data_4023 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4023 _Entry.Title ; 1H, 13C and 15N Resonance Assignments for the Z Domain of Staphylococcal Protein A at pH* 6.5 and Temperature of 30 deg. C ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1997-01-15 _Entry.Accession_date 1997-04-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Mitsuru Tashiro . . . 4023 2 Roberto Tejero . . . 4023 3 Diane Zimmerman . E. . 4023 4 Bernardo Celda . . . 4023 5 Bjorn Nilsson . . . 4023 6 Gaetano Montelione . T. . 4023 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4023 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 329 4023 '15N chemical shifts' 82 4023 '1H chemical shifts' 517 4023 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 . . 2001-02-16 . reformat BMRB 'Format updated to NMR-STAR version 2.1' 4023 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4023 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9325113 _Citation.Full_citation . _Citation.Title ; High Resolution Solution NMR Structure of the Z Domain of Staphylococcal Protein A ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 272 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 573 _Citation.Page_last 590 _Citation.Year 1997 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mitsuru Tashiro . . . 4023 1 2 Roberto Tejero . . . 4023 1 3 Diane Zimmerman . E. . 4023 1 4 Bernardo Celda . . . 4023 1 5 Bjorn Nilsson . . . 4023 1 6 Gaetano Montelione . T. . 4023 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_staphylococcal_protein_A_Z_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_staphylococcal_protein_A_Z_domain _Assembly.Entry_ID 4023 _Assembly.ID 1 _Assembly.Name 'staphylococcal protein A Z domain' _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 'not present' _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 4023 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 'staphylococcal protein A Z domain' 1 $staphylococcal_protein_A_Z_domain . . . native . . . . . 4023 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 . PDB 1SPZ . 'Staphylococcal Protein A, Z-Domain' . . . . 4023 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'staphylococcal protein A Z domain' system 4023 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_staphylococcal_protein_A_Z_domain _Entity.Sf_category entity _Entity.Sf_framecode staphylococcal_protein_A_Z_domain _Entity.Entry_ID 4023 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'staphylococcal protein A Z domain' _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 ; KAIFVLNAQHDEAVDNKFNK EQQNAFYEILHLPNLNEEQR NAFIQSLKDDPSQSANLLAE AKKLNDAQAPK ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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 . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19043 . Z_domain . . . . . 81.69 58 100.00 100.00 7.30e-31 . . . . 4023 1 2 no PDB 1H0T . "An Affibody In Complex With A Target Protein: Structure And Coupled Folding" . . . . . 81.69 58 100.00 100.00 7.30e-31 . . . . 4023 1 3 no PDB 1LP1 . "Protein Z In Complex With An In Vitro Selected Affibody" . . . . . 81.69 58 100.00 100.00 7.30e-31 . . . . 4023 1 4 no PDB 1Q2N . "Refined Solution Nmr Structure Of The Z Domain Of Staphylococcal Protein A" . . . . . 81.69 58 100.00 100.00 7.30e-31 . . . . 4023 1 5 no PDB 2M5A . "Protein A Binding By An Engineered Affibody Molecule" . . . . . 81.69 58 100.00 100.00 7.30e-31 . . . . 4023 1 6 no PDB 2SPZ . "Staphylococcal Protein A, Z-Domain, Nmr, 10 Structures" . . . . . 81.69 58 100.00 100.00 7.30e-31 . . . . 4023 1 7 no PDB 4GWP . "Structure Of The Mediator Head Module From S. Cerevisiae" . . . . . 81.69 407 98.28 98.28 2.29e-28 . . . . 4023 1 8 no PDB 4GWQ . "Structure Of The Mediator Head Module From S. Cerevisiae In Complex With The Carboxy-Terminal Domain (Ctd) Of Rna Polymerase Ii" . . . . . 81.69 407 98.28 98.28 2.29e-28 . . . . 4023 1 9 no DBJ BAC76617 . "protein A doublet [Cloning vector pscFvCA-E8VHd]" . . . . . 90.14 68 100.00 100.00 2.53e-35 . . . . 4023 1 10 no DBJ BAC76619 . "protein A doublet [Cloning vector pFCAH9-E8d]" . . . . . 81.69 126 100.00 100.00 5.23e-30 . . . . 4023 1 11 no DBJ BAL27690 . "FLAG-TEV cut site-protein A tag [Cloning vector pCtFLATAki-kanMX6]" . . . . . 90.14 86 100.00 100.00 3.18e-35 . . . . 4023 1 12 no DBJ BAL27694 . "Spac323.08-FLATA [Targeting vector pCtFLATAki-Pspac323.08-SalI-spac323.08(+)-kanMX6T]" . . . . . 90.14 298 100.00 100.00 2.50e-34 . . . . 4023 1 13 no DBJ BAL27697 . "HA-TEV cut site-protein A tag [Schizosaccharomyces pombe expression vector pFOX1-CHATA]" . . . . . 90.14 87 100.00 100.00 4.19e-35 . . . . 4023 1 14 no EMBL CAA49867 . "staphylococcal protein A [synthetic construct]" . . . . . 80.28 88 98.25 98.25 9.35e-30 . . . . 4023 1 15 no EMBL CAA65431 . "protein A [synthetic construct]" . . . . . 81.69 318 100.00 100.00 1.19e-28 . . . . 4023 1 16 no GB AAA72944 . "bifunctional fusion protein, partial [synthetic construct]" . . . . . 80.28 308 98.25 98.25 1.33e-30 . . . . 4023 1 17 no GB AAB00807 . "ZZ:beta-Gal' IgG-binding fusion protein [Cloning vector pKP497]" . . . . . 81.69 215 100.00 100.00 1.14e-29 . . . . 4023 1 18 no GB AAR10383 . "C-terminal TAP tag [synthetic construct]" . . . . . 81.69 194 100.00 100.00 2.95e-30 . . . . 4023 1 19 no GB AAR10384 . "N-terminal TAP tag [synthetic construct]" . . . . . 81.69 199 100.00 100.00 2.56e-30 . . . . 4023 1 20 no GB AAR10385 . "N-terminal TAP tag [synthetic construct]" . . . . . 81.69 200 100.00 100.00 1.87e-30 . . . . 4023 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'staphylococcal protein A Z domain' common 4023 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 -13 LYS . 4023 1 2 -12 ALA . 4023 1 3 -11 ILE . 4023 1 4 -10 PHE . 4023 1 5 -9 VAL . 4023 1 6 -8 LEU . 4023 1 7 -7 ASN . 4023 1 8 -6 ALA . 4023 1 9 -5 GLN . 4023 1 10 -4 HIS . 4023 1 11 -3 ASP . 4023 1 12 -2 GLU . 4023 1 13 -1 ALA . 4023 1 14 1 VAL . 4023 1 15 2 ASP . 4023 1 16 3 ASN . 4023 1 17 4 LYS . 4023 1 18 5 PHE . 4023 1 19 6 ASN . 4023 1 20 7 LYS . 4023 1 21 8 GLU . 4023 1 22 9 GLN . 4023 1 23 10 GLN . 4023 1 24 11 ASN . 4023 1 25 12 ALA . 4023 1 26 13 PHE . 4023 1 27 14 TYR . 4023 1 28 15 GLU . 4023 1 29 16 ILE . 4023 1 30 17 LEU . 4023 1 31 18 HIS . 4023 1 32 19 LEU . 4023 1 33 20 PRO . 4023 1 34 21 ASN . 4023 1 35 22 LEU . 4023 1 36 23 ASN . 4023 1 37 24 GLU . 4023 1 38 25 GLU . 4023 1 39 26 GLN . 4023 1 40 27 ARG . 4023 1 41 28 ASN . 4023 1 42 29 ALA . 4023 1 43 30 PHE . 4023 1 44 31 ILE . 4023 1 45 32 GLN . 4023 1 46 33 SER . 4023 1 47 34 LEU . 4023 1 48 35 LYS . 4023 1 49 36 ASP . 4023 1 50 37 ASP . 4023 1 51 38 PRO . 4023 1 52 39 SER . 4023 1 53 40 GLN . 4023 1 54 41 SER . 4023 1 55 42 ALA . 4023 1 56 43 ASN . 4023 1 57 44 LEU . 4023 1 58 45 LEU . 4023 1 59 46 ALA . 4023 1 60 47 GLU . 4023 1 61 48 ALA . 4023 1 62 49 LYS . 4023 1 63 50 LYS . 4023 1 64 51 LEU . 4023 1 65 52 ASN . 4023 1 66 53 ASP . 4023 1 67 54 ALA . 4023 1 68 55 GLN . 4023 1 69 56 ALA . 4023 1 70 57 PRO . 4023 1 71 58 LYS . 4023 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 . LYS 1 1 4023 1 . ALA 2 2 4023 1 . ILE 3 3 4023 1 . PHE 4 4 4023 1 . VAL 5 5 4023 1 . LEU 6 6 4023 1 . ASN 7 7 4023 1 . ALA 8 8 4023 1 . GLN 9 9 4023 1 . HIS 10 10 4023 1 . ASP 11 11 4023 1 . GLU 12 12 4023 1 . ALA 13 13 4023 1 . VAL 14 14 4023 1 . ASP 15 15 4023 1 . ASN 16 16 4023 1 . LYS 17 17 4023 1 . PHE 18 18 4023 1 . ASN 19 19 4023 1 . LYS 20 20 4023 1 . GLU 21 21 4023 1 . GLN 22 22 4023 1 . GLN 23 23 4023 1 . ASN 24 24 4023 1 . ALA 25 25 4023 1 . PHE 26 26 4023 1 . TYR 27 27 4023 1 . GLU 28 28 4023 1 . ILE 29 29 4023 1 . LEU 30 30 4023 1 . HIS 31 31 4023 1 . LEU 32 32 4023 1 . PRO 33 33 4023 1 . ASN 34 34 4023 1 . LEU 35 35 4023 1 . ASN 36 36 4023 1 . GLU 37 37 4023 1 . GLU 38 38 4023 1 . GLN 39 39 4023 1 . ARG 40 40 4023 1 . ASN 41 41 4023 1 . ALA 42 42 4023 1 . PHE 43 43 4023 1 . ILE 44 44 4023 1 . GLN 45 45 4023 1 . SER 46 46 4023 1 . LEU 47 47 4023 1 . LYS 48 48 4023 1 . ASP 49 49 4023 1 . ASP 50 50 4023 1 . PRO 51 51 4023 1 . SER 52 52 4023 1 . GLN 53 53 4023 1 . SER 54 54 4023 1 . ALA 55 55 4023 1 . ASN 56 56 4023 1 . LEU 57 57 4023 1 . LEU 58 58 4023 1 . ALA 59 59 4023 1 . GLU 60 60 4023 1 . ALA 61 61 4023 1 . LYS 62 62 4023 1 . LYS 63 63 4023 1 . LEU 64 64 4023 1 . ASN 65 65 4023 1 . ASP 66 66 4023 1 . ALA 67 67 4023 1 . GLN 68 68 4023 1 . ALA 69 69 4023 1 . PRO 70 70 4023 1 . LYS 71 71 4023 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 4023 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $staphylococcal_protein_A_Z_domain . 1280 organism . 'Staphylococcus aureus' 'S. aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 4023 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 4023 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $staphylococcal_protein_A_Z_domain . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4023 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4023 _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 'staphylococcal protein A Z domain' . . . 1 $staphylococcal_protein_A_Z_domain . . . . . mM . . . . 4023 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4023 _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 4023 1 temperature 303 . K 4023 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4023 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 4023 _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_one Bruker AMX . 600 . . . 4023 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 4023 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4023 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4023 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.25144953 . . . 1 $entry_citation . . 1 $entry_citation 4023 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 . . . . . . 1 $entry_citation . . 1 $entry_citation 4023 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4023 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4023 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 $sample_one . 4023 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS C C 13 174.5 . . 1 . . . . . . . . 4023 1 2 . 1 1 1 1 LYS CA C 13 56.00 . . 1 . . . . . . . . 4023 1 3 . 1 1 1 1 LYS HA H 1 4.35 . . 1 . . . . . . . . 4023 1 4 . 1 1 1 1 LYS CB C 13 33.00 . . 1 . . . . . . . . 4023 1 5 . 1 1 1 1 LYS HB2 H 1 1.75 . . 2 . . . . . . . . 4023 1 6 . 1 1 1 1 LYS HB3 H 1 1.78 . . 2 . . . . . . . . 4023 1 7 . 1 1 1 1 LYS CG C 13 24.4 . . 1 . . . . . . . . 4023 1 8 . 1 1 1 1 LYS HG2 H 1 1.44 . . 1 . . . . . . . . 4023 1 9 . 1 1 1 1 LYS HG3 H 1 1.44 . . 1 . . . . . . . . 4023 1 10 . 1 1 1 1 LYS CD C 13 28.7 . . 1 . . . . . . . . 4023 1 11 . 1 1 1 1 LYS HD2 H 1 1.68 . . 1 . . . . . . . . 4023 1 12 . 1 1 1 1 LYS HD3 H 1 1.68 . . 1 . . . . . . . . 4023 1 13 . 1 1 1 1 LYS CE C 13 41.5 . . 1 . . . . . . . . 4023 1 14 . 1 1 1 1 LYS HE2 H 1 2.98 . . 1 . . . . . . . . 4023 1 15 . 1 1 1 1 LYS HE3 H 1 2.98 . . 1 . . . . . . . . 4023 1 16 . 1 1 2 2 ALA N N 15 126.2 . . 1 . . . . . . . . 4023 1 17 . 1 1 2 2 ALA H H 1 8.4 . . 1 . . . . . . . . 4023 1 18 . 1 1 2 2 ALA C C 13 175.9 . . 1 . . . . . . . . 4023 1 19 . 1 1 2 2 ALA CA C 13 51.8 . . 1 . . . . . . . . 4023 1 20 . 1 1 2 2 ALA HA H 1 4.3 . . 1 . . . . . . . . 4023 1 21 . 1 1 2 2 ALA CB C 13 19.00 . . 1 . . . . . . . . 4023 1 22 . 1 1 2 2 ALA HB1 H 1 1.3 . . 1 . . . . . . . . 4023 1 23 . 1 1 2 2 ALA HB2 H 1 1.3 . . 1 . . . . . . . . 4023 1 24 . 1 1 2 2 ALA HB3 H 1 1.3 . . 1 . . . . . . . . 4023 1 25 . 1 1 3 3 ILE N N 15 119.7 . . 1 . . . . . . . . 4023 1 26 . 1 1 3 3 ILE H H 1 8.02 . . 1 . . . . . . . . 4023 1 27 . 1 1 3 3 ILE C C 13 174.4 . . 1 . . . . . . . . 4023 1 28 . 1 1 3 3 ILE CA C 13 60.7 . . 1 . . . . . . . . 4023 1 29 . 1 1 3 3 ILE HA H 1 4.12 . . 1 . . . . . . . . 4023 1 30 . 1 1 3 3 ILE CB C 13 38.6 . . 1 . . . . . . . . 4023 1 31 . 1 1 3 3 ILE HB H 1 1.75 . . 1 . . . . . . . . 4023 1 32 . 1 1 3 3 ILE CG1 C 13 26.8 . . 1 . . . . . . . . 4023 1 33 . 1 1 3 3 ILE CG2 C 13 17.2 . . 1 . . . . . . . . 4023 1 34 . 1 1 3 3 ILE HG12 H 1 1.1 . . 2 . . . . . . . . 4023 1 35 . 1 1 3 3 ILE HG13 H 1 1.36 . . 2 . . . . . . . . 4023 1 36 . 1 1 3 3 ILE HG21 H 1 0.8 . . 1 . . . . . . . . 4023 1 37 . 1 1 3 3 ILE HG22 H 1 0.8 . . 1 . . . . . . . . 4023 1 38 . 1 1 3 3 ILE HG23 H 1 0.8 . . 1 . . . . . . . . 4023 1 39 . 1 1 3 3 ILE CD1 C 13 12.6 . . 1 . . . . . . . . 4023 1 40 . 1 1 3 3 ILE HD11 H 1 0.8 . . 1 . . . . . . . . 4023 1 41 . 1 1 3 3 ILE HD12 H 1 0.8 . . 1 . . . . . . . . 4023 1 42 . 1 1 3 3 ILE HD13 H 1 0.8 . . 1 . . . . . . . . 4023 1 43 . 1 1 4 4 PHE N N 15 124.00 . . 1 . . . . . . . . 4023 1 44 . 1 1 4 4 PHE H H 1 8.22 . . 1 . . . . . . . . 4023 1 45 . 1 1 4 4 PHE C C 13 173.9 . . 1 . . . . . . . . 4023 1 46 . 1 1 4 4 PHE CA C 13 57.1 . . 1 . . . . . . . . 4023 1 47 . 1 1 4 4 PHE HA H 1 4.68 . . 1 . . . . . . . . 4023 1 48 . 1 1 4 4 PHE CB C 13 39.5 . . 1 . . . . . . . . 4023 1 49 . 1 1 4 4 PHE CD1 C 13 130.9 . . 1 . . . . . . . . 4023 1 50 . 1 1 4 4 PHE CD2 C 13 130.9 . . 1 . . . . . . . . 4023 1 51 . 1 1 4 4 PHE HD1 H 1 7.18 . . 1 . . . . . . . . 4023 1 52 . 1 1 4 4 PHE HD2 H 1 7.18 . . 1 . . . . . . . . 4023 1 53 . 1 1 5 5 VAL N N 15 122.8 . . 1 . . . . . . . . 4023 1 54 . 1 1 5 5 VAL H H 1 7.99 . . 1 . . . . . . . . 4023 1 55 . 1 1 5 5 VAL C C 13 174.2 . . 1 . . . . . . . . 4023 1 56 . 1 1 5 5 VAL CA C 13 61.5 . . 1 . . . . . . . . 4023 1 57 . 1 1 5 5 VAL HA H 1 4.04 . . 1 . . . . . . . . 4023 1 58 . 1 1 5 5 VAL CB C 13 32.00 . . 1 . . . . . . . . 4023 1 59 . 1 1 5 5 VAL HB H 1 1.97 . . 1 . . . . . . . . 4023 1 60 . 1 1 5 5 VAL CG1 C 13 20.2 . . 2 . . . . . . . . 4023 1 61 . 1 1 5 5 VAL CG2 C 13 20.7 . . 2 . . . . . . . . 4023 1 62 . 1 1 5 5 VAL HG11 H 1 0.86 . . 1 . . . . . . . . 4023 1 63 . 1 1 5 5 VAL HG12 H 1 0.86 . . 1 . . . . . . . . 4023 1 64 . 1 1 5 5 VAL HG13 H 1 0.86 . . 1 . . . . . . . . 4023 1 65 . 1 1 5 5 VAL HG21 H 1 0.86 . . 1 . . . . . . . . 4023 1 66 . 1 1 5 5 VAL HG22 H 1 0.86 . . 1 . . . . . . . . 4023 1 67 . 1 1 5 5 VAL HG23 H 1 0.86 . . 1 . . . . . . . . 4023 1 68 . 1 1 6 6 LEU N N 15 125.8 . . 1 . . . . . . . . 4023 1 69 . 1 1 6 6 LEU H H 1 8.23 . . 1 . . . . . . . . 4023 1 70 . 1 1 6 6 LEU C C 13 174.5 . . 1 . . . . . . . . 4023 1 71 . 1 1 6 6 LEU CA C 13 55.00 . . 1 . . . . . . . . 4023 1 72 . 1 1 6 6 LEU HA H 1 4.25 . . 1 . . . . . . . . 4023 1 73 . 1 1 6 6 LEU CB C 13 41.9 . . 1 . . . . . . . . 4023 1 74 . 1 1 6 6 LEU HB2 H 1 1.97 . . 1 . . . . . . . . 4023 1 75 . 1 1 6 6 LEU HB3 H 1 1.97 . . 1 . . . . . . . . 4023 1 76 . 1 1 6 6 LEU CG C 13 26.7 . . 1 . . . . . . . . 4023 1 77 . 1 1 6 6 LEU HG H 1 1.57 . . 1 . . . . . . . . 4023 1 78 . 1 1 6 6 LEU CD1 C 13 23.3 . . 2 . . . . . . . . 4023 1 79 . 1 1 6 6 LEU CD2 C 13 24.8 . . 2 . . . . . . . . 4023 1 80 . 1 1 6 6 LEU HD11 H 1 0.86 . . 2 . . . . . . . . 4023 1 81 . 1 1 6 6 LEU HD12 H 1 0.86 . . 2 . . . . . . . . 4023 1 82 . 1 1 6 6 LEU HD13 H 1 0.86 . . 2 . . . . . . . . 4023 1 83 . 1 1 6 6 LEU HD21 H 1 0.91 . . 2 . . . . . . . . 4023 1 84 . 1 1 6 6 LEU HD22 H 1 0.91 . . 2 . . . . . . . . 4023 1 85 . 1 1 6 6 LEU HD23 H 1 0.91 . . 2 . . . . . . . . 4023 1 86 . 1 1 7 7 ASN N N 15 119.1 . . 1 . . . . . . . . 4023 1 87 . 1 1 7 7 ASN H H 1 8.42 . . 1 . . . . . . . . 4023 1 88 . 1 1 7 7 ASN C C 13 173.7 . . 1 . . . . . . . . 4023 1 89 . 1 1 7 7 ASN CA C 13 52.8 . . 1 . . . . . . . . 4023 1 90 . 1 1 7 7 ASN HA H 1 4.66 . . 1 . . . . . . . . 4023 1 91 . 1 1 7 7 ASN CB C 13 38.5 . . 1 . . . . . . . . 4023 1 92 . 1 1 7 7 ASN HB2 H 1 2.76 . . 2 . . . . . . . . 4023 1 93 . 1 1 7 7 ASN HB3 H 1 2.82 . . 2 . . . . . . . . 4023 1 94 . 1 1 7 7 ASN CG C 13 176.00 . . 1 . . . . . . . . 4023 1 95 . 1 1 7 7 ASN ND2 N 15 112.6 . . 1 . . . . . . . . 4023 1 96 . 1 1 7 7 ASN HD21 H 1 6.91 . . 2 . . . . . . . . 4023 1 97 . 1 1 7 7 ASN HD22 H 1 7.61 . . 2 . . . . . . . . 4023 1 98 . 1 1 8 8 ALA N N 15 123.7 . . 1 . . . . . . . . 4023 1 99 . 1 1 8 8 ALA H H 1 8.2 . . 1 . . . . . . . . 4023 1 100 . 1 1 8 8 ALA C C 13 176.9 . . 1 . . . . . . . . 4023 1 101 . 1 1 8 8 ALA CA C 13 52.1 . . 1 . . . . . . . . 4023 1 102 . 1 1 8 8 ALA HA H 1 4.26 . . 1 . . . . . . . . 4023 1 103 . 1 1 8 8 ALA CB C 13 18.6 . . 1 . . . . . . . . 4023 1 104 . 1 1 8 8 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 4023 1 105 . 1 1 8 8 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 4023 1 106 . 1 1 8 8 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 4023 1 107 . 1 1 9 9 GLN N N 15 118.7 . . 1 . . . . . . . . 4023 1 108 . 1 1 9 9 GLN H H 1 8.24 . . 1 . . . . . . . . 4023 1 109 . 1 1 9 9 GLN C C 13 173.2 . . 1 . . . . . . . . 4023 1 110 . 1 1 9 9 GLN CA C 13 55.5 . . 1 . . . . . . . . 4023 1 111 . 1 1 9 9 GLN HA H 1 4.27 . . 1 . . . . . . . . 4023 1 112 . 1 1 9 9 GLN CB C 13 28.7 . . 1 . . . . . . . . 4023 1 113 . 1 1 9 9 GLN HB2 H 1 1.97 . . 2 . . . . . . . . 4023 1 114 . 1 1 9 9 GLN HB3 H 1 2.06 . . 2 . . . . . . . . 4023 1 115 . 1 1 9 9 GLN CG C 13 33.1 . . 1 . . . . . . . . 4023 1 116 . 1 1 9 9 GLN HG2 H 1 2.32 . . 2 . . . . . . . . 4023 1 117 . 1 1 9 9 GLN HG3 H 1 2.49 . . 2 . . . . . . . . 4023 1 118 . 1 1 9 9 GLN CD C 13 179.3 . . 1 . . . . . . . . 4023 1 119 . 1 1 9 9 GLN HE21 H 1 6.82 . . 2 . . . . . . . . 4023 1 120 . 1 1 9 9 GLN HE22 H 1 7.55 . . 2 . . . . . . . . 4023 1 121 . 1 1 10 10 HIS N N 15 119.1 . . 1 . . . . . . . . 4023 1 122 . 1 1 10 10 HIS H H 1 8.37 . . 1 . . . . . . . . 4023 1 123 . 1 1 10 10 HIS C C 13 176.4 . . 1 . . . . . . . . 4023 1 124 . 1 1 10 10 HIS CA C 13 55.2 . . 1 . . . . . . . . 4023 1 125 . 1 1 10 10 HIS HA H 1 4.67 . . 1 . . . . . . . . 4023 1 126 . 1 1 10 10 HIS CB C 13 29.5 . . 1 . . . . . . . . 4023 1 127 . 1 1 10 10 HIS HB2 H 1 3.13 . . 2 . . . . . . . . 4023 1 128 . 1 1 10 10 HIS HB3 H 1 3.21 . . 2 . . . . . . . . 4023 1 129 . 1 1 10 10 HIS HD2 H 1 8.3 . . 1 . . . . . . . . 4023 1 130 . 1 1 10 10 HIS HE1 H 1 7.17 . . 1 . . . . . . . . 4023 1 131 . 1 1 11 11 ASP N N 15 122.00 . . 1 . . . . . . . . 4023 1 132 . 1 1 11 11 ASP H H 1 8.35 . . 1 . . . . . . . . 4023 1 133 . 1 1 11 11 ASP C C 13 174.9 . . 1 . . . . . . . . 4023 1 134 . 1 1 11 11 ASP CA C 13 54.00 . . 1 . . . . . . . . 4023 1 135 . 1 1 11 11 ASP HA H 1 4.61 . . 1 . . . . . . . . 4023 1 136 . 1 1 11 11 ASP CB C 13 41.1 . . 1 . . . . . . . . 4023 1 137 . 1 1 11 11 ASP HB2 H 1 2.59 . . 2 . . . . . . . . 4023 1 138 . 1 1 11 11 ASP HB3 H 1 2.67 . . 2 . . . . . . . . 4023 1 139 . 1 1 12 12 GLU N N 15 122.00 . . 1 . . . . . . . . 4023 1 140 . 1 1 12 12 GLU H H 1 8.52 . . 1 . . . . . . . . 4023 1 141 . 1 1 12 12 GLU C C 13 175.2 . . 1 . . . . . . . . 4023 1 142 . 1 1 12 12 GLU CA C 13 56.7 . . 1 . . . . . . . . 4023 1 143 . 1 1 12 12 GLU HA H 1 4.22 . . 1 . . . . . . . . 4023 1 144 . 1 1 12 12 GLU CB C 13 29.9 . . 1 . . . . . . . . 4023 1 145 . 1 1 12 12 GLU HB2 H 1 1.96 . . 2 . . . . . . . . 4023 1 146 . 1 1 12 12 GLU HB3 H 1 2.05 . . 2 . . . . . . . . 4023 1 147 . 1 1 12 12 GLU CG C 13 36.1 . . 1 . . . . . . . . 4023 1 148 . 1 1 12 12 GLU HG2 H 1 2.27 . . 1 . . . . . . . . 4023 1 149 . 1 1 12 12 GLU HG3 H 1 2.27 . . 1 . . . . . . . . 4023 1 150 . 1 1 13 13 ALA N N 15 123.9 . . 1 . . . . . . . . 4023 1 151 . 1 1 13 13 ALA H H 1 8.28 . . 1 . . . . . . . . 4023 1 152 . 1 1 13 13 ALA C C 13 176.9 . . 1 . . . . . . . . 4023 1 153 . 1 1 13 13 ALA CA C 13 52.2 . . 1 . . . . . . . . 4023 1 154 . 1 1 13 13 ALA HA H 1 4.26 . . 1 . . . . . . . . 4023 1 155 . 1 1 13 13 ALA CB C 13 18.4 . . 1 . . . . . . . . 4023 1 156 . 1 1 13 13 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 4023 1 157 . 1 1 13 13 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 4023 1 158 . 1 1 13 13 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 4023 1 159 . 1 1 14 14 VAL N N 15 118.2 . . 1 . . . . . . . . 4023 1 160 . 1 1 14 14 VAL H H 1 7.84 . . 1 . . . . . . . . 4023 1 161 . 1 1 14 14 VAL C C 13 174.8 . . 1 . . . . . . . . 4023 1 162 . 1 1 14 14 VAL CA C 13 62.2 . . 1 . . . . . . . . 4023 1 163 . 1 1 14 14 VAL HA H 1 3.78 . . 1 . . . . . . . . 4023 1 164 . 1 1 14 14 VAL CB C 13 32.1 . . 1 . . . . . . . . 4023 1 165 . 1 1 14 14 VAL HB H 1 1.95 . . 1 . . . . . . . . 4023 1 166 . 1 1 14 14 VAL CG1 C 13 17.1 . . 2 . . . . . . . . 4023 1 167 . 1 1 14 14 VAL CG2 C 13 20.1 . . 2 . . . . . . . . 4023 1 168 . 1 1 14 14 VAL HG11 H 1 0.74 . . 2 . . . . . . . . 4023 1 169 . 1 1 14 14 VAL HG12 H 1 0.74 . . 2 . . . . . . . . 4023 1 170 . 1 1 14 14 VAL HG13 H 1 0.74 . . 2 . . . . . . . . 4023 1 171 . 1 1 14 14 VAL HG21 H 1 0.76 . . 2 . . . . . . . . 4023 1 172 . 1 1 14 14 VAL HG22 H 1 0.76 . . 2 . . . . . . . . 4023 1 173 . 1 1 14 14 VAL HG23 H 1 0.76 . . 2 . . . . . . . . 4023 1 174 . 1 1 15 15 ASP N N 15 121.9 . . 1 . . . . . . . . 4023 1 175 . 1 1 15 15 ASP H H 1 8.03 . . 1 . . . . . . . . 4023 1 176 . 1 1 15 15 ASP C C 13 175.2 . . 1 . . . . . . . . 4023 1 177 . 1 1 15 15 ASP CA C 13 54.4 . . 1 . . . . . . . . 4023 1 178 . 1 1 15 15 ASP HA H 1 4.42 . . 1 . . . . . . . . 4023 1 179 . 1 1 15 15 ASP CB C 13 39.7 . . 1 . . . . . . . . 4023 1 180 . 1 1 15 15 ASP HB2 H 1 2.46 . . 2 . . . . . . . . 4023 1 181 . 1 1 15 15 ASP HB3 H 1 2.47 . . 2 . . . . . . . . 4023 1 182 . 1 1 16 16 ASN N N 15 118.8 . . 1 . . . . . . . . 4023 1 183 . 1 1 16 16 ASN H H 1 8.13 . . 1 . . . . . . . . 4023 1 184 . 1 1 16 16 ASN C C 13 174.2 . . 1 . . . . . . . . 4023 1 185 . 1 1 16 16 ASN CA C 13 53.2 . . 1 . . . . . . . . 4023 1 186 . 1 1 16 16 ASN HA H 1 4.57 . . 1 . . . . . . . . 4023 1 187 . 1 1 16 16 ASN CB C 13 38.4 . . 1 . . . . . . . . 4023 1 188 . 1 1 16 16 ASN HB2 H 1 2.56 . . 2 . . . . . . . . 4023 1 189 . 1 1 16 16 ASN HB3 H 1 2.59 . . 2 . . . . . . . . 4023 1 190 . 1 1 16 16 ASN CG C 13 175.7 . . 1 . . . . . . . . 4023 1 191 . 1 1 16 16 ASN HD21 H 1 7.46 . . 2 . . . . . . . . 4023 1 192 . 1 1 16 16 ASN HD22 H 1 6.82 . . 2 . . . . . . . . 4023 1 193 . 1 1 16 16 ASN ND2 N 15 112.5 . . 1 . . . . . . . . 4023 1 194 . 1 1 17 17 LYS N N 15 119.5 . . 1 . . . . . . . . 4023 1 195 . 1 1 17 17 LYS H H 1 8.21 . . 1 . . . . . . . . 4023 1 196 . 1 1 17 17 LYS C C 13 175.5 . . 1 . . . . . . . . 4023 1 197 . 1 1 17 17 LYS CA C 13 56.8 . . 1 . . . . . . . . 4023 1 198 . 1 1 17 17 LYS HA H 1 4.21 . . 1 . . . . . . . . 4023 1 199 . 1 1 17 17 LYS CB C 13 32.2 . . 1 . . . . . . . . 4023 1 200 . 1 1 17 17 LYS HB2 H 1 1.61 . . 2 . . . . . . . . 4023 1 201 . 1 1 17 17 LYS HB3 H 1 1.74 . . 2 . . . . . . . . 4023 1 202 . 1 1 17 17 LYS CG C 13 24.00 . . 1 . . . . . . . . 4023 1 203 . 1 1 17 17 LYS HG2 H 1 1.24 . . 1 . . . . . . . . 4023 1 204 . 1 1 17 17 LYS HG3 H 1 1.24 . . 1 . . . . . . . . 4023 1 205 . 1 1 17 17 LYS CD C 13 28.3 . . 1 . . . . . . . . 4023 1 206 . 1 1 17 17 LYS HD2 H 1 1.69 . . 1 . . . . . . . . 4023 1 207 . 1 1 17 17 LYS HD3 H 1 1.69 . . 1 . . . . . . . . 4023 1 208 . 1 1 17 17 LYS CE C 13 41.3 . . 1 . . . . . . . . 4023 1 209 . 1 1 17 17 LYS HE2 H 1 2.9 . . 1 . . . . . . . . 4023 1 210 . 1 1 17 17 LYS HE3 H 1 2.9 . . 1 . . . . . . . . 4023 1 211 . 1 1 18 18 PHE N N 15 118.7 . . 1 . . . . . . . . 4023 1 212 . 1 1 18 18 PHE H H 1 7.89 . . 1 . . . . . . . . 4023 1 213 . 1 1 18 18 PHE C C 13 175.6 . . 1 . . . . . . . . 4023 1 214 . 1 1 18 18 PHE CA C 13 54.8 . . 1 . . . . . . . . 4023 1 215 . 1 1 18 18 PHE HA H 1 5.07 . . 1 . . . . . . . . 4023 1 216 . 1 1 18 18 PHE CB C 13 39.5 . . 1 . . . . . . . . 4023 1 217 . 1 1 18 18 PHE HB2 H 1 3.13 . . 2 . . . . . . . . 4023 1 218 . 1 1 18 18 PHE HB3 H 1 3.41 . . 2 . . . . . . . . 4023 1 219 . 1 1 18 18 PHE CD1 C 13 122.3 . . 1 . . . . . . . . 4023 1 220 . 1 1 18 18 PHE CD2 C 13 122.3 . . 1 . . . . . . . . 4023 1 221 . 1 1 18 18 PHE HD1 H 1 7.07 . . 1 . . . . . . . . 4023 1 222 . 1 1 18 18 PHE HD2 H 1 7.07 . . 1 . . . . . . . . 4023 1 223 . 1 1 18 18 PHE CE1 C 13 127.1 . . 1 . . . . . . . . 4023 1 224 . 1 1 18 18 PHE CE2 C 13 127.1 . . 1 . . . . . . . . 4023 1 225 . 1 1 18 18 PHE HE1 H 1 6.95 . . 1 . . . . . . . . 4023 1 226 . 1 1 18 18 PHE HE2 H 1 6.95 . . 1 . . . . . . . . 4023 1 227 . 1 1 18 18 PHE CZ C 13 128.8 . . 1 . . . . . . . . 4023 1 228 . 1 1 18 18 PHE HZ H 1 7.25 . . 1 . . . . . . . . 4023 1 229 . 1 1 19 19 ASN N N 15 120.6 . . 1 . . . . . . . . 4023 1 230 . 1 1 19 19 ASN H H 1 8.47 . . 1 . . . . . . . . 4023 1 231 . 1 1 19 19 ASN C C 13 174.6 . . 1 . . . . . . . . 4023 1 232 . 1 1 19 19 ASN CA C 13 51.3 . . 1 . . . . . . . . 4023 1 233 . 1 1 19 19 ASN HA H 1 4.78 . . 1 . . . . . . . . 4023 1 234 . 1 1 19 19 ASN CB C 13 37.8 . . 1 . . . . . . . . 4023 1 235 . 1 1 19 19 ASN HB2 H 1 2.95 . . 2 . . . . . . . . 4023 1 236 . 1 1 19 19 ASN HB3 H 1 3.35 . . 2 . . . . . . . . 4023 1 237 . 1 1 19 19 ASN CG C 13 174.3 . . 1 . . . . . . . . 4023 1 238 . 1 1 19 19 ASN HD21 H 1 7.44 . . 2 . . . . . . . . 4023 1 239 . 1 1 19 19 ASN HD22 H 1 6.87 . . 2 . . . . . . . . 4023 1 240 . 1 1 19 19 ASN ND2 N 15 110.2 . . 1 . . . . . . . . 4023 1 241 . 1 1 20 20 LYS N N 15 118.7 . . 1 . . . . . . . . 4023 1 242 . 1 1 20 20 LYS H H 1 8.35 . . 1 . . . . . . . . 4023 1 243 . 1 1 20 20 LYS C C 13 177.2 . . 1 . . . . . . . . 4023 1 244 . 1 1 20 20 LYS CA C 13 59.5 . . 1 . . . . . . . . 4023 1 245 . 1 1 20 20 LYS HA H 1 3.99 . . 1 . . . . . . . . 4023 1 246 . 1 1 20 20 LYS CB C 13 31.6 . . 1 . . . . . . . . 4023 1 247 . 1 1 20 20 LYS HB2 H 1 1.82 . . 2 . . . . . . . . 4023 1 248 . 1 1 20 20 LYS HB3 H 1 1.88 . . 2 . . . . . . . . 4023 1 249 . 1 1 20 20 LYS CG C 13 24.3 . . 1 . . . . . . . . 4023 1 250 . 1 1 20 20 LYS HG2 H 1 1.45 . . 1 . . . . . . . . 4023 1 251 . 1 1 20 20 LYS HG3 H 1 1.45 . . 1 . . . . . . . . 4023 1 252 . 1 1 20 20 LYS CD C 13 28.3 . . 1 . . . . . . . . 4023 1 253 . 1 1 20 20 LYS HD2 H 1 1.72 . . 1 . . . . . . . . 4023 1 254 . 1 1 20 20 LYS HD3 H 1 1.72 . . 1 . . . . . . . . 4023 1 255 . 1 1 20 20 LYS CE C 13 41.5 . . 1 . . . . . . . . 4023 1 256 . 1 1 20 20 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 4023 1 257 . 1 1 20 20 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 4023 1 258 . 1 1 21 21 GLU N N 15 119.6 . . 1 . . . . . . . . 4023 1 259 . 1 1 21 21 GLU H H 1 8.25 . . 1 . . . . . . . . 4023 1 260 . 1 1 21 21 GLU C C 13 178.9 . . 1 . . . . . . . . 4023 1 261 . 1 1 21 21 GLU CA C 13 59.4 . . 1 . . . . . . . . 4023 1 262 . 1 1 21 21 GLU HA H 1 4.11 . . 1 . . . . . . . . 4023 1 263 . 1 1 21 21 GLU CB C 13 28.7 . . 1 . . . . . . . . 4023 1 264 . 1 1 21 21 GLU HB2 H 1 1.79 . . 2 . . . . . . . . 4023 1 265 . 1 1 21 21 GLU HB3 H 1 2.1 . . 2 . . . . . . . . 4023 1 266 . 1 1 21 21 GLU CG C 13 36.3 . . 1 . . . . . . . . 4023 1 267 . 1 1 21 21 GLU HG2 H 1 2.32 . . 1 . . . . . . . . 4023 1 268 . 1 1 21 21 GLU HG3 H 1 2.32 . . 1 . . . . . . . . 4023 1 269 . 1 1 22 22 GLN N N 15 121.6 . . 1 . . . . . . . . 4023 1 270 . 1 1 22 22 GLN H H 1 8.54 . . 1 . . . . . . . . 4023 1 271 . 1 1 22 22 GLN C C 13 176.5 . . 1 . . . . . . . . 4023 1 272 . 1 1 22 22 GLN CA C 13 57.3 . . 1 . . . . . . . . 4023 1 273 . 1 1 22 22 GLN HA H 1 3.88 . . 1 . . . . . . . . 4023 1 274 . 1 1 22 22 GLN CB C 13 28.6 . . 1 . . . . . . . . 4023 1 275 . 1 1 22 22 GLN HB2 H 1 1.54 . . 2 . . . . . . . . 4023 1 276 . 1 1 22 22 GLN HB3 H 1 2.25 . . 2 . . . . . . . . 4023 1 277 . 1 1 22 22 GLN CG C 13 33.2 . . 1 . . . . . . . . 4023 1 278 . 1 1 22 22 GLN HG2 H 1 2.49 . . 1 . . . . . . . . 4023 1 279 . 1 1 22 22 GLN HG3 H 1 2.49 . . 1 . . . . . . . . 4023 1 280 . 1 1 22 22 GLN CD C 13 178.6 . . 1 . . . . . . . . 4023 1 281 . 1 1 22 22 GLN HE21 H 1 6.96 . . 2 . . . . . . . . 4023 1 282 . 1 1 22 22 GLN HE22 H 1 7.26 . . 2 . . . . . . . . 4023 1 283 . 1 1 22 22 GLN NE2 N 15 110.7 . . 1 . . . . . . . . 4023 1 284 . 1 1 23 23 GLN N N 15 119.00 . . 1 . . . . . . . . 4023 1 285 . 1 1 23 23 GLN H H 1 8.77 . . 1 . . . . . . . . 4023 1 286 . 1 1 23 23 GLN C C 13 177.00 . . 1 . . . . . . . . 4023 1 287 . 1 1 23 23 GLN CA C 13 58.3 . . 1 . . . . . . . . 4023 1 288 . 1 1 23 23 GLN HA H 1 3.93 . . 1 . . . . . . . . 4023 1 289 . 1 1 23 23 GLN CB C 13 28.00 . . 1 . . . . . . . . 4023 1 290 . 1 1 23 23 GLN HB2 H 1 2.18 . . 2 . . . . . . . . 4023 1 291 . 1 1 23 23 GLN HB3 H 1 2.57 . . 2 . . . . . . . . 4023 1 292 . 1 1 23 23 GLN CG C 13 33.8 . . 1 . . . . . . . . 4023 1 293 . 1 1 23 23 GLN HG2 H 1 2.42 . . 1 . . . . . . . . 4023 1 294 . 1 1 23 23 GLN HG3 H 1 2.42 . . 1 . . . . . . . . 4023 1 295 . 1 1 23 23 GLN CD C 13 178.5 . . 1 . . . . . . . . 4023 1 296 . 1 1 23 23 GLN HE21 H 1 6.89 . . 2 . . . . . . . . 4023 1 297 . 1 1 23 23 GLN HE22 H 1 7.27 . . 2 . . . . . . . . 4023 1 298 . 1 1 23 23 GLN NE2 N 15 111.5 . . 1 . . . . . . . . 4023 1 299 . 1 1 24 24 ASN N N 15 117.6 . . 1 . . . . . . . . 4023 1 300 . 1 1 24 24 ASN H H 1 8.34 . . 1 . . . . . . . . 4023 1 301 . 1 1 24 24 ASN C C 13 176.2 . . 1 . . . . . . . . 4023 1 302 . 1 1 24 24 ASN CA C 13 56.00 . . 1 . . . . . . . . 4023 1 303 . 1 1 24 24 ASN HA H 1 4.62 . . 1 . . . . . . . . 4023 1 304 . 1 1 24 24 ASN CB C 13 37.7 . . 1 . . . . . . . . 4023 1 305 . 1 1 24 24 ASN HB2 H 1 2.92 . . 1 . . . . . . . . 4023 1 306 . 1 1 24 24 ASN HB3 H 1 2.92 . . 1 . . . . . . . . 4023 1 307 . 1 1 24 24 ASN CG C 13 175.00 . . 1 . . . . . . . . 4023 1 308 . 1 1 24 24 ASN HD21 H 1 7.73 . . 2 . . . . . . . . 4023 1 309 . 1 1 24 24 ASN HD22 H 1 7.05 . . 2 . . . . . . . . 4023 1 310 . 1 1 24 24 ASN ND2 N 15 112.3 . . 1 . . . . . . . . 4023 1 311 . 1 1 25 25 ALA N N 15 122.3 . . 1 . . . . . . . . 4023 1 312 . 1 1 25 25 ALA H H 1 7.91 . . 1 . . . . . . . . 4023 1 313 . 1 1 25 25 ALA C C 13 176.9 . . 1 . . . . . . . . 4023 1 314 . 1 1 25 25 ALA CA C 13 55.1 . . 1 . . . . . . . . 4023 1 315 . 1 1 25 25 ALA HA H 1 4.1 . . 1 . . . . . . . . 4023 1 316 . 1 1 25 25 ALA CB C 13 17.8 . . 1 . . . . . . . . 4023 1 317 . 1 1 25 25 ALA HB1 H 1 1.47 . . 1 . . . . . . . . 4023 1 318 . 1 1 25 25 ALA HB2 H 1 1.47 . . 1 . . . . . . . . 4023 1 319 . 1 1 25 25 ALA HB3 H 1 1.47 . . 1 . . . . . . . . 4023 1 320 . 1 1 26 26 PHE N N 15 118.1 . . 1 . . . . . . . . 4023 1 321 . 1 1 26 26 PHE H H 1 8.15 . . 1 . . . . . . . . 4023 1 322 . 1 1 26 26 PHE C C 13 174.9 . . 1 . . . . . . . . 4023 1 323 . 1 1 26 26 PHE CA C 13 60.8 . . 1 . . . . . . . . 4023 1 324 . 1 1 26 26 PHE HA H 1 3.81 . . 1 . . . . . . . . 4023 1 325 . 1 1 26 26 PHE CB C 13 38.7 . . 1 . . . . . . . . 4023 1 326 . 1 1 26 26 PHE HB2 H 1 2.95 . . 2 . . . . . . . . 4023 1 327 . 1 1 26 26 PHE HB3 H 1 3.32 . . 2 . . . . . . . . 4023 1 328 . 1 1 26 26 PHE CD1 C 13 129.6 . . 1 . . . . . . . . 4023 1 329 . 1 1 26 26 PHE CD2 C 13 129.6 . . 1 . . . . . . . . 4023 1 330 . 1 1 26 26 PHE HD1 H 1 6.92 . . 1 . . . . . . . . 4023 1 331 . 1 1 26 26 PHE HD2 H 1 6.92 . . 1 . . . . . . . . 4023 1 332 . 1 1 26 26 PHE CE1 C 13 129.00 . . 1 . . . . . . . . 4023 1 333 . 1 1 26 26 PHE CE2 C 13 129.00 . . 1 . . . . . . . . 4023 1 334 . 1 1 26 26 PHE HE1 H 1 7.06 . . 1 . . . . . . . . 4023 1 335 . 1 1 26 26 PHE HE2 H 1 7.06 . . 1 . . . . . . . . 4023 1 336 . 1 1 26 26 PHE CZ C 13 128.8 . . 1 . . . . . . . . 4023 1 337 . 1 1 26 26 PHE HZ H 1 7.25 . . 1 . . . . . . . . 4023 1 338 . 1 1 27 27 TYR N N 15 116.7 . . 1 . . . . . . . . 4023 1 339 . 1 1 27 27 TYR H H 1 8.19 . . 1 . . . . . . . . 4023 1 340 . 1 1 27 27 TYR C C 13 177.5 . . 1 . . . . . . . . 4023 1 341 . 1 1 27 27 TYR CA C 13 61.9 . . 1 . . . . . . . . 4023 1 342 . 1 1 27 27 TYR HA H 1 3.95 . . 1 . . . . . . . . 4023 1 343 . 1 1 27 27 TYR CB C 13 37.8 . . 1 . . . . . . . . 4023 1 344 . 1 1 27 27 TYR HB2 H 1 3.16 . . 1 . . . . . . . . 4023 1 345 . 1 1 27 27 TYR HB3 H 1 3.16 . . 1 . . . . . . . . 4023 1 346 . 1 1 27 27 TYR CD1 C 13 130.5 . . 1 . . . . . . . . 4023 1 347 . 1 1 27 27 TYR CD2 C 13 130.5 . . 1 . . . . . . . . 4023 1 348 . 1 1 27 27 TYR HD1 H 1 7.17 . . 1 . . . . . . . . 4023 1 349 . 1 1 27 27 TYR HD2 H 1 7.17 . . 1 . . . . . . . . 4023 1 350 . 1 1 27 27 TYR CE1 C 13 116.5 . . 1 . . . . . . . . 4023 1 351 . 1 1 27 27 TYR CE2 C 13 116.5 . . 1 . . . . . . . . 4023 1 352 . 1 1 27 27 TYR HE1 H 1 6.78 . . 1 . . . . . . . . 4023 1 353 . 1 1 27 27 TYR HE2 H 1 6.78 . . 1 . . . . . . . . 4023 1 354 . 1 1 28 28 GLU N N 15 119.1 . . 1 . . . . . . . . 4023 1 355 . 1 1 28 28 GLU H H 1 8.53 . . 1 . . . . . . . . 4023 1 356 . 1 1 28 28 GLU C C 13 179.2 . . 1 . . . . . . . . 4023 1 357 . 1 1 28 28 GLU CA C 13 59.6 . . 1 . . . . . . . . 4023 1 358 . 1 1 28 28 GLU HA H 1 4.03 . . 1 . . . . . . . . 4023 1 359 . 1 1 28 28 GLU CB C 13 29.2 . . 1 . . . . . . . . 4023 1 360 . 1 1 28 28 GLU HB2 H 1 1.96 . . 2 . . . . . . . . 4023 1 361 . 1 1 28 28 GLU HB3 H 1 2.15 . . 2 . . . . . . . . 4023 1 362 . 1 1 28 28 GLU CG C 13 36.5 . . 1 . . . . . . . . 4023 1 363 . 1 1 28 28 GLU HG2 H 1 2.42 . . 1 . . . . . . . . 4023 1 364 . 1 1 28 28 GLU HG3 H 1 2.42 . . 1 . . . . . . . . 4023 1 365 . 1 1 29 29 ILE N N 15 119.5 . . 1 . . . . . . . . 4023 1 366 . 1 1 29 29 ILE H H 1 8.42 . . 1 . . . . . . . . 4023 1 367 . 1 1 29 29 ILE C C 13 176.7 . . 1 . . . . . . . . 4023 1 368 . 1 1 29 29 ILE CA C 13 65.4 . . 1 . . . . . . . . 4023 1 369 . 1 1 29 29 ILE HA H 1 3.39 . . 1 . . . . . . . . 4023 1 370 . 1 1 29 29 ILE CB C 13 37.1 . . 1 . . . . . . . . 4023 1 371 . 1 1 29 29 ILE HB H 1 1.78 . . 1 . . . . . . . . 4023 1 372 . 1 1 29 29 ILE CG1 C 13 29.9 . . 1 . . . . . . . . 4023 1 373 . 1 1 29 29 ILE CG2 C 13 17.6 . . 1 . . . . . . . . 4023 1 374 . 1 1 29 29 ILE HG12 H 1 1.78 . . 2 . . . . . . . . 4023 1 375 . 1 1 29 29 ILE HG13 H 1 1.88 . . 2 . . . . . . . . 4023 1 376 . 1 1 29 29 ILE HG21 H 1 0.75 . . 1 . . . . . . . . 4023 1 377 . 1 1 29 29 ILE HG22 H 1 0.75 . . 1 . . . . . . . . 4023 1 378 . 1 1 29 29 ILE HG23 H 1 0.75 . . 1 . . . . . . . . 4023 1 379 . 1 1 29 29 ILE CD1 C 13 12.5 . . 1 . . . . . . . . 4023 1 380 . 1 1 29 29 ILE HD11 H 1 0.53 . . 1 . . . . . . . . 4023 1 381 . 1 1 29 29 ILE HD12 H 1 0.53 . . 1 . . . . . . . . 4023 1 382 . 1 1 29 29 ILE HD13 H 1 0.53 . . 1 . . . . . . . . 4023 1 383 . 1 1 30 30 LEU N N 15 117.7 . . 1 . . . . . . . . 4023 1 384 . 1 1 30 30 LEU H H 1 7.9 . . 1 . . . . . . . . 4023 1 385 . 1 1 30 30 LEU C C 13 175.8 . . 1 . . . . . . . . 4023 1 386 . 1 1 30 30 LEU CA C 13 56.8 . . 1 . . . . . . . . 4023 1 387 . 1 1 30 30 LEU HA H 1 3.68 . . 1 . . . . . . . . 4023 1 388 . 1 1 30 30 LEU CB C 13 41.5 . . 1 . . . . . . . . 4023 1 389 . 1 1 30 30 LEU HB2 H 1 1.13 . . 2 . . . . . . . . 4023 1 390 . 1 1 30 30 LEU HB3 H 1 1.45 . . 2 . . . . . . . . 4023 1 391 . 1 1 30 30 LEU CG C 13 26.2 . . 1 . . . . . . . . 4023 1 392 . 1 1 30 30 LEU HG H 1 1.32 . . 1 . . . . . . . . 4023 1 393 . 1 1 30 30 LEU CD1 C 13 23.2 . . 2 . . . . . . . . 4023 1 394 . 1 1 30 30 LEU CD2 C 13 24.5 . . 2 . . . . . . . . 4023 1 395 . 1 1 30 30 LEU HD11 H 1 0.53 . . 2 . . . . . . . . 4023 1 396 . 1 1 30 30 LEU HD12 H 1 0.53 . . 2 . . . . . . . . 4023 1 397 . 1 1 30 30 LEU HD13 H 1 0.53 . . 2 . . . . . . . . 4023 1 398 . 1 1 30 30 LEU HD21 H 1 0.63 . . 2 . . . . . . . . 4023 1 399 . 1 1 30 30 LEU HD22 H 1 0.63 . . 2 . . . . . . . . 4023 1 400 . 1 1 30 30 LEU HD23 H 1 0.63 . . 2 . . . . . . . . 4023 1 401 . 1 1 31 31 HIS N N 15 111.8 . . 1 . . . . . . . . 4023 1 402 . 1 1 31 31 HIS H H 1 7.23 . . 1 . . . . . . . . 4023 1 403 . 1 1 31 31 HIS C C 13 173.6 . . 1 . . . . . . . . 4023 1 404 . 1 1 31 31 HIS CA C 13 55.3 . . 1 . . . . . . . . 4023 1 405 . 1 1 31 31 HIS HA H 1 4.52 . . 1 . . . . . . . . 4023 1 406 . 1 1 31 31 HIS CB C 13 29.1 . . 1 . . . . . . . . 4023 1 407 . 1 1 31 31 HIS HB2 H 1 2.84 . . 2 . . . . . . . . 4023 1 408 . 1 1 31 31 HIS HB3 H 1 3.45 . . 2 . . . . . . . . 4023 1 409 . 1 1 31 31 HIS HD2 H 1 7.09 . . 1 . . . . . . . . 4023 1 410 . 1 1 31 31 HIS HE1 H 1 8.21 . . 1 . . . . . . . . 4023 1 411 . 1 1 32 32 LEU N N 15 124.5 . . 1 . . . . . . . . 4023 1 412 . 1 1 32 32 LEU H H 1 7.26 . . 1 . . . . . . . . 4023 1 413 . 1 1 32 32 LEU C C 13 176.5 . . 1 . . . . . . . . 4023 1 414 . 1 1 32 32 LEU CA C 13 52.9 . . 1 . . . . . . . . 4023 1 415 . 1 1 32 32 LEU HA H 1 4.49 . . 1 . . . . . . . . 4023 1 416 . 1 1 32 32 LEU CB C 13 40.2 . . 1 . . . . . . . . 4023 1 417 . 1 1 32 32 LEU HB2 H 1 1.38 . . 2 . . . . . . . . 4023 1 418 . 1 1 32 32 LEU HB3 H 1 1.75 . . 2 . . . . . . . . 4023 1 419 . 1 1 32 32 LEU CG C 13 24.9 . . 1 . . . . . . . . 4023 1 420 . 1 1 32 32 LEU HG H 1 2.23 . . 1 . . . . . . . . 4023 1 421 . 1 1 32 32 LEU CD1 C 13 23.1 . . 2 . . . . . . . . 4023 1 422 . 1 1 32 32 LEU CD2 C 13 27.00 . . 2 . . . . . . . . 4023 1 423 . 1 1 32 32 LEU HD11 H 1 0.86 . . 2 . . . . . . . . 4023 1 424 . 1 1 32 32 LEU HD12 H 1 0.86 . . 2 . . . . . . . . 4023 1 425 . 1 1 32 32 LEU HD13 H 1 0.86 . . 2 . . . . . . . . 4023 1 426 . 1 1 32 32 LEU HD21 H 1 0.68 . . 2 . . . . . . . . 4023 1 427 . 1 1 32 32 LEU HD22 H 1 0.68 . . 2 . . . . . . . . 4023 1 428 . 1 1 32 32 LEU HD23 H 1 0.68 . . 2 . . . . . . . . 4023 1 429 . 1 1 33 33 PRO C C 13 176.9 . . 1 . . . . . . . . 4023 1 430 . 1 1 33 33 PRO CA C 13 64.8 . . 1 . . . . . . . . 4023 1 431 . 1 1 33 33 PRO HA H 1 4.42 . . 1 . . . . . . . . 4023 1 432 . 1 1 33 33 PRO CB C 13 32.5 . . 1 . . . . . . . . 4023 1 433 . 1 1 33 33 PRO HB2 H 1 2.33 . . 1 . . . . . . . . 4023 1 434 . 1 1 33 33 PRO HB3 H 1 2.33 . . 1 . . . . . . . . 4023 1 435 . 1 1 33 33 PRO CG C 13 26.8 . . 1 . . . . . . . . 4023 1 436 . 1 1 33 33 PRO HG2 H 1 2.17 . . 1 . . . . . . . . 4023 1 437 . 1 1 33 33 PRO HG3 H 1 2.17 . . 1 . . . . . . . . 4023 1 438 . 1 1 33 33 PRO CD C 13 51.00 . . 1 . . . . . . . . 4023 1 439 . 1 1 33 33 PRO HD2 H 1 3.82 . . 2 . . . . . . . . 4023 1 440 . 1 1 33 33 PRO HD3 H 1 4.08 . . 2 . . . . . . . . 4023 1 441 . 1 1 34 34 ASN N N 15 113.8 . . 1 . . . . . . . . 4023 1 442 . 1 1 34 34 ASN H H 1 8.91 . . 1 . . . . . . . . 4023 1 443 . 1 1 34 34 ASN C C 13 175.1 . . 1 . . . . . . . . 4023 1 444 . 1 1 34 34 ASN CA C 13 52.1 . . 1 . . . . . . . . 4023 1 445 . 1 1 34 34 ASN HA H 1 5.03 . . 1 . . . . . . . . 4023 1 446 . 1 1 34 34 ASN CB C 13 38.3 . . 1 . . . . . . . . 4023 1 447 . 1 1 34 34 ASN HB2 H 1 2.9 . . 1 . . . . . . . . 4023 1 448 . 1 1 34 34 ASN HB3 H 1 2.9 . . 1 . . . . . . . . 4023 1 449 . 1 1 34 34 ASN CG C 13 176.1 . . 1 . . . . . . . . 4023 1 450 . 1 1 34 34 ASN HD21 H 1 6.99 . . 2 . . . . . . . . 4023 1 451 . 1 1 34 34 ASN HD22 H 1 7.42 . . 2 . . . . . . . . 4023 1 452 . 1 1 34 34 ASN ND2 N 15 114.5 . . 1 . . . . . . . . 4023 1 453 . 1 1 35 35 LEU N N 15 117.4 . . 1 . . . . . . . . 4023 1 454 . 1 1 35 35 LEU H H 1 6.53 . . 1 . . . . . . . . 4023 1 455 . 1 1 35 35 LEU C C 13 175.3 . . 1 . . . . . . . . 4023 1 456 . 1 1 35 35 LEU CA C 13 54.2 . . 1 . . . . . . . . 4023 1 457 . 1 1 35 35 LEU HA H 1 4.43 . . 1 . . . . . . . . 4023 1 458 . 1 1 35 35 LEU CB C 13 42.8 . . 1 . . . . . . . . 4023 1 459 . 1 1 35 35 LEU HB2 H 1 1.62 . . 2 . . . . . . . . 4023 1 460 . 1 1 35 35 LEU HB3 H 1 1.69 . . 2 . . . . . . . . 4023 1 461 . 1 1 35 35 LEU CG C 13 24.4 . . 1 . . . . . . . . 4023 1 462 . 1 1 35 35 LEU HG H 1 1.69 . . 1 . . . . . . . . 4023 1 463 . 1 1 35 35 LEU CD1 C 13 22.1 . . 2 . . . . . . . . 4023 1 464 . 1 1 35 35 LEU CD2 C 13 26.3 . . 2 . . . . . . . . 4023 1 465 . 1 1 35 35 LEU HD11 H 1 0.88 . . 2 . . . . . . . . 4023 1 466 . 1 1 35 35 LEU HD12 H 1 0.88 . . 2 . . . . . . . . 4023 1 467 . 1 1 35 35 LEU HD13 H 1 0.88 . . 2 . . . . . . . . 4023 1 468 . 1 1 35 35 LEU HD21 H 1 0.96 . . 2 . . . . . . . . 4023 1 469 . 1 1 35 35 LEU HD22 H 1 0.96 . . 2 . . . . . . . . 4023 1 470 . 1 1 35 35 LEU HD23 H 1 0.96 . . 2 . . . . . . . . 4023 1 471 . 1 1 36 36 ASN N N 15 119.1 . . 1 . . . . . . . . 4023 1 472 . 1 1 36 36 ASN H H 1 8.56 . . 1 . . . . . . . . 4023 1 473 . 1 1 36 36 ASN C C 13 174.6 . . 1 . . . . . . . . 4023 1 474 . 1 1 36 36 ASN CA C 13 51.00 . . 1 . . . . . . . . 4023 1 475 . 1 1 36 36 ASN HA H 1 4.94 . . 1 . . . . . . . . 4023 1 476 . 1 1 36 36 ASN CB C 13 38.4 . . 1 . . . . . . . . 4023 1 477 . 1 1 36 36 ASN HB2 H 1 2.83 . . 2 . . . . . . . . 4023 1 478 . 1 1 36 36 ASN HB3 H 1 3.28 . . 2 . . . . . . . . 4023 1 479 . 1 1 36 36 ASN CG C 13 174.4 . . 1 . . . . . . . . 4023 1 480 . 1 1 36 36 ASN HD21 H 1 7.05 . . 2 . . . . . . . . 4023 1 481 . 1 1 36 36 ASN HD22 H 1 7.51 . . 2 . . . . . . . . 4023 1 482 . 1 1 36 36 ASN ND2 N 15 111.9 . . 1 . . . . . . . . 4023 1 483 . 1 1 37 37 GLU N N 15 118.4 . . 1 . . . . . . . . 4023 1 484 . 1 1 37 37 GLU H H 1 8.65 . . 1 . . . . . . . . 4023 1 485 . 1 1 37 37 GLU C C 13 177.1 . . 1 . . . . . . . . 4023 1 486 . 1 1 37 37 GLU CA C 13 59.5 . . 1 . . . . . . . . 4023 1 487 . 1 1 37 37 GLU HA H 1 3.98 . . 1 . . . . . . . . 4023 1 488 . 1 1 37 37 GLU CB C 13 29.1 . . 1 . . . . . . . . 4023 1 489 . 1 1 37 37 GLU HB2 H 1 2.00 . . 2 . . . . . . . . 4023 1 490 . 1 1 37 37 GLU HB3 H 1 2.05 . . 2 . . . . . . . . 4023 1 491 . 1 1 37 37 GLU CG C 13 35.7 . . 1 . . . . . . . . 4023 1 492 . 1 1 37 37 GLU HG2 H 1 2.37 . . 1 . . . . . . . . 4023 1 493 . 1 1 37 37 GLU HG3 H 1 2.37 . . 1 . . . . . . . . 4023 1 494 . 1 1 38 38 GLU N N 15 119.8 . . 1 . . . . . . . . 4023 1 495 . 1 1 38 38 GLU H H 1 8.28 . . 1 . . . . . . . . 4023 1 496 . 1 1 38 38 GLU C C 13 179.00 . . 1 . . . . . . . . 4023 1 497 . 1 1 38 38 GLU CA C 13 59.5 . . 1 . . . . . . . . 4023 1 498 . 1 1 38 38 GLU HA H 1 4.03 . . 1 . . . . . . . . 4023 1 499 . 1 1 38 38 GLU CB C 13 28.6 . . 1 . . . . . . . . 4023 1 500 . 1 1 38 38 GLU HB2 H 1 2.04 . . 2 . . . . . . . . 4023 1 501 . 1 1 38 38 GLU HB3 H 1 2.26 . . 2 . . . . . . . . 4023 1 502 . 1 1 38 38 GLU CG C 13 36.1 . . 1 . . . . . . . . 4023 1 503 . 1 1 38 38 GLU HG2 H 1 1.94 . . 1 . . . . . . . . 4023 1 504 . 1 1 38 38 GLU HG3 H 1 1.94 . . 1 . . . . . . . . 4023 1 505 . 1 1 39 39 GLN N N 15 119.7 . . 1 . . . . . . . . 4023 1 506 . 1 1 39 39 GLN H H 1 8.46 . . 1 . . . . . . . . 4023 1 507 . 1 1 39 39 GLN C C 13 177.3 . . 1 . . . . . . . . 4023 1 508 . 1 1 39 39 GLN CA C 13 57.5 . . 1 . . . . . . . . 4023 1 509 . 1 1 39 39 GLN HA H 1 3.97 . . 1 . . . . . . . . 4023 1 510 . 1 1 39 39 GLN CB C 13 28.7 . . 1 . . . . . . . . 4023 1 511 . 1 1 39 39 GLN HB2 H 1 2.06 . . 2 . . . . . . . . 4023 1 512 . 1 1 39 39 GLN HB3 H 1 2.48 . . 2 . . . . . . . . 4023 1 513 . 1 1 39 39 GLN CG C 13 33.3 . . 1 . . . . . . . . 4023 1 514 . 1 1 39 39 GLN HG2 H 1 2.35 . . 1 . . . . . . . . 4023 1 515 . 1 1 39 39 GLN HG3 H 1 2.35 . . 1 . . . . . . . . 4023 1 516 . 1 1 39 39 GLN CD C 13 179.2 . . 1 . . . . . . . . 4023 1 517 . 1 1 39 39 GLN HE21 H 1 7.65 . . 2 . . . . . . . . 4023 1 518 . 1 1 39 39 GLN HE22 H 1 8.26 . . 2 . . . . . . . . 4023 1 519 . 1 1 39 39 GLN NE2 N 15 112.8 . . 1 . . . . . . . . 4023 1 520 . 1 1 40 40 ARG N N 15 118.9 . . 1 . . . . . . . . 4023 1 521 . 1 1 40 40 ARG H H 1 8.58 . . 1 . . . . . . . . 4023 1 522 . 1 1 40 40 ARG C C 13 176.7 . . 1 . . . . . . . . 4023 1 523 . 1 1 40 40 ARG CA C 13 60.3 . . 1 . . . . . . . . 4023 1 524 . 1 1 40 40 ARG HA H 1 3.78 . . 1 . . . . . . . . 4023 1 525 . 1 1 40 40 ARG CB C 13 30.1 . . 1 . . . . . . . . 4023 1 526 . 1 1 40 40 ARG HB2 H 1 1.75 . . 2 . . . . . . . . 4023 1 527 . 1 1 40 40 ARG HB3 H 1 1.85 . . 2 . . . . . . . . 4023 1 528 . 1 1 40 40 ARG CG C 13 26.4 . . 1 . . . . . . . . 4023 1 529 . 1 1 40 40 ARG HG2 H 1 1.46 . . 2 . . . . . . . . 4023 1 530 . 1 1 40 40 ARG HG3 H 1 1.73 . . 2 . . . . . . . . 4023 1 531 . 1 1 40 40 ARG CD C 13 42.4 . . 1 . . . . . . . . 4023 1 532 . 1 1 40 40 ARG HD2 H 1 3.23 . . 2 . . . . . . . . 4023 1 533 . 1 1 40 40 ARG HD3 H 1 3.43 . . 2 . . . . . . . . 4023 1 534 . 1 1 40 40 ARG HE H 1 7.68 . . 1 . . . . . . . . 4023 1 535 . 1 1 41 41 ASN N N 15 115.1 . . 1 . . . . . . . . 4023 1 536 . 1 1 41 41 ASN H H 1 8.48 . . 1 . . . . . . . . 4023 1 537 . 1 1 41 41 ASN C C 13 176.4 . . 1 . . . . . . . . 4023 1 538 . 1 1 41 41 ASN CA C 13 55.5 . . 1 . . . . . . . . 4023 1 539 . 1 1 41 41 ASN HA H 1 4.4 . . 1 . . . . . . . . 4023 1 540 . 1 1 41 41 ASN CB C 13 37.6 . . 1 . . . . . . . . 4023 1 541 . 1 1 41 41 ASN HB2 H 1 2.79 . . 2 . . . . . . . . 4023 1 542 . 1 1 41 41 ASN HB3 H 1 2.9 . . 2 . . . . . . . . 4023 1 543 . 1 1 41 41 ASN CG C 13 175.00 . . 1 . . . . . . . . 4023 1 544 . 1 1 41 41 ASN HD21 H 1 7.63 . . 2 . . . . . . . . 4023 1 545 . 1 1 41 41 ASN HD22 H 1 7.02 . . 2 . . . . . . . . 4023 1 546 . 1 1 41 41 ASN ND2 N 15 112.2 . . 1 . . . . . . . . 4023 1 547 . 1 1 42 42 ALA N N 15 122.8 . . 1 . . . . . . . . 4023 1 548 . 1 1 42 42 ALA H H 1 7.88 . . 1 . . . . . . . . 4023 1 549 . 1 1 42 42 ALA C C 13 179.8 . . 1 . . . . . . . . 4023 1 550 . 1 1 42 42 ALA CA C 13 54.9 . . 1 . . . . . . . . 4023 1 551 . 1 1 42 42 ALA HA H 1 4.17 . . 1 . . . . . . . . 4023 1 552 . 1 1 42 42 ALA CB C 13 17.5 . . 1 . . . . . . . . 4023 1 553 . 1 1 42 42 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 4023 1 554 . 1 1 42 42 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 4023 1 555 . 1 1 42 42 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 4023 1 556 . 1 1 43 43 PHE N N 15 117.00 . . 1 . . . . . . . . 4023 1 557 . 1 1 43 43 PHE H H 1 7.96 . . 1 . . . . . . . . 4023 1 558 . 1 1 43 43 PHE C C 13 176.9 . . 1 . . . . . . . . 4023 1 559 . 1 1 43 43 PHE CA C 13 61.9 . . 1 . . . . . . . . 4023 1 560 . 1 1 43 43 PHE HA H 1 4.37 . . 1 . . . . . . . . 4023 1 561 . 1 1 43 43 PHE CB C 13 39.5 . . 1 . . . . . . . . 4023 1 562 . 1 1 43 43 PHE HB2 H 1 2.99 . . 2 . . . . . . . . 4023 1 563 . 1 1 43 43 PHE HB3 H 1 3.1 . . 2 . . . . . . . . 4023 1 564 . 1 1 43 43 PHE CD1 C 13 130.2 . . 1 . . . . . . . . 4023 1 565 . 1 1 43 43 PHE CD2 C 13 130.2 . . 1 . . . . . . . . 4023 1 566 . 1 1 43 43 PHE HD1 H 1 7.31 . . 1 . . . . . . . . 4023 1 567 . 1 1 43 43 PHE HD2 H 1 7.31 . . 1 . . . . . . . . 4023 1 568 . 1 1 43 43 PHE CE1 C 13 129.9 . . 1 . . . . . . . . 4023 1 569 . 1 1 43 43 PHE CE2 C 13 129.9 . . 1 . . . . . . . . 4023 1 570 . 1 1 43 43 PHE HE1 H 1 7.2 . . 1 . . . . . . . . 4023 1 571 . 1 1 43 43 PHE HE2 H 1 7.2 . . 1 . . . . . . . . 4023 1 572 . 1 1 43 43 PHE CZ C 13 130.3 . . 1 . . . . . . . . 4023 1 573 . 1 1 43 43 PHE HZ H 1 7.14 . . 1 . . . . . . . . 4023 1 574 . 1 1 44 44 ILE N N 15 118.4 . . 1 . . . . . . . . 4023 1 575 . 1 1 44 44 ILE H H 1 8.3 . . 1 . . . . . . . . 4023 1 576 . 1 1 44 44 ILE C C 13 176.5 . . 1 . . . . . . . . 4023 1 577 . 1 1 44 44 ILE CA C 13 64.1 . . 1 . . . . . . . . 4023 1 578 . 1 1 44 44 ILE HA H 1 3.75 . . 1 . . . . . . . . 4023 1 579 . 1 1 44 44 ILE CB C 13 36.4 . . 1 . . . . . . . . 4023 1 580 . 1 1 44 44 ILE HB H 1 2.11 . . 1 . . . . . . . . 4023 1 581 . 1 1 44 44 ILE CG1 C 13 28.2 . . 1 . . . . . . . . 4023 1 582 . 1 1 44 44 ILE CG2 C 13 17.5 . . 1 . . . . . . . . 4023 1 583 . 1 1 44 44 ILE HG12 H 1 1.35 . . 2 . . . . . . . . 4023 1 584 . 1 1 44 44 ILE HG13 H 1 1.59 . . 2 . . . . . . . . 4023 1 585 . 1 1 44 44 ILE HG21 H 1 0.97 . . 1 . . . . . . . . 4023 1 586 . 1 1 44 44 ILE HG22 H 1 0.97 . . 1 . . . . . . . . 4023 1 587 . 1 1 44 44 ILE HG23 H 1 0.97 . . 1 . . . . . . . . 4023 1 588 . 1 1 44 44 ILE CD1 C 13 11.7 . . 1 . . . . . . . . 4023 1 589 . 1 1 44 44 ILE HD11 H 1 0.62 . . 1 . . . . . . . . 4023 1 590 . 1 1 44 44 ILE HD12 H 1 0.62 . . 1 . . . . . . . . 4023 1 591 . 1 1 44 44 ILE HD13 H 1 0.62 . . 1 . . . . . . . . 4023 1 592 . 1 1 45 45 GLN N N 15 119.5 . . 1 . . . . . . . . 4023 1 593 . 1 1 45 45 GLN H H 1 8.46 . . 1 . . . . . . . . 4023 1 594 . 1 1 45 45 GLN C C 13 177.1 . . 1 . . . . . . . . 4023 1 595 . 1 1 45 45 GLN CA C 13 58.5 . . 1 . . . . . . . . 4023 1 596 . 1 1 45 45 GLN HA H 1 3.94 . . 1 . . . . . . . . 4023 1 597 . 1 1 45 45 GLN CB C 13 27.9 . . 1 . . . . . . . . 4023 1 598 . 1 1 45 45 GLN HB2 H 1 2.12 . . 2 . . . . . . . . 4023 1 599 . 1 1 45 45 GLN HB3 H 1 2.26 . . 2 . . . . . . . . 4023 1 600 . 1 1 45 45 GLN CG C 13 33.2 . . 1 . . . . . . . . 4023 1 601 . 1 1 45 45 GLN HG2 H 1 2.42 . . 1 . . . . . . . . 4023 1 602 . 1 1 45 45 GLN HG3 H 1 2.42 . . 1 . . . . . . . . 4023 1 603 . 1 1 45 45 GLN CD C 13 179.5 . . 1 . . . . . . . . 4023 1 604 . 1 1 45 45 GLN HE21 H 1 7.87 . . 2 . . . . . . . . 4023 1 605 . 1 1 45 45 GLN HE22 H 1 6.94 . . 2 . . . . . . . . 4023 1 606 . 1 1 45 45 GLN NE2 N 15 116.1 . . 1 . . . . . . . . 4023 1 607 . 1 1 46 46 SER N N 15 115.1 . . 1 . . . . . . . . 4023 1 608 . 1 1 46 46 SER H H 1 8.06 . . 1 . . . . . . . . 4023 1 609 . 1 1 46 46 SER C C 13 177.1 . . 1 . . . . . . . . 4023 1 610 . 1 1 46 46 SER CA C 13 62.2 . . 1 . . . . . . . . 4023 1 611 . 1 1 46 46 SER HA H 1 4.28 . . 1 . . . . . . . . 4023 1 612 . 1 1 46 46 SER CB C 13 63.00 . . 1 . . . . . . . . 4023 1 613 . 1 1 46 46 SER HB2 H 1 3.98 . . 2 . . . . . . . . 4023 1 614 . 1 1 46 46 SER HB3 H 1 4.1 . . 2 . . . . . . . . 4023 1 615 . 1 1 47 47 LEU N N 15 124.2 . . 1 . . . . . . . . 4023 1 616 . 1 1 47 47 LEU H H 1 8.13 . . 1 . . . . . . . . 4023 1 617 . 1 1 47 47 LEU C C 13 176.2 . . 1 . . . . . . . . 4023 1 618 . 1 1 47 47 LEU CA C 13 57.00 . . 1 . . . . . . . . 4023 1 619 . 1 1 47 47 LEU HA H 1 3.78 . . 1 . . . . . . . . 4023 1 620 . 1 1 47 47 LEU CB C 13 42.2 . . 1 . . . . . . . . 4023 1 621 . 1 1 47 47 LEU HB2 H 1 1.64 . . 2 . . . . . . . . 4023 1 622 . 1 1 47 47 LEU HB3 H 1 1.95 . . 2 . . . . . . . . 4023 1 623 . 1 1 47 47 LEU CG C 13 26.00 . . 1 . . . . . . . . 4023 1 624 . 1 1 47 47 LEU HG H 1 1.64 . . 1 . . . . . . . . 4023 1 625 . 1 1 47 47 LEU CD1 C 13 25.1 . . 2 . . . . . . . . 4023 1 626 . 1 1 47 47 LEU CD2 C 13 26.1 . . 2 . . . . . . . . 4023 1 627 . 1 1 47 47 LEU HD11 H 1 0.78 . . 2 . . . . . . . . 4023 1 628 . 1 1 47 47 LEU HD12 H 1 0.78 . . 2 . . . . . . . . 4023 1 629 . 1 1 47 47 LEU HD13 H 1 0.78 . . 2 . . . . . . . . 4023 1 630 . 1 1 47 47 LEU HD21 H 1 0.76 . . 2 . . . . . . . . 4023 1 631 . 1 1 47 47 LEU HD22 H 1 0.76 . . 2 . . . . . . . . 4023 1 632 . 1 1 47 47 LEU HD23 H 1 0.76 . . 2 . . . . . . . . 4023 1 633 . 1 1 48 48 LYS N N 15 115.6 . . 1 . . . . . . . . 4023 1 634 . 1 1 48 48 LYS H H 1 8.02 . . 1 . . . . . . . . 4023 1 635 . 1 1 48 48 LYS C C 13 177.8 . . 1 . . . . . . . . 4023 1 636 . 1 1 48 48 LYS CA C 13 58.9 . . 1 . . . . . . . . 4023 1 637 . 1 1 48 48 LYS HA H 1 4.00 . . 1 . . . . . . . . 4023 1 638 . 1 1 48 48 LYS CB C 13 31.8 . . 1 . . . . . . . . 4023 1 639 . 1 1 48 48 LYS HB2 H 1 1.92 . . 2 . . . . . . . . 4023 1 640 . 1 1 48 48 LYS HB3 H 1 1.98 . . 2 . . . . . . . . 4023 1 641 . 1 1 48 48 LYS CG C 13 25.7 . . 1 . . . . . . . . 4023 1 642 . 1 1 48 48 LYS HG2 H 1 1.4 . . 1 . . . . . . . . 4023 1 643 . 1 1 48 48 LYS HG3 H 1 1.4 . . 1 . . . . . . . . 4023 1 644 . 1 1 48 48 LYS CD C 13 29.5 . . 1 . . . . . . . . 4023 1 645 . 1 1 48 48 LYS HD2 H 1 1.68 . . 1 . . . . . . . . 4023 1 646 . 1 1 48 48 LYS HD3 H 1 1.68 . . 1 . . . . . . . . 4023 1 647 . 1 1 48 48 LYS CE C 13 41.00 . . 1 . . . . . . . . 4023 1 648 . 1 1 48 48 LYS HE2 H 1 2.88 . . 1 . . . . . . . . 4023 1 649 . 1 1 48 48 LYS HE3 H 1 2.88 . . 1 . . . . . . . . 4023 1 650 . 1 1 49 49 ASP N N 15 118.1 . . 1 . . . . . . . . 4023 1 651 . 1 1 49 49 ASP H H 1 8.15 . . 1 . . . . . . . . 4023 1 652 . 1 1 49 49 ASP C C 13 176.2 . . 1 . . . . . . . . 4023 1 653 . 1 1 49 49 ASP CA C 13 55.9 . . 1 . . . . . . . . 4023 1 654 . 1 1 49 49 ASP HA H 1 4.43 . . 1 . . . . . . . . 4023 1 655 . 1 1 49 49 ASP CB C 13 40.7 . . 1 . . . . . . . . 4023 1 656 . 1 1 49 49 ASP HB2 H 1 2.68 . . 2 . . . . . . . . 4023 1 657 . 1 1 49 49 ASP HB3 H 1 2.78 . . 2 . . . . . . . . 4023 1 658 . 1 1 50 50 ASP N N 15 113.8 . . 1 . . . . . . . . 4023 1 659 . 1 1 50 50 ASP H H 1 7.6 . . 1 . . . . . . . . 4023 1 660 . 1 1 50 50 ASP C C 13 171.7 . . 1 . . . . . . . . 4023 1 661 . 1 1 50 50 ASP CA C 13 51.00 . . 1 . . . . . . . . 4023 1 662 . 1 1 50 50 ASP HA H 1 4.93 . . 1 . . . . . . . . 4023 1 663 . 1 1 50 50 ASP CB C 13 40.1 . . 1 . . . . . . . . 4023 1 664 . 1 1 50 50 ASP HB2 H 1 2.57 . . 2 . . . . . . . . 4023 1 665 . 1 1 50 50 ASP HB3 H 1 2.99 . . 2 . . . . . . . . 4023 1 666 . 1 1 51 51 PRO C C 13 177.3 . . 1 . . . . . . . . 4023 1 667 . 1 1 51 51 PRO CA C 13 64.1 . . 1 . . . . . . . . 4023 1 668 . 1 1 51 51 PRO HA H 1 4.51 . . 1 . . . . . . . . 4023 1 669 . 1 1 51 51 PRO CB C 13 31.6 . . 1 . . . . . . . . 4023 1 670 . 1 1 51 51 PRO HB2 H 1 1.91 . . 2 . . . . . . . . 4023 1 671 . 1 1 51 51 PRO HB3 H 1 2.16 . . 2 . . . . . . . . 4023 1 672 . 1 1 51 51 PRO CG C 13 26.8 . . 1 . . . . . . . . 4023 1 673 . 1 1 51 51 PRO HG2 H 1 2.24 . . 1 . . . . . . . . 4023 1 674 . 1 1 51 51 PRO HG3 H 1 2.24 . . 1 . . . . . . . . 4023 1 675 . 1 1 51 51 PRO CD C 13 49.7 . . 1 . . . . . . . . 4023 1 676 . 1 1 51 51 PRO HD2 H 1 3.7 . . 2 . . . . . . . . 4023 1 677 . 1 1 51 51 PRO HD3 H 1 3.87 . . 2 . . . . . . . . 4023 1 678 . 1 1 52 52 SER N N 15 112.7 . . 1 . . . . . . . . 4023 1 679 . 1 1 52 52 SER H H 1 8.05 . . 1 . . . . . . . . 4023 1 680 . 1 1 52 52 SER C C 13 175.1 . . 1 . . . . . . . . 4023 1 681 . 1 1 52 52 SER CA C 13 62.1 . . 1 . . . . . . . . 4023 1 682 . 1 1 52 52 SER HA H 1 4.36 . . 1 . . . . . . . . 4023 1 683 . 1 1 52 52 SER CB C 13 62.3 . . 1 . . . . . . . . 4023 1 684 . 1 1 52 52 SER HB2 H 1 3.98 . . 2 . . . . . . . . 4023 1 685 . 1 1 52 52 SER HB3 H 1 4.04 . . 2 . . . . . . . . 4023 1 686 . 1 1 53 53 GLN N N 15 120.4 . . 1 . . . . . . . . 4023 1 687 . 1 1 53 53 GLN H H 1 7.88 . . 1 . . . . . . . . 4023 1 688 . 1 1 53 53 GLN C C 13 175.2 . . 1 . . . . . . . . 4023 1 689 . 1 1 53 53 GLN CA C 13 54.00 . . 1 . . . . . . . . 4023 1 690 . 1 1 53 53 GLN HA H 1 4.62 . . 1 . . . . . . . . 4023 1 691 . 1 1 53 53 GLN CB C 13 27.7 . . 1 . . . . . . . . 4023 1 692 . 1 1 53 53 GLN HB2 H 1 2.00 . . 2 . . . . . . . . 4023 1 693 . 1 1 53 53 GLN HB3 H 1 2.66 . . 2 . . . . . . . . 4023 1 694 . 1 1 53 53 GLN CG C 13 33.4 . . 1 . . . . . . . . 4023 1 695 . 1 1 53 53 GLN HG2 H 1 2.32 . . 2 . . . . . . . . 4023 1 696 . 1 1 53 53 GLN HG3 H 1 2.46 . . 2 . . . . . . . . 4023 1 697 . 1 1 53 53 GLN CD C 13 179.4 . . 1 . . . . . . . . 4023 1 698 . 1 1 53 53 GLN HE21 H 1 7.63 . . 2 . . . . . . . . 4023 1 699 . 1 1 53 53 GLN HE22 H 1 6.86 . . 2 . . . . . . . . 4023 1 700 . 1 1 53 53 GLN NE2 N 15 114.00 . . 1 . . . . . . . . 4023 1 701 . 1 1 54 54 SER N N 15 115.6 . . 1 . . . . . . . . 4023 1 702 . 1 1 54 54 SER H H 1 7.8 . . 1 . . . . . . . . 4023 1 703 . 1 1 54 54 SER C C 13 173.00 . . 1 . . . . . . . . 4023 1 704 . 1 1 54 54 SER CA C 13 63.00 . . 1 . . . . . . . . 4023 1 705 . 1 1 54 54 SER HA H 1 3.74 . . 1 . . . . . . . . 4023 1 706 . 1 1 54 54 SER CB C 13 61.1 . . 1 . . . . . . . . 4023 1 707 . 1 1 54 54 SER HB2 H 1 4.00 . . 1 . . . . . . . . 4023 1 708 . 1 1 54 54 SER HB3 H 1 4.00 . . 1 . . . . . . . . 4023 1 709 . 1 1 55 55 ALA N N 15 123.00 . . 1 . . . . . . . . 4023 1 710 . 1 1 55 55 ALA H H 1 8.44 . . 1 . . . . . . . . 4023 1 711 . 1 1 55 55 ALA C C 13 179.9 . . 1 . . . . . . . . 4023 1 712 . 1 1 55 55 ALA CA C 13 55.3 . . 1 . . . . . . . . 4023 1 713 . 1 1 55 55 ALA HA H 1 4.15 . . 1 . . . . . . . . 4023 1 714 . 1 1 55 55 ALA CB C 13 17.5 . . 1 . . . . . . . . 4023 1 715 . 1 1 55 55 ALA HB1 H 1 1.42 . . 1 . . . . . . . . 4023 1 716 . 1 1 55 55 ALA HB2 H 1 1.42 . . 1 . . . . . . . . 4023 1 717 . 1 1 55 55 ALA HB3 H 1 1.42 . . 1 . . . . . . . . 4023 1 718 . 1 1 56 56 ASN N N 15 118.5 . . 1 . . . . . . . . 4023 1 719 . 1 1 56 56 ASN H H 1 7.92 . . 1 . . . . . . . . 4023 1 720 . 1 1 56 56 ASN C C 13 176.7 . . 1 . . . . . . . . 4023 1 721 . 1 1 56 56 ASN CA C 13 55.5 . . 1 . . . . . . . . 4023 1 722 . 1 1 56 56 ASN HA H 1 4.54 . . 1 . . . . . . . . 4023 1 723 . 1 1 56 56 ASN CB C 13 37.7 . . 1 . . . . . . . . 4023 1 724 . 1 1 56 56 ASN HB2 H 1 2.89 . . 2 . . . . . . . . 4023 1 725 . 1 1 56 56 ASN HB3 H 1 2.91 . . 2 . . . . . . . . 4023 1 726 . 1 1 56 56 ASN CG C 13 175.00 . . 1 . . . . . . . . 4023 1 727 . 1 1 56 56 ASN HD21 H 1 7.78 . . 2 . . . . . . . . 4023 1 728 . 1 1 56 56 ASN HD22 H 1 7.03 . . 2 . . . . . . . . 4023 1 729 . 1 1 56 56 ASN ND2 N 15 112.9 . . 1 . . . . . . . . 4023 1 730 . 1 1 57 57 LEU N N 15 121.5 . . 1 . . . . . . . . 4023 1 731 . 1 1 57 57 LEU H H 1 8.61 . . 1 . . . . . . . . 4023 1 732 . 1 1 57 57 LEU C C 13 177.2 . . 1 . . . . . . . . 4023 1 733 . 1 1 57 57 LEU CA C 13 57.4 . . 1 . . . . . . . . 4023 1 734 . 1 1 57 57 LEU HA H 1 4.18 . . 1 . . . . . . . . 4023 1 735 . 1 1 57 57 LEU CB C 13 42.2 . . 1 . . . . . . . . 4023 1 736 . 1 1 57 57 LEU HB2 H 1 1.31 . . 2 . . . . . . . . 4023 1 737 . 1 1 57 57 LEU HB3 H 1 1.74 . . 2 . . . . . . . . 4023 1 738 . 1 1 57 57 LEU CG C 13 25.9 . . 1 . . . . . . . . 4023 1 739 . 1 1 57 57 LEU HG H 1 1.87 . . 1 . . . . . . . . 4023 1 740 . 1 1 57 57 LEU CD1 C 13 22.9 . . 2 . . . . . . . . 4023 1 741 . 1 1 57 57 LEU CD2 C 13 26.00 . . 2 . . . . . . . . 4023 1 742 . 1 1 57 57 LEU HD11 H 1 1.11 . . 2 . . . . . . . . 4023 1 743 . 1 1 57 57 LEU HD12 H 1 1.11 . . 2 . . . . . . . . 4023 1 744 . 1 1 57 57 LEU HD13 H 1 1.11 . . 2 . . . . . . . . 4023 1 745 . 1 1 57 57 LEU HD21 H 1 0.79 . . 2 . . . . . . . . 4023 1 746 . 1 1 57 57 LEU HD22 H 1 0.79 . . 2 . . . . . . . . 4023 1 747 . 1 1 57 57 LEU HD23 H 1 0.79 . . 2 . . . . . . . . 4023 1 748 . 1 1 58 58 LEU N N 15 118.8 . . 1 . . . . . . . . 4023 1 749 . 1 1 58 58 LEU H H 1 8.43 . . 1 . . . . . . . . 4023 1 750 . 1 1 58 58 LEU C C 13 176.8 . . 1 . . . . . . . . 4023 1 751 . 1 1 58 58 LEU CA C 13 57.6 . . 1 . . . . . . . . 4023 1 752 . 1 1 58 58 LEU HA H 1 3.83 . . 1 . . . . . . . . 4023 1 753 . 1 1 58 58 LEU CB C 13 41.5 . . 1 . . . . . . . . 4023 1 754 . 1 1 58 58 LEU HB2 H 1 1.46 . . 2 . . . . . . . . 4023 1 755 . 1 1 58 58 LEU HB3 H 1 1.92 . . 2 . . . . . . . . 4023 1 756 . 1 1 58 58 LEU CG C 13 24.5 . . 1 . . . . . . . . 4023 1 757 . 1 1 58 58 LEU HG H 1 1.53 . . 1 . . . . . . . . 4023 1 758 . 1 1 58 58 LEU CD1 C 13 23.2 . . 2 . . . . . . . . 4023 1 759 . 1 1 58 58 LEU CD2 C 13 24.4 . . 2 . . . . . . . . 4023 1 760 . 1 1 58 58 LEU HD11 H 1 0.91 . . 1 . . . . . . . . 4023 1 761 . 1 1 58 58 LEU HD12 H 1 0.91 . . 1 . . . . . . . . 4023 1 762 . 1 1 58 58 LEU HD13 H 1 0.91 . . 1 . . . . . . . . 4023 1 763 . 1 1 58 58 LEU HD21 H 1 0.91 . . 1 . . . . . . . . 4023 1 764 . 1 1 58 58 LEU HD22 H 1 0.91 . . 1 . . . . . . . . 4023 1 765 . 1 1 58 58 LEU HD23 H 1 0.91 . . 1 . . . . . . . . 4023 1 766 . 1 1 59 59 ALA N N 15 119.5 . . 1 . . . . . . . . 4023 1 767 . 1 1 59 59 ALA H H 1 7.61 . . 1 . . . . . . . . 4023 1 768 . 1 1 59 59 ALA C C 13 180.2 . . 1 . . . . . . . . 4023 1 769 . 1 1 59 59 ALA CA C 13 54.9 . . 1 . . . . . . . . 4023 1 770 . 1 1 59 59 ALA HA H 1 4.05 . . 1 . . . . . . . . 4023 1 771 . 1 1 59 59 ALA CB C 13 17.5 . . 1 . . . . . . . . 4023 1 772 . 1 1 59 59 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 4023 1 773 . 1 1 59 59 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 4023 1 774 . 1 1 59 59 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 4023 1 775 . 1 1 60 60 GLU N N 15 119.1 . . 1 . . . . . . . . 4023 1 776 . 1 1 60 60 GLU H H 1 8.07 . . 1 . . . . . . . . 4023 1 777 . 1 1 60 60 GLU C C 13 177.8 . . 1 . . . . . . . . 4023 1 778 . 1 1 60 60 GLU CA C 13 58.7 . . 1 . . . . . . . . 4023 1 779 . 1 1 60 60 GLU HA H 1 4.04 . . 1 . . . . . . . . 4023 1 780 . 1 1 60 60 GLU CB C 13 28.8 . . 1 . . . . . . . . 4023 1 781 . 1 1 60 60 GLU HB2 H 1 2.23 . . 2 . . . . . . . . 4023 1 782 . 1 1 60 60 GLU HB3 H 1 2.28 . . 2 . . . . . . . . 4023 1 783 . 1 1 60 60 GLU CG C 13 35.6 . . 1 . . . . . . . . 4023 1 784 . 1 1 60 60 GLU HG2 H 1 2.46 . . 1 . . . . . . . . 4023 1 785 . 1 1 60 60 GLU HG3 H 1 2.46 . . 1 . . . . . . . . 4023 1 786 . 1 1 61 61 ALA N N 15 124.00 . . 1 . . . . . . . . 4023 1 787 . 1 1 61 61 ALA H H 1 8.48 . . 1 . . . . . . . . 4023 1 788 . 1 1 61 61 ALA C C 13 178.5 . . 1 . . . . . . . . 4023 1 789 . 1 1 61 61 ALA CA C 13 54.8 . . 1 . . . . . . . . 4023 1 790 . 1 1 61 61 ALA HA H 1 3.49 . . 1 . . . . . . . . 4023 1 791 . 1 1 61 61 ALA CB C 13 17.00 . . 1 . . . . . . . . 4023 1 792 . 1 1 61 61 ALA HB1 H 1 0.5 . . 1 . . . . . . . . 4023 1 793 . 1 1 61 61 ALA HB2 H 1 0.5 . . 1 . . . . . . . . 4023 1 794 . 1 1 61 61 ALA HB3 H 1 0.5 . . 1 . . . . . . . . 4023 1 795 . 1 1 62 62 LYS N N 15 118.1 . . 1 . . . . . . . . 4023 1 796 . 1 1 62 62 LYS H H 1 8.5 . . 1 . . . . . . . . 4023 1 797 . 1 1 62 62 LYS C C 13 177.6 . . 1 . . . . . . . . 4023 1 798 . 1 1 62 62 LYS CA C 13 60.3 . . 1 . . . . . . . . 4023 1 799 . 1 1 62 62 LYS HA H 1 3.78 . . 1 . . . . . . . . 4023 1 800 . 1 1 62 62 LYS CB C 13 31.8 . . 1 . . . . . . . . 4023 1 801 . 1 1 62 62 LYS HB2 H 1 1.65 . . 2 . . . . . . . . 4023 1 802 . 1 1 62 62 LYS HB3 H 1 1.95 . . 2 . . . . . . . . 4023 1 803 . 1 1 62 62 LYS CG C 13 26.00 . . 1 . . . . . . . . 4023 1 804 . 1 1 62 62 LYS HG2 H 1 1.34 . . 1 . . . . . . . . 4023 1 805 . 1 1 62 62 LYS HG3 H 1 1.34 . . 1 . . . . . . . . 4023 1 806 . 1 1 62 62 LYS CD C 13 28.8 . . 1 . . . . . . . . 4023 1 807 . 1 1 62 62 LYS HD2 H 1 1.61 . . 1 . . . . . . . . 4023 1 808 . 1 1 62 62 LYS HD3 H 1 1.61 . . 1 . . . . . . . . 4023 1 809 . 1 1 62 62 LYS CE C 13 41.1 . . 1 . . . . . . . . 4023 1 810 . 1 1 62 62 LYS HE2 H 1 2.84 . . 2 . . . . . . . . 4023 1 811 . 1 1 62 62 LYS HE3 H 1 2.94 . . 2 . . . . . . . . 4023 1 812 . 1 1 63 63 LYS N N 15 120.2 . . 1 . . . . . . . . 4023 1 813 . 1 1 63 63 LYS H H 1 7.71 . . 1 . . . . . . . . 4023 1 814 . 1 1 63 63 LYS C C 13 178.6 . . 1 . . . . . . . . 4023 1 815 . 1 1 63 63 LYS CA C 13 59.7 . . 1 . . . . . . . . 4023 1 816 . 1 1 63 63 LYS HA H 1 4.13 . . 1 . . . . . . . . 4023 1 817 . 1 1 63 63 LYS CB C 13 32.1 . . 1 . . . . . . . . 4023 1 818 . 1 1 63 63 LYS HB2 H 1 1.96 . . 1 . . . . . . . . 4023 1 819 . 1 1 63 63 LYS HB3 H 1 1.96 . . 1 . . . . . . . . 4023 1 820 . 1 1 63 63 LYS CG C 13 24.6 . . 1 . . . . . . . . 4023 1 821 . 1 1 63 63 LYS HG2 H 1 1.41 . . 1 . . . . . . . . 4023 1 822 . 1 1 63 63 LYS HG3 H 1 1.41 . . 1 . . . . . . . . 4023 1 823 . 1 1 63 63 LYS CD C 13 28.8 . . 1 . . . . . . . . 4023 1 824 . 1 1 63 63 LYS HD2 H 1 1.62 . . 2 . . . . . . . . 4023 1 825 . 1 1 63 63 LYS HD3 H 1 1.72 . . 2 . . . . . . . . 4023 1 826 . 1 1 63 63 LYS CE C 13 41.5 . . 1 . . . . . . . . 4023 1 827 . 1 1 63 63 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 4023 1 828 . 1 1 63 63 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 4023 1 829 . 1 1 64 64 LEU N N 15 122.1 . . 1 . . . . . . . . 4023 1 830 . 1 1 64 64 LEU H H 1 7.95 . . 1 . . . . . . . . 4023 1 831 . 1 1 64 64 LEU C C 13 176.9 . . 1 . . . . . . . . 4023 1 832 . 1 1 64 64 LEU CA C 13 57.1 . . 1 . . . . . . . . 4023 1 833 . 1 1 64 64 LEU HA H 1 4.19 . . 1 . . . . . . . . 4023 1 834 . 1 1 64 64 LEU CB C 13 41.6 . . 1 . . . . . . . . 4023 1 835 . 1 1 64 64 LEU HB2 H 1 1.7 . . 2 . . . . . . . . 4023 1 836 . 1 1 64 64 LEU HB3 H 1 1.76 . . 2 . . . . . . . . 4023 1 837 . 1 1 64 64 LEU CG C 13 26.7 . . 1 . . . . . . . . 4023 1 838 . 1 1 64 64 LEU HG H 1 1.57 . . 1 . . . . . . . . 4023 1 839 . 1 1 64 64 LEU CD1 C 13 23.4 . . 2 . . . . . . . . 4023 1 840 . 1 1 64 64 LEU CD2 C 13 24.4 . . 2 . . . . . . . . 4023 1 841 . 1 1 64 64 LEU HD11 H 1 1.00 . . 1 . . . . . . . . 4023 1 842 . 1 1 64 64 LEU HD12 H 1 1.00 . . 1 . . . . . . . . 4023 1 843 . 1 1 64 64 LEU HD13 H 1 1.00 . . 1 . . . . . . . . 4023 1 844 . 1 1 64 64 LEU HD21 H 1 1.00 . . 1 . . . . . . . . 4023 1 845 . 1 1 64 64 LEU HD22 H 1 1.00 . . 1 . . . . . . . . 4023 1 846 . 1 1 64 64 LEU HD23 H 1 1.00 . . 1 . . . . . . . . 4023 1 847 . 1 1 65 65 ASN N N 15 117.00 . . 1 . . . . . . . . 4023 1 848 . 1 1 65 65 ASN H H 1 8.58 . . 1 . . . . . . . . 4023 1 849 . 1 1 65 65 ASN C C 13 176.4 . . 1 . . . . . . . . 4023 1 850 . 1 1 65 65 ASN CA C 13 57.3 . . 1 . . . . . . . . 4023 1 851 . 1 1 65 65 ASN HA H 1 3.97 . . 1 . . . . . . . . 4023 1 852 . 1 1 65 65 ASN CB C 13 41.5 . . 1 . . . . . . . . 4023 1 853 . 1 1 65 65 ASN HB2 H 1 2.39 . . 2 . . . . . . . . 4023 1 854 . 1 1 65 65 ASN HB3 H 1 3.11 . . 2 . . . . . . . . 4023 1 855 . 1 1 65 65 ASN CG C 13 179.5 . . 1 . . . . . . . . 4023 1 856 . 1 1 65 65 ASN HD21 H 1 7.96 . . 2 . . . . . . . . 4023 1 857 . 1 1 65 65 ASN HD22 H 1 6.85 . . 2 . . . . . . . . 4023 1 858 . 1 1 65 65 ASN ND2 N 15 116.1 . . 1 . . . . . . . . 4023 1 859 . 1 1 66 66 ASP N N 15 118.7 . . 1 . . . . . . . . 4023 1 860 . 1 1 66 66 ASP H H 1 8.25 . . 1 . . . . . . . . 4023 1 861 . 1 1 66 66 ASP C C 13 177.7 . . 1 . . . . . . . . 4023 1 862 . 1 1 66 66 ASP CA C 13 56.5 . . 1 . . . . . . . . 4023 1 863 . 1 1 66 66 ASP HA H 1 4.48 . . 1 . . . . . . . . 4023 1 864 . 1 1 66 66 ASP CB C 13 39.6 . . 1 . . . . . . . . 4023 1 865 . 1 1 66 66 ASP HB2 H 1 2.72 . . 2 . . . . . . . . 4023 1 866 . 1 1 66 66 ASP HB3 H 1 2.77 . . 2 . . . . . . . . 4023 1 867 . 1 1 67 67 ALA N N 15 122.9 . . 1 . . . . . . . . 4023 1 868 . 1 1 67 67 ALA H H 1 8.06 . . 1 . . . . . . . . 4023 1 869 . 1 1 67 67 ALA C C 13 178.2 . . 1 . . . . . . . . 4023 1 870 . 1 1 67 67 ALA CA C 13 54.1 . . 1 . . . . . . . . 4023 1 871 . 1 1 67 67 ALA HA H 1 4.24 . . 1 . . . . . . . . 4023 1 872 . 1 1 67 67 ALA CB C 13 18.1 . . 1 . . . . . . . . 4023 1 873 . 1 1 67 67 ALA HB1 H 1 1.58 . . 1 . . . . . . . . 4023 1 874 . 1 1 67 67 ALA HB2 H 1 1.58 . . 1 . . . . . . . . 4023 1 875 . 1 1 67 67 ALA HB3 H 1 1.58 . . 1 . . . . . . . . 4023 1 876 . 1 1 68 68 GLN N N 15 115.00 . . 1 . . . . . . . . 4023 1 877 . 1 1 68 68 GLN H H 1 7.57 . . 1 . . . . . . . . 4023 1 878 . 1 1 68 68 GLN C C 13 172.9 . . 1 . . . . . . . . 4023 1 879 . 1 1 68 68 GLN CA C 13 54.5 . . 1 . . . . . . . . 4023 1 880 . 1 1 68 68 GLN HA H 1 4.4 . . 1 . . . . . . . . 4023 1 881 . 1 1 68 68 GLN CB C 13 27.8 . . 1 . . . . . . . . 4023 1 882 . 1 1 68 68 GLN HB2 H 1 1.82 . . 2 . . . . . . . . 4023 1 883 . 1 1 68 68 GLN HB3 H 1 2.32 . . 2 . . . . . . . . 4023 1 884 . 1 1 68 68 GLN CG C 13 35.4 . . 1 . . . . . . . . 4023 1 885 . 1 1 68 68 GLN HG2 H 1 2.46 . . 2 . . . . . . . . 4023 1 886 . 1 1 68 68 GLN HG3 H 1 2.67 . . 2 . . . . . . . . 4023 1 887 . 1 1 68 68 GLN CD C 13 180.6 . . 1 . . . . . . . . 4023 1 888 . 1 1 68 68 GLN HE21 H 1 8.75 . . 2 . . . . . . . . 4023 1 889 . 1 1 68 68 GLN HE22 H 1 7.3 . . 2 . . . . . . . . 4023 1 890 . 1 1 68 68 GLN NE2 N 15 111.00 . . 1 . . . . . . . . 4023 1 891 . 1 1 69 69 ALA N N 15 124.4 . . 1 . . . . . . . . 4023 1 892 . 1 1 69 69 ALA H H 1 7.14 . . 1 . . . . . . . . 4023 1 893 . 1 1 69 69 ALA C C 13 174.3 . . 1 . . . . . . . . 4023 1 894 . 1 1 69 69 ALA CA C 13 50.5 . . 1 . . . . . . . . 4023 1 895 . 1 1 69 69 ALA HA H 1 4.36 . . 1 . . . . . . . . 4023 1 896 . 1 1 69 69 ALA CB C 13 17.5 . . 1 . . . . . . . . 4023 1 897 . 1 1 69 69 ALA HB1 H 1 1.45 . . 1 . . . . . . . . 4023 1 898 . 1 1 69 69 ALA HB2 H 1 1.45 . . 1 . . . . . . . . 4023 1 899 . 1 1 69 69 ALA HB3 H 1 1.45 . . 1 . . . . . . . . 4023 1 900 . 1 1 70 70 PRO C C 13 174.9 . . 1 . . . . . . . . 4023 1 901 . 1 1 70 70 PRO CA C 13 63.00 . . 1 . . . . . . . . 4023 1 902 . 1 1 70 70 PRO HA H 1 4.43 . . 1 . . . . . . . . 4023 1 903 . 1 1 70 70 PRO CB C 13 31.5 . . 1 . . . . . . . . 4023 1 904 . 1 1 70 70 PRO HB2 H 1 1.97 . . 2 . . . . . . . . 4023 1 905 . 1 1 70 70 PRO HB3 H 1 2.32 . . 2 . . . . . . . . 4023 1 906 . 1 1 70 70 PRO CG C 13 26.8 . . 1 . . . . . . . . 4023 1 907 . 1 1 70 70 PRO HG2 H 1 2.08 . . 1 . . . . . . . . 4023 1 908 . 1 1 70 70 PRO HG3 H 1 2.08 . . 1 . . . . . . . . 4023 1 909 . 1 1 70 70 PRO CD C 13 50.1 . . 1 . . . . . . . . 4023 1 910 . 1 1 70 70 PRO HD2 H 1 3.64 . . 2 . . . . . . . . 4023 1 911 . 1 1 70 70 PRO HD3 H 1 3.8 . . 2 . . . . . . . . 4023 1 912 . 1 1 71 71 LYS N N 15 127.3 . . 1 . . . . . . . . 4023 1 913 . 1 1 71 71 LYS H H 1 8.05 . . 1 . . . . . . . . 4023 1 914 . 1 1 71 71 LYS C C 13 174.4 . . 1 . . . . . . . . 4023 1 915 . 1 1 71 71 LYS CA C 13 56.7 . . 1 . . . . . . . . 4023 1 916 . 1 1 71 71 LYS HA H 1 4.2 . . 1 . . . . . . . . 4023 1 917 . 1 1 71 71 LYS CB C 13 33.3 . . 1 . . . . . . . . 4023 1 918 . 1 1 71 71 LYS HB2 H 1 1.72 . . 2 . . . . . . . . 4023 1 919 . 1 1 71 71 LYS HB3 H 1 1.86 . . 2 . . . . . . . . 4023 1 920 . 1 1 71 71 LYS CG C 13 28.3 . . 1 . . . . . . . . 4023 1 921 . 1 1 71 71 LYS HG2 H 1 1.44 . . 1 . . . . . . . . 4023 1 922 . 1 1 71 71 LYS HG3 H 1 1.44 . . 1 . . . . . . . . 4023 1 923 . 1 1 71 71 LYS CD C 13 28.6 . . 1 . . . . . . . . 4023 1 924 . 1 1 71 71 LYS HD2 H 1 1.7 . . 1 . . . . . . . . 4023 1 925 . 1 1 71 71 LYS HD3 H 1 1.7 . . 1 . . . . . . . . 4023 1 926 . 1 1 71 71 LYS CE C 13 41.8 . . 1 . . . . . . . . 4023 1 927 . 1 1 71 71 LYS HE2 H 1 3.04 . . 1 . . . . . . . . 4023 1 928 . 1 1 71 71 LYS HE3 H 1 3.04 . . 1 . . . . . . . . 4023 1 stop_ save_