008 . 1 . . . . . . . . . 6419 1 309 . 1 1 33 33 GLN CG C 13 31.58 0.010 . 1 . . . . . . . . . 6419 1 310 . 1 1 33 33 GLN HG2 H 1 0.51 0.012 . 1 . . . . . . . . . 6419 1 311 . 1 1 33 33 GLN HG3 H 1 1.38 0.004 . 1 . . . . . . . . . 6419 1 312 . 1 1 33 33 GLN NE2 N 15 109.41 0.000 . 1 . . . . . . . . . 6419 1 313 . 1 1 33 33 GLN HE21 H 1 6.52 0.000 . 1 . . . . . . . . . 6419 1 314 . 1 1 33 33 GLN HE22 H 1 6.90 0.000 . 1 . . . . . . . . . 6419 1 315 . 1 1 34 34 ASN N N 15 114.06 0.070 . 1 . . . . . . . . . 6419 1 316 . 1 1 34 34 ASN H H 1 8.03 0.006 . 1 . . . . . . . . . 6419 1 317 . 1 1 34 34 ASN CA C 13 55.25 0.080 . 1 . . . . . . . . . 6419 1 318 . 1 1 34 34 ASN HA H 1 4.09 0.010 . 1 . . . . . . . . . 6419 1 319 . 1 1 34 34 ASN CB C 13 37.78 0.010 . 1 . . . . . . . . . 6419 1 320 . 1 1 34 34 ASN HB2 H 1 2.58 0.003 . 1 . . . . . . . . . 6419 1 321 . 1 1 34 34 ASN HB3 H 1 2.68 0.004 . 1 . . . . . . . . . 6419 1 322 . 1 1 34 34 ASN ND2 N 15 113.44 0.040 . 1 . . . . . . . . . 6419 1 323 . 1 1 34 34 ASN HD21 H 1 6.78 0.002 . 1 . . . . . . . . . 6419 1 324 . 1 1 34 34 ASN HD22 H 1 7.60 0.002 . 1 . . . . . . . . . 6419 1 325 . 1 1 35 35 GLU N N 15 115.36 0.040 . 1 . . . . . . . . . 6419 1 326 . 1 1 35 35 GLU H H 1 7.39 0.005 . 1 . . . . . . . . . 6419 1 327 . 1 1 35 35 GLU CA C 13 55.31 0.020 . 1 . . . . . . . . . 6419 1 328 . 1 1 35 35 GLU HA H 1 4.25 0.008 . 1 . . . . . . . . . 6419 1 329 . 1 1 35 35 GLU CB C 13 30.75 0.030 . 1 . . . . . . . . . 6419 1 330 . 1 1 35 35 GLU CG C 13 36.11 0.020 . 1 . . . . . . . . . 6419 1 331 . 1 1 35 35 GLU HG2 H 1 2.13 0.009 . 1 . . . . . . . . . 6419 1 332 . 1 1 35 35 GLU HG3 H 1 2.26 0.005 . 1 . . . . . . . . . 6419 1 333 . 1 1 35 35 GLU HB2 H 1 1.88 0.009 . 2 . . . . . . . . . 6419 1 334 . 1 1 36 36 CYS N N 15 121.83 0.040 . 1 . . . . . . . . . 6419 1 335 . 1 1 36 36 CYS H H 1 7.46 0.003 . 1 . . . . . . . . . 6419 1 336 . 1 1 36 36 CYS CA C 13 57.19 0.100 . 1 . . . . . . . . . 6419 1 337 . 1 1 36 36 CYS HA H 1 4.24 0.007 . 1 . . . . . . . . . 6419 1 338 . 1 1 36 36 CYS CB C 13 40.70 0.010 . 1 . . . . . . . . . 6419 1 339 . 1 1 36 36 CYS HB2 H 1 2.86 0.007 . 1 . . . . . . . . . 6419 1 340 . 1 1 36 36 CYS HB3 H 1 3.31 0.005 . 1 . . . . . . . . . 6419 1 341 . 1 1 37 37 LYS N N 15 126.76 0.070 . 1 . . . . . . . . . 6419 1 342 . 1 1 37 37 LYS H H 1 7.52 0.005 . 1 . . . . . . . . . 6419 1 343 . 1 1 37 37 LYS CA C 13 53.85 0.010 . 1 . . . . . . . . . 6419 1 344 . 1 1 37 37 LYS HA H 1 4.57 0.010 . 1 . . . . . . . . . 6419 1 345 . 1 1 37 37 LYS CB C 13 35.40 0.080 . 1 . . . . . . . . . 6419 1 346 . 1 1 37 37 LYS HB2 H 1 1.59 0.004 . 1 . . . . . . . . . 6419 1 347 . 1 1 37 37 LYS HB3 H 1 1.86 0.002 . 1 . . . . . . . . . 6419 1 348 . 1 1 37 37 LYS CG C 13 24.35 0.010 . 1 . . . . . . . . . 6419 1 349 . 1 1 37 37 LYS HG2 H 1 1.02 0.000 . 1 . . . . . . . . . 6419 1 350 . 1 1 37 37 LYS HG3 H 1 1.18 0.000 . 1 . . . . . . . . . 6419 1 351 . 1 1 37 37 LYS CD C 13 28.79 0.080 . 1 . . . . . . . . . 6419 1 352 . 1 1 37 37 LYS CE C 13 42.10 0.010 . 1 . . . . . . . . . 6419 1 353 . 1 1 37 37 LYS HE2 H 1 2.81 0.001 . 1 . . . . . . . . . 6419 1 354 . 1 1 37 37 LYS HE3 H 1 2.89 0.000 . 1 . . . . . . . . . 6419 1 355 . 1 1 37 37 LYS HD2 H 1 1.56 0.011 . 2 . . . . . . . . . 6419 1 356 . 1 1 38 38 SER N N 15 117.22 0.040 . 1 . . . . . . . . . 6419 1 357 . 1 1 38 38 SER H H 1 8.47 0.003 . 1 . . . . . . . . . 6419 1 358 . 1 1 38 38 SER CA C 13 57.99 0.120 . 1 . . . . . . . . . 6419 1 359 . 1 1 38 38 SER HA H 1 4.63 0.015 . 1 . . . . . . . . . 6419 1 360 . 1 1 38 38 SER CB C 13 62.82 0.020 . 1 . . . . . . . . . 6419 1 361 . 1 1 38 38 SER HB2 H 1 3.76 0.003 . 1 . . . . . . . . . 6419 1 362 . 1 1 38 38 SER HB3 H 1 3.85 0.001 . 1 . . . . . . . . . 6419 1 363 . 1 1 39 39 PRO CA C 13 64.26 0.110 . 1 . . . . . . . . . 6419 1 364 . 1 1 39 39 PRO HA H 1 4.75 0.007 . 1 . . . . . . . . . 6419 1 365 . 1 1 39 39 PRO CB C 13 33.31 0.040 . 1 . . . . . . . . . 6419 1 366 . 1 1 39 39 PRO CG C 13 25.07 0.040 . 1 . . . . . . . . . 6419 1 367 . 1 1 39 39 PRO HG2 H 1 1.41 0.006 . 1 . . . . . . . . . 6419 1 368 . 1 1 39 39 PRO HG3 H 1 2.04 0.011 . 1 . . . . . . . . . 6419 1 369 . 1 1 39 39 PRO CD C 13 50.30 0.120 . 1 . . . . . . . . . 6419 1 370 . 1 1 39 39 PRO HB2 H 1 2.28 0.010 . 2 . . . . . . . . . 6419 1 371 . 1 1 39 39 PRO HD2 H 1 3.50 0.008 . 2 . . . . . . . . . 6419 1 372 . 1 1 40 40 CYS N N 15 125.77 0.050 . 1 . . . . . . . . . 6419 1 373 . 1 1 40 40 CYS H H 1 8.83 0.003 . 1 . . . . . . . . . 6419 1 374 . 1 1 40 40 CYS CA C 13 53.76 0.100 . 1 . . . . . . . . . 6419 1 375 . 1 1 40 40 CYS HA H 1 5.19 0.006 . 1 . . . . . . . . . 6419 1 376 . 1 1 40 40 CYS CB C 13 39.10 0.040 . 1 . . . . . . . . . 6419 1 377 . 1 1 40 40 CYS HB2 H 1 2.57 0.006 . 1 . . . . . . . . . 6419 1 378 . 1 1 40 40 CYS HB3 H 1 3.45 0.006 . 1 . . . . . . . . . 6419 1 379 . 1 1 41 41 LYS N N 15 121.57 0.040 . 1 . . . . . . . . . 6419 1 380 . 1 1 41 41 LYS H H 1 9.49 0.002 . 1 . . . . . . . . . 6419 1 381 . 1 1 41 41 LYS CA C 13 55.38 0.070 . 1 . . . . . . . . . 6419 1 382 . 1 1 41 41 LYS HA H 1 4.39 0.006 . 1 . . . . . . . . . 6419 1 383 . 1 1 41 41 LYS CB C 13 36.41 0.020 . 1 . . . . . . . . . 6419 1 384 . 1 1 41 41 LYS CG C 13 24.38 0.010 . 1 . . . . . . . . . 6419 1 385 . 1 1 41 41 LYS HG2 H 1 1.02 0.003 . 1 . . . . . . . . . 6419 1 386 . 1 1 41 41 LYS HG3 H 1 1.15 0.008 . 1 . . . . . . . . . 6419 1 387 . 1 1 41 41 LYS CD C 13 28.86 0.010 . 1 . . . . . . . . . 6419 1 388 . 1 1 41 41 LYS CE C 13 42.03 0.010 . 1 . . . . . . . . . 6419 1 389 . 1 1 41 41 LYS HB2 H 1 1.53 0.016 . 2 . . . . . . . . . 6419 1 390 . 1 1 41 41 LYS HD2 H 1 1.53 0.014 . 2 . . . . . . . . . 6419 1 391 . 1 1 41 41 LYS HE2 H 1 2.81 0.002 . 2 . . . . . . . . . 6419 1 392 . 1 1 42 42 TRP N N 15 126.82 0.080 . 1 . . . . . . . . . 6419 1 393 . 1 1 42 42 TRP H H 1 8.65 0.006 . 1 . . . . . . . . . 6419 1 394 . 1 1 42 42 TRP CA C 13 56.38 0.100 . 1 . . . . . . . . . 6419 1 395 . 1 1 42 42 TRP HA H 1 5.09 0.010 . 1 . . . . . . . . . 6419 1 396 . 1 1 42 42 TRP CB C 13 31.18 0.100 . 1 . . . . . . . . . 6419 1 397 . 1 1 42 42 TRP HB2 H 1 2.97 0.006 . 1 . . . . . . . . . 6419 1 398 . 1 1 42 42 TRP HB3 H 1 3.12 0.002 . 1 . . . . . . . . . 6419 1 399 . 1 1 42 42 TRP NE1 N 15 128.64 0.000 . 1 . . . . . . . . . 6419 1 400 . 1 1 42 42 TRP HE1 H 1 9.95 0.000 . 1 . . . . . . . . . 6419 1 401 . 1 1 43 43 HIS N N 15 127.82 0.040 . 1 . . . . . . . . . 6419 1 402 . 1 1 43 43 HIS H H 1 8.57 0.003 . 1 . . . . . . . . . 6419 1 403 . 1 1 43 43 HIS CA C 13 53.85 0.010 . 1 . . . . . . . . . 6419 1 404 . 1 1 43 43 HIS HA H 1 4.56 0.002 . 1 . . . . . . . . . 6419 1 405 . 1 1 43 43 HIS CB C 13 29.20 0.140 . 1 . . . . . . . . . 6419 1 406 . 1 1 43 43 HIS HB2 H 1 2.86 0.063 . 2 . . . . . . . . . 6419 1 407 . 1 1 44 44 ASN N N 15 121.06 0.020 . 1 . . . . . . . . . 6419 1 408 . 1 1 44 44 ASN H H 1 8.61 0.007 . 1 . . . . . . . . . 6419 1 409 . 1 1 44 44 ASN CA C 13 53.25 0.000 . 1 . . . . . . . . . 6419 1 410 . 1 1 44 44 ASN HA H 1 4.46 0.007 . 1 . . . . . . . . . 6419 1 411 . 1 1 44 44 ASN CB C 13 40.92 0.000 . 1 . . . . . . . . . 6419 1 412 . 1 1 44 44 ASN HB2 H 1 2.57 0.001 . 2 . . . . . . . . . 6419 1 413 . 1 1 45 45 ASP HA H 1 4.60 0.000 . 1 . . . . . . . . . 6419 1 414 . 1 1 46 46 ALA CA C 13 52.95 0.130 . 1 . . . . . . . . . 6419 1 415 . 1 1 46 46 ALA HA H 1 4.02 0.010 . 1 . . . . . . . . . 6419 1 416 . 1 1 46 46 ALA CB C 13 19.11 0.100 . 1 . . . . . . . . . 6419 1 417 . 1 1 46 46 ALA HB1 H 1 1.22 0.003 . 1 . . . . . . . . . 6419 1 418 . 1 1 46 46 ALA HB2 H 1 1.22 0.003 . 1 . . . . . . . . . 6419 1 419 . 1 1 46 46 ALA HB3 H 1 1.22 0.003 . 1 . . . . . . . . . 6419 1 420 . 1 1 47 47 GLU N N 15 117.95 0.060 . 1 . . . . . . . . . 6419 1 421 . 1 1 47 47 GLU H H 1 8.45 0.004 . 1 . . . . . . . . . 6419 1 422 . 1 1 47 47 GLU CA C 13 57.47 0.010 . 1 . . . . . . . . . 6419 1 423 . 1 1 47 47 GLU HA H 1 4.05 0.011 . 1 . . . . . . . . . 6419 1 424 . 1 1 47 47 GLU CB C 13 29.94 0.120 . 1 . . . . . . . . . 6419 1 425 . 1 1 47 47 GLU HB2 H 1 1.86 0.020 . 1 . . . . . . . . . 6419 1 426 . 1 1 47 47 GLU HB3 H 1 1.95 0.002 . 1 . . . . . . . . . 6419 1 427 . 1 1 47 47 GLU CG C 13 35.96 0.010 . 1 . . . . . . . . . 6419 1 428 . 1 1 47 47 GLU HG2 H 1 2.13 0.002 . 2 . . . . . . . . . 6419 1 429 . 1 1 48 48 ASN N N 15 115.90 0.070 . 1 . . . . . . . . . 6419 1 430 . 1 1 48 48 ASN H H 1 7.95 0.005 . 1 . . . . . . . . . 6419 1 431 . 1 1 48 48 ASN CA C 13 52.90 0.110 . 1 . . . . . . . . . 6419 1 432 . 1 1 48 48 ASN HA H 1 4.62 0.007 . 1 . . . . . . . . . 6419 1 433 . 1 1 48 48 ASN CB C 13 39.77 0.040 . 1 . . . . . . . . . 6419 1 434 . 1 1 48 48 ASN HB2 H 1 2.59 0.000 . 1 . . . . . . . . . 6419 1 435 . 1 1 48 48 ASN HB3 H 1 2.64 0.000 . 1 . . . . . . . . . 6419 1 436 . 1 1 48 48 ASN ND2 N 15 113.32 0.200 . 1 . . . . . . . . . 6419 1 437 . 1 1 48 48 ASN HD21 H 1 6.82 0.005 . 1 . . . . . . . . . 6419 1 438 . 1 1 48 48 ASN HD22 H 1 7.56 0.002 . 1 . . . . . . . . . 6419 1 439 . 1 1 49 49 LYS N N 15 120.47 0.040 . 1 . . . . . . . . . 6419 1 440 . 1 1 49 49 LYS H H 1 8.07 0.003 . 1 . . . . . . . . . 6419 1 441 . 1 1 49 49 LYS CA C 13 55.50 0.040 . 1 . . . . . . . . . 6419 1 442 . 1 1 49 49 LYS HA H 1 4.14 0.003 . 1 . . . . . . . . . 6419 1 443 . 1 1 49 49 LYS CB C 13 31.74 0.000 . 1 . . . . . . . . . 6419 1 444 . 1 1 49 49 LYS HB2 H 1 1.72 0.000 . 1 . . . . . . . . . 6419 1 445 . 1 1 49 49 LYS HB3 H 1 1.79 0.000 . 1 . . . . . . . . . 6419 1 446 . 1 1 49 49 LYS CG C 13 24.64 0.000 . 1 . . . . . . . . . 6419 1 447 . 1 1 49 49 LYS HG2 H 1 1.28 0.003 . 1 . . . . . . . . . 6419 1 448 . 1 1 49 49 LYS HG3 H 1 1.32 0.004 . 1 . . . . . . . . . 6419 1 449 . 1 1 49 49 LYS CD C 13 29.00 0.070 . 1 . . . . . . . . . 6419 1 450 . 1 1 49 49 LYS HD2 H 1 1.60 0.002 . 1 . . . . . . . . . 6419 1 451 . 1 1 49 49 LYS HD3 H 1 1.66 0.010 . 1 . . . . . . . . . 6419 1 452 . 1 1 49 49 LYS CE C 13 42.06 0.020 . 1 . . . . . . . . . 6419 1 453 . 1 1 49 49 LYS HE2 H 1 2.92 0.010 . 2 . . . . . . . . . 6419 1 454 . 1 1 50 50 LYS N N 15 119.04 0.040 . 1 . . . . . . . . . 6419 1 455 . 1 1 50 50 LYS H H 1 7.58 0.002 . 1 . . . . . . . . . 6419 1 456 . 1 1 50 50 LYS CA C 13 57.15 0.060 . 1 . . . . . . . . . 6419 1 457 . 1 1 50 50 LYS HA H 1 3.69 0.007 . 1 . . . . . . . . . 6419 1 458 . 1 1 50 50 LYS CB C 13 31.90 0.000 . 1 . . . . . . . . . 6419 1 459 . 1 1 50 50 LYS CG C 13 24.79 0.050 . 1 . . . . . . . . . 6419 1 460 . 1 1 50 50 LYS HG2 H 1 0.93 0.003 . 1 . . . . . . . . . 6419 1 461 . 1 1 50 50 LYS HG3 H 1 1.01 0.007 . 1 . . . . . . . . . 6419 1 462 . 1 1 50 50 LYS CD C 13 29.38 0.050 . 1 . . . . . . . . . 6419 1 463 . 1 1 50 50 LYS CE C 13 42.32 0.010 . 1 . . . . . . . . . 6419 1 464 . 1 1 50 50 LYS HD2 H 1 1.42 0.004 . 2 . . . . . . . . . 6419 1 465 . 1 1 50 50 LYS HE2 H 1 2.80 0.005 . 2 . . . . . . . . . 6419 1 466 . 1 1 51 51 CYS CA C 13 54.80 0.000 . 1 . . . . . . . . . 6419 1 467 . 1 1 51 51 CYS HA H 1 5.33 0.007 . 1 . . . . . . . . . 6419 1 468 . 1 1 51 51 CYS CB C 13 41.01 0.010 . 1 . . . . . . . . . 6419 1 469 . 1 1 51 51 CYS HB2 H 1 3.04 0.003 . 1 . . . . . . . . . 6419 1 470 . 1 1 51 51 CYS HB3 H 1 3.88 0.001 . 1 . . . . . . . . . 6419 1 471 . 1 1 52 52 THR N N 15 119.66 0.060 . 1 . . . . . . . . . 6419 1 472 . 1 1 52 52 THR H H 1 8.86 0.003 . 1 . . . . . . . . . 6419 1 473 . 1 1 52 52 THR CA C 13 59.22 0.110 . 1 . . . . . . . . . 6419 1 474 . 1 1 52 52 THR HA H 1 4.55 0.016 . 1 . . . . . . . . . 6419 1 475 . 1 1 52 52 THR CB C 13 71.24 0.070 . 1 . . . . . . . . . 6419 1 476 . 1 1 52 52 THR HB H 1 4.42 0.006 . 1 . . . . . . . . . 6419 1 477 . 1 1 52 52 THR CG2 C 13 20.33 0.010 . 1 . . . . . . . . . 6419 1 478 . 1 1 52 52 THR HG21 H 1 0.88 0.005 . 1 . . . . . . . . . 6419 1 479 . 1 1 52 52 THR HG22 H 1 0.88 0.005 . 1 . . . . . . . . . 6419 1 480 . 1 1 52 52 THR HG23 H 1 0.88 0.005 . 1 . . . . . . . . . 6419 1 481 . 1 1 53 53 LEU N N 15 123.75 0.060 . 1 . . . . . . . . . 6419 1 482 . 1 1 53 53 LEU H H 1 8.95 0.002 . 1 . . . . . . . . . 6419 1 483 . 1 1 53 53 LEU CA C 13 55.81 0.090 . 1 . . . . . . . . . 6419 1 484 . 1 1 53 53 LEU HA H 1 4.50 0.004 . 1 . . . . . . . . . 6419 1 485 . 1 1 53 53 LEU CB C 13 42.97 0.030 . 1 . . . . . . . . . 6419 1 486 . 1 1 53 53 LEU HB2 H 1 1.05 0.006 . 1 . . . . . . . . . 6419 1 487 . 1 1 53 53 LEU HB3 H 1 1.75 0.005 . 1 . . . . . . . . . 6419 1 488 . 1 1 53 53 LEU CG C 13 26.70 0.020 . 1 . . . . . . . . . 6419 1 489 . 1 1 53 53 LEU HG H 1 1.28 0.006 . 1 . . . . . . . . . 6419 1 490 . 1 1 53 53 LEU CD1 C 13 23.59 0.050 . 1 . . . . . . . . . 6419 1 491 . 1 1 53 53 LEU HD11 H 1 0.63 0.005 . 2 . . . . . . . . . 6419 1 492 . 1 1 53 53 LEU HD12 H 1 0.63 0.005 . 2 . . . . . . . . . 6419 1 493 . 1 1 53 53 LEU HD13 H 1 0.63 0.005 . 2 . . . . . . . . . 6419 1 494 . 1 1 53 53 LEU CD2 C 13 25.79 0.030 . 1 . . . . . . . . . 6419 1 495 . 1 1 53 53 LEU HD21 H 1 0.73 0.004 . 2 . . . . . . . . . 6419 1 496 . 1 1 53 53 LEU HD22 H 1 0.73 0.004 . 2 . . . . . . . . . 6419 1 497 . 1 1 53 53 LEU HD23 H 1 0.73 0.004 . 2 . . . . . . . . . 6419 1 498 . 1 1 54 54 ASP N N 15 127.15 0.100 . 1 . . . . . . . . . 6419 1 499 . 1 1 54 54 ASP H H 1 8.58 0.003 . 1 . . . . . . . . . 6419 1 500 . 1 1 54 54 ASP CA C 13 53.86 0.080 . 1 . . . . . . . . . 6419 1 501 . 1 1 54 54 ASP HA H 1 4.59 0.013 . 1 . . . . . . . . . 6419 1 502 . 1 1 54 54 ASP CB C 13 41.62 0.020 . 1 . . . . . . . . . 6419 1 503 . 1 1 54 54 ASP HB2 H 1 2.27 0.004 . 1 . . . . . . . . . 6419 1 504 . 1 1 54 54 ASP HB3 H 1 2.89 0.005 . 1 . . . . . . . . . 6419 1 505 . 1 1 55 55 LYS N N 15 124.41 0.030 . 1 . . . . . . . . . 6419 1 506 . 1 1 55 55 LYS H H 1 8.44 0.004 . 1 . . . . . . . . . 6419 1 507 . 1 1 55 55 LYS CA C 13 57.57 0.010 . 1 . . . . . . . . . 6419 1 508 . 1 1 55 55 LYS HA H 1 4.06 0.008 . 1 . . . . . . . . . 6419 1 509 . 1 1 55 55 LYS CB C 13 32.74 0.070 . 1 . . . . . . . . . 6419 1 510 . 1 1 55 55 LYS HB2 H 1 1.73 0.008 . 1 . . . . . . . . . 6419 1 511 . 1 1 55 55 LYS HB3 H 1 1.78 0.003 . 1 . . . . . . . . . 6419 1 512 . 1 1 55 55 LYS CG C 13 24.67 0.000 . 1 . . . . . . . . . 6419 1 513 . 1 1 55 55 LYS HG2 H 1 1.35 0.000 . 1 . . . . . . . . . 6419 1 514 . 1 1 55 55 LYS HG3 H 1 1.42 0.002 . 1 . . . . . . . . . 6419 1 515 . 1 1 55 55 LYS CD C 13 28.90 0.010 . 1 . . . . . . . . . 6419 1 516 . 1 1 55 55 LYS CE C 13 41.85 0.180 . 1 . . . . . . . . . 6419 1 517 . 1 1 55 55 LYS HD2 H 1 1.67 0.001 . 2 . . . . . . . . . 6419 1 518 . 1 1 55 55 LYS HE2 H 1 2.93 0.003 . 2 . . . . . . . . . 6419 1 519 . 1 1 56 56 GLU N N 15 120.38 0.070 . 1 . . . . . . . . . 6419 1 520 . 1 1 56 56 GLU H H 1 8.26 0.004 . 1 . . . . . . . . . 6419 1 521 . 1 1 56 56 GLU CA C 13 57.52 0.020 . 1 . . . . . . . . . 6419 1 522 . 1 1 56 56 GLU HA H 1 4.11 0.011 . 1 . . . . . . . . . 6419 1 523 . 1 1 56 56 GLU CB C 13 29.47 0.040 . 1 . . . . . . . . . 6419 1 524 . 1 1 56 56 GLU HB2 H 1 1.92 0.016 . 1 . . . . . . . . . 6419 1 525 . 1 1 56 56 GLU HB3 H 1 2.02 0.000 . 1 . . . . . . . . . 6419 1 526 . 1 1 56 56 GLU CG C 13 36.06 0.010 . 1 . . . . . . . . . 6419 1 527 . 1 1 56 56 GLU HG2 H 1 2.19 0.000 . 1 . . . . . . . . . 6419 1 528 . 1 1 56 56 GLU HG3 H 1 2.27 0.000 . 1 . . . . . . . . . 6419 1 529 . 1 1 57 57 GLU N N 15 121.71 0.090 . 1 . . . . . . . . . 6419 1 530 . 1 1 57 57 GLU H H 1 8.30 0.009 . 1 . . . . . . . . . 6419 1 531 . 1 1 57 57 GLU CA C 13 57.27 0.010 . 1 . . . . . . . . . 6419 1 532 . 1 1 57 57 GLU HA H 1 4.09 0.003 . 1 . . . . . . . . . 6419 1 533 . 1 1 57 57 GLU CB C 13 29.82 0.010 . 1 . . . . . . . . . 6419 1 534 . 1 1 57 57 GLU CG C 13 35.76 0.010 . 1 . . . . . . . . . 6419 1 535 . 1 1 57 57 GLU HG2 H 1 2.18 0.000 . 1 . . . . . . . . . 6419 1 536 . 1 1 57 57 GLU HG3 H 1 2.27 0.000 . 1 . . . . . . . . . 6419 1 537 . 1 1 57 57 GLU HB2 H 1 1.95 0.016 . 2 . . . . . . . . . 6419 1 538 . 1 1 58 58 ALA N N 15 122.96 0.070 . 1 . . . . . . . . . 6419 1 539 . 1 1 58 58 ALA H H 1 8.32 0.005 . 1 . . . . . . . . . 6419 1 540 . 1 1 58 58 ALA CA C 13 53.41 0.060 . 1 . . . . . . . . . 6419 1 541 . 1 1 58 58 ALA HA H 1 4.08 0.004 . 1 . . . . . . . . . 6419 1 542 . 1 1 58 58 ALA CB C 13 18.49 0.060 . 1 . . . . . . . . . 6419 1 543 . 1 1 58 58 ALA HB1 H 1 1.35 0.008 . 1 . . . . . . . . . 6419 1 544 . 1 1 58 58 ALA HB2 H 1 1.35 0.008 . 1 . . . . . . . . . 6419 1 545 . 1 1 58 58 ALA HB3 H 1 1.35 0.008 . 1 . . . . . . . . . 6419 1 546 . 1 1 59 59 LYS N N 15 119.30 0.070 . 1 . . . . . . . . . 6419 1 547 . 1 1 59 59 LYS H H 1 7.83 0.004 . 1 . . . . . . . . . 6419 1 548 . 1 1 59 59 LYS CA C 13 56.84 0.110 . 1 . . . . . . . . . 6419 1 549 . 1 1 59 59 LYS HA H 1 4.13 0.005 . 1 . . . . . . . . . 6419 1 550 . 1 1 59 59 LYS CB C 13 32.68 0.010 . 1 . . . . . . . . . 6419 1 551 . 1 1 59 59 LYS HB2 H 1 1.72 0.017 . 1 . . . . . . . . . 6419 1 552 . 1 1 59 59 LYS HB3 H 1 1.78 0.001 . 1 . . . . . . . . . 6419 1 553 . 1 1 59 59 LYS CG C 13 24.57 0.010 . 1 . . . . . . . . . 6419 1 554 . 1 1 59 59 LYS HG2 H 1 1.35 0.022 . 1 . . . . . . . . . 6419 1 555 . 1 1 59 59 LYS HG3 H 1 1.44 0.003 . 1 . . . . . . . . . 6419 1 556 . 1 1 59 59 LYS CD C 13 28.95 0.000 . 1 . . . . . . . . . 6419 1 557 . 1 1 59 59 LYS CE C 13 41.94 0.010 . 1 . . . . . . . . . 6419 1 558 . 1 1 59 59 LYS HD2 H 1 1.61 0.004 . 2 . . . . . . . . . 6419 1 559 . 1 1 59 59 LYS HE2 H 1 2.90 0.004 . 2 . . . . . . . . . 6419 1 560 . 1 1 60 60 LYS N N 15 121.25 0.060 . 1 . . . . . . . . . 6419 1 561 . 1 1 60 60 LYS H H 1 7.89 0.009 . 1 . . . . . . . . . 6419 1 562 . 1 1 60 60 LYS CA C 13 56.94 0.140 . 1 . . . . . . . . . 6419 1 563 . 1 1 60 60 LYS HA H 1 4.18 0.005 . 1 . . . . . . . . . 6419 1 564 . 1 1 60 60 LYS CB C 13 32.70 0.080 . 1 . . . . . . . . . 6419 1 565 . 1 1 60 60 LYS HB2 H 1 1.72 0.018 . 1 . . . . . . . . . 6419 1 566 . 1 1 60 60 LYS HB3 H 1 1.78 0.015 . 1 . . . . . . . . . 6419 1 567 . 1 1 60 60 LYS CG C 13 24.59 0.050 . 1 . . . . . . . . . 6419 1 568 . 1 1 60 60 LYS HG2 H 1 1.32 0.014 . 1 . . . . . . . . . 6419 1 569 . 1 1 60 60 LYS HG3 H 1 1.42 0.015 . 1 . . . . . . . . . 6419 1 570 . 1 1 60 60 LYS CD C 13 29.05 0.000 . 1 . . . . . . . . . 6419 1 571 . 1 1 60 60 LYS CE C 13 41.93 0.000 . 1 . . . . . . . . . 6419 1 572 . 1 1 60 60 LYS HD2 H 1 1.60 0.006 . 2 . . . . . . . . . 6419 1 573 . 1 1 60 60 LYS HE2 H 1 2.89 0.006 . 2 . . . . . . . . . 6419 1 574 . 1 1 61 61 VAL N N 15 119.83 0.050 . 1 . . . . . . . . . 6419 1 575 . 1 1 61 61 VAL H H 1 7.98 0.006 . 1 . . . . . . . . . 6419 1 576 . 1 1 61 61 VAL CA C 13 62.85 0.070 . 1 . . . . . . . . . 6419 1 577 . 1 1 61 61 VAL HA H 1 3.95 0.013 . 1 . . . . . . . . . 6419 1 578 . 1 1 61 61 VAL CB C 13 32.44 0.070 . 1 . . . . . . . . . 6419 1 579 . 1 1 61 61 VAL HB H 1 2.02 0.013 . 1 . . . . . . . . . 6419 1 580 . 1 1 61 61 VAL CG1 C 13 20.70 0.060 . 1 . . . . . . . . . 6419 1 581 . 1 1 61 61 VAL HG11 H 1 0.84 0.002 . 2 . . . . . . . . . 6419 1 582 . 1 1 61 61 VAL HG12 H 1 0.84 0.002 . 2 . . . . . . . . . 6419 1 583 . 1 1 61 61 VAL HG13 H 1 0.84 0.002 . 2 . . . . . . . . . 6419 1 584 . 1 1 61 61 VAL CG2 C 13 20.63 0.000 . 1 . . . . . . . . . 6419 1 585 . 1 1 61 61 VAL HG21 H 1 0.89 0.001 . 2 . . . . . . . . . 6419 1 586 . 1 1 61 61 VAL HG22 H 1 0.89 0.001 . 2 . . . . . . . . . 6419 1 587 . 1 1 61 61 VAL HG23 H 1 0.89 0.001 . 2 . . . . . . . . . 6419 1 588 . 1 1 62 62 ALA N N 15 126.18 0.040 . 1 . . . . . . . . . 6419 1 589 . 1 1 62 62 ALA H H 1 8.13 0.002 . 1 . . . . . . . . . 6419 1 590 . 1 1 62 62 ALA CA C 13 52.96 0.010 . 1 . . . . . . . . . 6419 1 591 . 1 1 62 62 ALA HA H 1 4.19 0.010 . 1 . . . . . . . . . 6419 1 592 . 1 1 62 62 ALA CB C 13 19.02 0.050 . 1 . . . . . . . . . 6419 1 593 . 1 1 62 62 ALA HB1 H 1 1.35 0.006 . 1 . . . . . . . . . 6419 1 594 . 1 1 62 62 ALA HB2 H 1 1.35 0.006 . 1 . . . . . . . . . 6419 1 595 . 1 1 62 62 ALA HB3 H 1 1.35 0.006 . 1 . . . . . . . . . 6419 1 596 . 1 1 63 63 ASP N N 15 119.33 0.030 . 1 . . . . . . . . . 6419 1 597 . 1 1 63 63 ASP H H 1 8.21 0.007 . 1 . . . . . . . . . 6419 1 598 . 1 1 63 63 ASP CA C 13 54.60 0.010 . 1 . . . . . . . . . 6419 1 599 . 1 1 63 63 ASP HA H 1 4.49 0.013 . 1 . . . . . . . . . 6419 1 600 . 1 1 63 63 ASP CB C 13 40.96 0.020 . 1 . . . . . . . . . 6419 1 601 . 1 1 63 63 ASP HB2 H 1 2.61 0.012 . 2 . . . . . . . . . 6419 1 602 . 1 1 64 64 GLU N N 15 121.12 0.040 . 1 . . . . . . . . . 6419 1 603 . 1 1 64 64 GLU H H 1 8.34 0.003 . 1 . . . . . . . . . 6419 1 604 . 1 1 64 64 GLU CA C 13 57.09 0.010 . 1 . . . . . . . . . 6419 1 605 . 1 1 64 64 GLU HA H 1 4.23 0.027 . 1 . . . . . . . . . 6419 1 606 . 1 1 64 64 GLU CB C 13 29.77 0.080 . 1 . . . . . . . . . 6419 1 607 . 1 1 64 64 GLU HB2 H 1 1.94 0.013 . 1 . . . . . . . . . 6419 1 608 . 1 1 64 64 GLU HB3 H 1 2.06 0.001 . 1 . . . . . . . . . 6419 1 609 . 1 1 64 64 GLU CG C 13 36.16 0.020 . 1 . . . . . . . . . 6419 1 610 . 1 1 64 64 GLU HG2 H 1 2.20 0.000 . 1 . . . . . . . . . 6419 1 611 . 1 1 64 64 GLU HG3 H 1 2.27 0.000 . 1 . . . . . . . . . 6419 1 612 . 1 1 65 65 THR N N 15 113.93 0.040 . 1 . . . . . . . . . 6419 1 613 . 1 1 65 65 THR H H 1 8.12 0.003 . 1 . . . . . . . . . 6419 1 614 . 1 1 65 65 THR CA C 13 62.61 0.050 . 1 . . . . . . . . . 6419 1 615 . 1 1 65 65 THR HA H 1 4.17 0.010 . 1 . . . . . . . . . 6419 1 616 . 1 1 65 65 THR CB C 13 69.58 0.030 . 1 . . . . . . . . . 6419 1 617 . 1 1 65 65 THR HB H 1 4.16 0.000 . 1 . . . . . . . . . 6419 1 618 . 1 1 65 65 THR CG2 C 13 21.42 0.000 . 1 . . . . . . . . . 6419 1 619 . 1 1 65 65 THR HG21 H 1 1.17 0.012 . 1 . . . . . . . . . 6419 1 620 . 1 1 65 65 THR HG22 H 1 1.17 0.012 . 1 . . . . . . . . . 6419 1 621 . 1 1 65 65 THR HG23 H 1 1.17 0.012 . 1 . . . . . . . . . 6419 1 622 . 1 1 66 66 ALA N N 15 125.48 0.030 . 1 . . . . . . . . . 6419 1 623 . 1 1 66 66 ALA H H 1 8.03 0.005 . 1 . . . . . . . . . 6419 1 624 . 1 1 66 66 ALA CA C 13 52.62 0.010 . 1 . . . . . . . . . 6419 1 625 . 1 1 66 66 ALA HA H 1 4.23 0.015 . 1 . . . . . . . . . 6419 1 626 . 1 1 66 66 ALA CB C 13 18.84 0.050 . 1 . . . . . . . . . 6419 1 627 . 1 1 66 66 ALA HB1 H 1 1.33 0.014 . 1 . . . . . . . . . 6419 1 628 . 1 1 66 66 ALA HB2 H 1 1.33 0.014 . 1 . . . . . . . . . 6419 1 629 . 1 1 66 66 ALA HB3 H 1 1.33 0.014 . 1 . . . . . . . . . 6419 1 630 . 1 1 67 67 LYS N N 15 119.93 0.040 . 1 . . . . . . . . . 6419 1 631 . 1 1 67 67 LYS H H 1 8.09 0.006 . 1 . . . . . . . . . 6419 1 632 . 1 1 67 67 LYS CA C 13 56.52 0.090 . 1 . . . . . . . . . 6419 1 633 . 1 1 67 67 LYS HA H 1 4.20 0.006 . 1 . . . . . . . . . 6419 1 634 . 1 1 67 67 LYS CB C 13 32.72 0.050 . 1 . . . . . . . . . 6419 1 635 . 1 1 67 67 LYS HB2 H 1 1.71 0.005 . 1 . . . . . . . . . 6419 1 636 . 1 1 67 67 LYS HB3 H 1 1.79 0.013 . 1 . . . . . . . . . 6419 1 637 . 1 1 67 67 LYS CG C 13 24.55 0.090 . 1 . . . . . . . . . 6419 1 638 . 1 1 67 67 LYS CD C 13 28.92 0.010 . 1 . . . . . . . . . 6419 1 639 . 1 1 67 67 LYS CE C 13 42.00 0.070 . 1 . . . . . . . . . 6419 1 640 . 1 1 67 67 LYS HG2 H 1 1.35 0.001 . 2 . . . . . . . . . 6419 1 641 . 1 1 67 67 LYS HD2 H 1 1.65 0.024 . 2 . . . . . . . . . 6419 1 642 . 1 1 67 67 LYS HE2 H 1 2.91 0.001 . 2 . . . . . . . . . 6419 1 643 . 1 1 68 68 ASP N N 15 120.02 0.040 . 1 . . . . . . . . . 6419 1 644 . 1 1 68 68 ASP H H 1 8.17 0.004 . 1 . . . . . . . . . 6419 1 645 . 1 1 68 68 ASP CA C 13 54.36 0.080 . 1 . . . . . . . . . 6419 1 646 . 1 1 68 68 ASP HA H 1 4.51 0.008 . 1 . . . . . . . . . 6419 1 647 . 1 1 68 68 ASP CB C 13 41.00 0.040 . 1 . . . . . . . . . 6419 1 648 . 1 1 68 68 ASP HB2 H 1 2.63 0.005 . 2 . . . . . . . . . 6419 1 649 . 1 1 69 69 GLY N N 15 108.60 0.030 . 1 . . . . . . . . . 6419 1 650 . 1 1 69 69 GLY H H 1 8.23 0.001 . 1 . . . . . . . . . 6419 1 651 . 1 1 69 69 GLY CA C 13 45.43 0.010 . 1 . . . . . . . . . 6419 1 652 . 1 1 69 69 GLY HA2 H 1 3.89 0.009 . 2 . . . . . . . . . 6419 1 653 . 1 1 70 70 LYS N N 15 120.26 0.020 . 1 . . . . . . . . . 6419 1 654 . 1 1 70 70 LYS H H 1 8.12 0.004 . 1 . . . . . . . . . 6419 1 655 . 1 1 70 70 LYS CA C 13 56.32 0.080 . 1 . . . . . . . . . 6419 1 656 . 1 1 70 70 LYS HA H 1 4.33 0.006 . 1 . . . . . . . . . 6419 1 657 . 1 1 70 70 LYS CB C 13 32.75 0.040 . 1 . . . . . . . . . 6419 1 658 . 1 1 70 70 LYS HB2 H 1 1.74 0.005 . 1 . . . . . . . . . 6419 1 659 . 1 1 70 70 LYS HB3 H 1 1.80 0.011 . 1 . . . . . . . . . 6419 1 660 . 1 1 70 70 LYS CG C 13 24.51 0.040 . 1 . . . . . . . . . 6419 1 661 . 1 1 70 70 LYS HG2 H 1 1.33 0.000 . 1 . . . . . . . . . 6419 1 662 . 1 1 70 70 LYS HG3 H 1 1.39 0.000 . 1 . . . . . . . . . 6419 1 663 . 1 1 70 70 LYS CD C 13 29.17 0.010 . 1 . . . . . . . . . 6419 1 664 . 1 1 70 70 LYS CE C 13 42.02 0.050 . 1 . . . . . . . . . 6419 1 665 . 1 1 70 70 LYS HD2 H 1 1.61 0.007 . 2 . . . . . . . . . 6419 1 666 . 1 1 70 70 LYS HE2 H 1 2.91 0.006 . 2 . . . . . . . . . 6419 1 667 . 1 1 71 71 THR N N 15 114.04 0.060 . 1 . . . . . . . . . 6419 1 668 . 1 1 71 71 THR H H 1 8.12 0.003 . 1 . . . . . . . . . 6419 1 669 . 1 1 71 71 THR CA C 13 61.76 0.030 . 1 . . . . . . . . . 6419 1 670 . 1 1 71 71 THR HA H 1 4.27 0.014 . 1 . . . . . . . . . 6419 1 671 . 1 1 71 71 THR CB C 13 69.69 0.020 . 1 . . . . . . . . . 6419 1 672 . 1 1 71 71 THR HB H 1 4.17 0.006 . 1 . . . . . . . . . 6419 1 673 . 1 1 71 71 THR CG2 C 13 21.22 0.000 . 1 . . . . . . . . . 6419 1 674 . 1 1 71 71 THR HG21 H 1 1.13 0.010 . 1 . . . . . . . . . 6419 1 675 . 1 1 71 71 THR HG22 H 1 1.13 0.010 . 1 . . . . . . . . . 6419 1 676 . 1 1 71 71 THR HG23 H 1 1.13 0.010 . 1 . . . . . . . . . 6419 1 677 . 1 1 72 72 GLY N N 15 110.59 0.060 . 1 . . . . . . . . . 6419 1 678 . 1 1 72 72 GLY H H 1 8.34 0.003 . 1 . . . . . . . . . 6419 1 679 . 1 1 72 72 GLY CA C 13 45.19 0.030 . 1 . . . . . . . . . 6419 1 680 . 1 1 72 72 GLY HA2 H 1 3.91 0.005 . 2 . . . . . . . . . 6419 1 681 . 1 1 73 73 ASN N N 15 118.48 0.020 . 1 . . . . . . . . . 6419 1 682 . 1 1 73 73 ASN H H 1 8.30 0.003 . 1 . . . . . . . . . 6419 1 683 . 1 1 73 73 ASN CA C 13 53.04 0.010 . 1 . . . . . . . . . 6419 1 684 . 1 1 73 73 ASN HA H 1 4.71 0.014 . 1 . . . . . . . . . 6419 1 685 . 1 1 73 73 ASN CB C 13 39.02 0.010 . 1 . . . . . . . . . 6419 1 686 . 1 1 73 73 ASN HB2 H 1 2.71 0.001 . 1 . . . . . . . . . 6419 1 687 . 1 1 73 73 ASN HB3 H 1 2.79 0.003 . 1 . . . . . . . . . 6419 1 688 . 1 1 73 73 ASN ND2 N 15 112.44 0.250 . 1 . . . . . . . . . 6419 1 689 . 1 1 73 73 ASN HD21 H 1 6.85 0.004 . 1 . . . . . . . . . 6419 1 690 . 1 1 73 73 ASN HD22 H 1 7.53 0.001 . 1 . . . . . . . . . 6419 1 691 . 1 1 74 74 THR N N 15 114.06 0.000 . 1 . . . . . . . . . 6419 1 692 . 1 1 74 74 THR H H 1 8.16 0.000 . 1 . . . . . . . . . 6419 1 693 . 1 1 74 74 THR CA C 13 61.79 0.060 . 1 . . . . . . . . . 6419 1 694 . 1 1 74 74 THR HA H 1 4.30 0.003 . 1 . . . . . . . . . 6419 1 695 . 1 1 74 74 THR CB C 13 69.54 0.020 . 1 . . . . . . . . . 6419 1 696 . 1 1 74 74 THR HB H 1 4.18 0.001 . 1 . . . . . . . . . 6419 1 697 . 1 1 74 74 THR CG2 C 13 21.26 0.010 . 1 . . . . . . . . . 6419 1 698 . 1 1 74 74 THR HG21 H 1 1.11 0.001 . 1 . . . . . . . . . 6419 1 699 . 1 1 74 74 THR HG22 H 1 1.11 0.001 . 1 . . . . . . . . . 6419 1 700 . 1 1 74 74 THR HG23 H 1 1.11 0.001 . 1 . . . . . . . . . 6419 1 701 . 1 1 75 75 ASN N N 15 120.80 0.060 . 1 . . . . . . . . . 6419 1 702 . 1 1 75 75 ASN H H 1 8.46 0.003 . 1 . . . . . . . . . 6419 1 703 . 1 1 75 75 ASN CA C 13 53.19 0.060 . 1 . . . . . . . . . 6419 1 704 . 1 1 75 75 ASN HA H 1 4.72 0.013 . 1 . . . . . . . . . 6419 1 705 . 1 1 75 75 ASN CB C 13 38.80 0.030 . 1 . . . . . . . . . 6419 1 706 . 1 1 75 75 ASN HB2 H 1 2.72 0.017 . 1 . . . . . . . . . 6419 1 707 . 1 1 75 75 ASN HB3 H 1 2.81 0.001 . 1 . . . . . . . . . 6419 1 708 . 1 1 76 76 THR N N 15 113.95 0.000 . 1 . . . . . . . . . 6419 1 709 . 1 1 76 76 THR H H 1 8.16 0.000 . 1 . . . . . . . . . 6419 1 710 . 1 1 76 76 THR CA C 13 61.59 0.050 . 1 . . . . . . . . . 6419 1 711 . 1 1 76 76 THR HA H 1 4.36 0.001 . 1 . . . . . . . . . 6419 1 712 . 1 1 76 76 THR CB C 13 69.58 0.020 . 1 . . . . . . . . . 6419 1 713 . 1 1 76 76 THR HB H 1 4.22 0.003 . 1 . . . . . . . . . 6419 1 714 . 1 1 76 76 THR CG2 C 13 21.21 0.020 . 1 . . . . . . . . . 6419 1 715 . 1 1 76 76 THR HG21 H 1 1.11 0.002 . 1 . . . . . . . . . 6419 1 716 . 1 1 76 76 THR HG22 H 1 1.11 0.002 . 1 . . . . . . . . . 6419 1 717 . 1 1 76 76 THR HG23 H 1 1.11 0.002 . 1 . . . . . . . . . 6419 1 718 . 1 1 77 77 THR N N 15 115.43 0.050 . 1 . . . . . . . . . 6419 1 719 . 1 1 77 77 THR H H 1 8.14 0.003 . 1 . . . . . . . . . 6419 1 720 . 1 1 77 77 THR CA C 13 62.01 0.050 . 1 . . . . . . . . . 6419 1 721 . 1 1 77 77 THR HA H 1 4.29 0.011 . 1 . . . . . . . . . 6419 1 722 . 1 1 77 77 THR CB C 13 69.58 0.130 . 1 . . . . . . . . . 6419 1 723 . 1 1 77 77 THR HB H 1 4.19 0.003 . 1 . . . . . . . . . 6419 1 724 . 1 1 77 77 THR CG2 C 13 21.24 0.020 . 1 . . . . . . . . . 6419 1 725 . 1 1 77 77 THR HG21 H 1 1.14 0.008 . 1 . . . . . . . . . 6419 1 726 . 1 1 77 77 THR HG22 H 1 1.14 0.008 . 1 . . . . . . . . . 6419 1 727 . 1 1 77 77 THR HG23 H 1 1.14 0.008 . 1 . . . . . . . . . 6419 1 728 . 1 1 78 78 GLY N N 15 111.13 0.080 . 1 . . . . . . . . . 6419 1 729 . 1 1 78 78 GLY H H 1 8.36 0.002 . 1 . . . . . . . . . 6419 1 730 . 1 1 78 78 GLY CA C 13 45.22 0.020 . 1 . . . . . . . . . 6419 1 731 . 1 1 78 78 GLY HA2 H 1 3.96 0.007 . 2 . . . . . . . . . 6419 1 732 . 1 1 79 79 SER N N 15 115.55 0.040 . 1 . . . . . . . . . 6419 1 733 . 1 1 79 79 SER H H 1 8.16 0.002 . 1 . . . . . . . . . 6419 1 734 . 1 1 79 79 SER CA C 13 58.00 0.080 . 1 . . . . . . . . . 6419 1 735 . 1 1 79 79 SER HA H 1 4.47 0.010 . 1 . . . . . . . . . 6419 1 736 . 1 1 79 79 SER CB C 13 64.11 0.150 . 1 . . . . . . . . . 6419 1 737 . 1 1 79 79 SER HB2 H 1 3.81 0.007 . 2 . . . . . . . . . 6419 1 738 . 1 1 80 80 SER N N 15 122.72 0.030 . 1 . . . . . . . . . 6419 1 739 . 1 1 80 80 SER H H 1 7.98 0.003 . 1 . . . . . . . . . 6419 1 740 . 1 1 80 80 SER CA C 13 59.92 0.110 . 1 . . . . . . . . . 6419 1 741 . 1 1 80 80 SER HA H 1 4.22 0.009 . 1 . . . . . . . . . 6419 1 742 . 1 1 80 80 SER CB C 13 64.37 0.010 . 1 . . . . . . . . . 6419 1 743 . 1 1 80 80 SER HB2 H 1 3.77 0.007 . 2 . . . . . . . . . 6419 1 stop_ save_