data_5846 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5846 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for Hypothetical protein NMA1147: the Northeast Structural Genomics Consortium Target MR19 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-06-25 _Entry.Accession_date 2003-06-26 _Entry.Last_release_date 2004-06-30 _Entry.Original_release_date 2004-06-30 _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 Gaohua Liu . . . 5846 2 Duangxiang Xu . . . 5846 3 Dinesh Sukumaran . . . 5846 4 Yiwen Chiang . . . 5846 5 Tom Acton . . . 5846 6 Gaetano Montelione . T. . 5846 7 Thomas Szyperski . . . 5846 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5846 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 617 5846 '13C chemical shifts' 377 5846 '15N chemical shifts' 82 5846 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 . . 2004-06-30 2003-06-25 original author . 5846 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5846 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15103637 _Citation.Full_citation . _Citation.Title ; NMR Structure of the Hypothetical protein NMA1147 from Neisseria meningitidis reveals a distinct 5-helix bundle. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 55 _Citation.Journal_issue 3 _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 756 _Citation.Page_last 758 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Gaohua Liu . . . 5846 1 2 DK. Sukumaran . . . 5846 1 3 Duangxiang Xu . . . 5846 1 4 Yiwen Chiang . . . 5846 1 5 Tom Acton . . . 5846 1 6 S. Goldsmith-Fischman . . . 5846 1 7 B. Honig . . . 5846 1 8 Gaetano Montelione . T. . 5846 1 9 Thomas Szyperski . . . 5846 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MR19 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MR19 _Assembly.Entry_ID 5846 _Assembly.ID 1 _Assembly.Name 'MR19 monomer' _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 5846 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 'MR19 monomer' 1 $MR19 . . . native . . . . . 5846 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'MR19 monomer' system 5846 1 MR19 abbreviation 5846 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MR19 _Entity.Sf_category entity _Entity.Sf_framecode MR19 _Entity.Entry_ID 5846 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Hypothetical protein NMA1147' _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 ; MMVFDDIAKRKIRFQTRRGL LELDLIFGRFMEKEFEHLSD KELSEFSEILEFQDQELLAL INGHSETDKGHLIPMLEKIR RA ; _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 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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 . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1PUZ . "Solution Nmr Structure Of Protein Nma1147 From Neisseria Meningitidis. Northeast Structural Genomics Consortium Target Mr19" . . . . . 100.00 82 100.00 100.00 5.61e-49 . . . . 5846 1 2 no EMBL CAM08353 . "hypothetical protein NMA1147 [Neisseria meningitidis Z2491]" . . . . . 100.00 82 100.00 100.00 5.61e-49 . . . . 5846 1 3 no EMBL CAM10206 . "hypothetical protein NMC0929 [Neisseria meningitidis FAM18]" . . . . . 100.00 82 100.00 100.00 5.61e-49 . . . . 5846 1 4 no EMBL CAX50273 . "conserved hypothetical TPR-containing protein [Neisseria meningitidis 8013]" . . . . . 100.00 82 100.00 100.00 5.61e-49 . . . . 5846 1 5 no EMBL CBA05473 . "conserved hypothetical protein [Neisseria meningitidis alpha14]" . . . . . 100.00 82 100.00 100.00 5.61e-49 . . . . 5846 1 6 no EMBL CBA07140 . "conserved hypothetical protein [Neisseria meningitidis alpha275]" . . . . . 100.00 82 100.00 100.00 5.61e-49 . . . . 5846 1 7 no GB AAF41358 . "conserved hypothetical protein [Neisseria meningitidis MC58]" . . . . . 100.00 82 100.00 100.00 5.61e-49 . . . . 5846 1 8 no GB AAW89615 . "conserved hypothetical protein [Neisseria gonorrhoeae FA 1090]" . . . . . 100.00 82 98.78 100.00 5.06e-48 . . . . 5846 1 9 no GB ABX73078 . "conserved hypothetical protein [Neisseria meningitidis 053442]" . . . . . 100.00 82 100.00 100.00 5.61e-49 . . . . 5846 1 10 no GB ACF29560 . "Conserved hypothetical protein [Neisseria gonorrhoeae NCCP11945]" . . . . . 100.00 82 98.78 100.00 5.06e-48 . . . . 5846 1 11 no GB ADO31929 . "hypothetical protein NMBB_1677 [Neisseria meningitidis alpha710]" . . . . . 100.00 82 100.00 100.00 5.61e-49 . . . . 5846 1 12 no REF NP_273990 . "hypothetical protein NMB0952 [Neisseria meningitidis MC58]" . . . . . 100.00 82 100.00 100.00 5.61e-49 . . . . 5846 1 13 no REF WP_002213764 . "hypothetical protein [Neisseria meningitidis]" . . . . . 100.00 82 100.00 100.00 5.61e-49 . . . . 5846 1 14 no REF WP_002219394 . "hypothetical protein [Neisseria meningitidis]" . . . . . 98.78 81 100.00 100.00 3.47e-48 . . . . 5846 1 15 no REF WP_003688400 . "hypothetical protein [Neisseria gonorrhoeae]" . . . . . 100.00 82 98.78 100.00 5.06e-48 . . . . 5846 1 16 no REF WP_003709811 . "MULTISPECIES: hypothetical protein [Neisseria]" . . . . . 100.00 82 97.56 97.56 2.18e-47 . . . . 5846 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Hypothetical protein NMA1147' common 5846 1 MR19 abbreviation 5846 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 . MET . 5846 1 2 . MET . 5846 1 3 . VAL . 5846 1 4 . PHE . 5846 1 5 . ASP . 5846 1 6 . ASP . 5846 1 7 . ILE . 5846 1 8 . ALA . 5846 1 9 . LYS . 5846 1 10 . ARG . 5846 1 11 . LYS . 5846 1 12 . ILE . 5846 1 13 . ARG . 5846 1 14 . PHE . 5846 1 15 . GLN . 5846 1 16 . THR . 5846 1 17 . ARG . 5846 1 18 . ARG . 5846 1 19 . GLY . 5846 1 20 . LEU . 5846 1 21 . LEU . 5846 1 22 . GLU . 5846 1 23 . LEU . 5846 1 24 . ASP . 5846 1 25 . LEU . 5846 1 26 . ILE . 5846 1 27 . PHE . 5846 1 28 . GLY . 5846 1 29 . ARG . 5846 1 30 . PHE . 5846 1 31 . MET . 5846 1 32 . GLU . 5846 1 33 . LYS . 5846 1 34 . GLU . 5846 1 35 . PHE . 5846 1 36 . GLU . 5846 1 37 . HIS . 5846 1 38 . LEU . 5846 1 39 . SER . 5846 1 40 . ASP . 5846 1 41 . LYS . 5846 1 42 . GLU . 5846 1 43 . LEU . 5846 1 44 . SER . 5846 1 45 . GLU . 5846 1 46 . PHE . 5846 1 47 . SER . 5846 1 48 . GLU . 5846 1 49 . ILE . 5846 1 50 . LEU . 5846 1 51 . GLU . 5846 1 52 . PHE . 5846 1 53 . GLN . 5846 1 54 . ASP . 5846 1 55 . GLN . 5846 1 56 . GLU . 5846 1 57 . LEU . 5846 1 58 . LEU . 5846 1 59 . ALA . 5846 1 60 . LEU . 5846 1 61 . ILE . 5846 1 62 . ASN . 5846 1 63 . GLY . 5846 1 64 . HIS . 5846 1 65 . SER . 5846 1 66 . GLU . 5846 1 67 . THR . 5846 1 68 . ASP . 5846 1 69 . LYS . 5846 1 70 . GLY . 5846 1 71 . HIS . 5846 1 72 . LEU . 5846 1 73 . ILE . 5846 1 74 . PRO . 5846 1 75 . MET . 5846 1 76 . LEU . 5846 1 77 . GLU . 5846 1 78 . LYS . 5846 1 79 . ILE . 5846 1 80 . ARG . 5846 1 81 . ARG . 5846 1 82 . ALA . 5846 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 . MET 1 1 5846 1 . MET 2 2 5846 1 . VAL 3 3 5846 1 . PHE 4 4 5846 1 . ASP 5 5 5846 1 . ASP 6 6 5846 1 . ILE 7 7 5846 1 . ALA 8 8 5846 1 . LYS 9 9 5846 1 . ARG 10 10 5846 1 . LYS 11 11 5846 1 . ILE 12 12 5846 1 . ARG 13 13 5846 1 . PHE 14 14 5846 1 . GLN 15 15 5846 1 . THR 16 16 5846 1 . ARG 17 17 5846 1 . ARG 18 18 5846 1 . GLY 19 19 5846 1 . LEU 20 20 5846 1 . LEU 21 21 5846 1 . GLU 22 22 5846 1 . LEU 23 23 5846 1 . ASP 24 24 5846 1 . LEU 25 25 5846 1 . ILE 26 26 5846 1 . PHE 27 27 5846 1 . GLY 28 28 5846 1 . ARG 29 29 5846 1 . PHE 30 30 5846 1 . MET 31 31 5846 1 . GLU 32 32 5846 1 . LYS 33 33 5846 1 . GLU 34 34 5846 1 . PHE 35 35 5846 1 . GLU 36 36 5846 1 . HIS 37 37 5846 1 . LEU 38 38 5846 1 . SER 39 39 5846 1 . ASP 40 40 5846 1 . LYS 41 41 5846 1 . GLU 42 42 5846 1 . LEU 43 43 5846 1 . SER 44 44 5846 1 . GLU 45 45 5846 1 . PHE 46 46 5846 1 . SER 47 47 5846 1 . GLU 48 48 5846 1 . ILE 49 49 5846 1 . LEU 50 50 5846 1 . GLU 51 51 5846 1 . PHE 52 52 5846 1 . GLN 53 53 5846 1 . ASP 54 54 5846 1 . GLN 55 55 5846 1 . GLU 56 56 5846 1 . LEU 57 57 5846 1 . LEU 58 58 5846 1 . ALA 59 59 5846 1 . LEU 60 60 5846 1 . ILE 61 61 5846 1 . ASN 62 62 5846 1 . GLY 63 63 5846 1 . HIS 64 64 5846 1 . SER 65 65 5846 1 . GLU 66 66 5846 1 . THR 67 67 5846 1 . ASP 68 68 5846 1 . LYS 69 69 5846 1 . GLY 70 70 5846 1 . HIS 71 71 5846 1 . LEU 72 72 5846 1 . ILE 73 73 5846 1 . PRO 74 74 5846 1 . MET 75 75 5846 1 . LEU 76 76 5846 1 . GLU 77 77 5846 1 . LYS 78 78 5846 1 . ILE 79 79 5846 1 . ARG 80 80 5846 1 . ARG 81 81 5846 1 . ALA 82 82 5846 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 5846 _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 $MR19 . 487 . . 'Neisseria meningitidis' 'Neisseria meningitidis' . . Bacteria . Neisseria meningitidis . . . . . . . . . . . . . . . . . . . . . 5846 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 5846 _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 $MR19 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5846 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5846 _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 'Hypothetical protein NMA1147' '[U-100% 13C; U-100% 15N]' . . 1 $MR19 . . 1.0 . . mM . . . . 5846 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5846 _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 'Hypothetical protein NMA1147' '[U-5% 13C; U-100% 15N]' . . 1 $MR19 . . 1.0 . . mM . . . . 5846 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5846 _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 0.2 na 5846 1 temperature 298 1 K 5846 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5846 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer INOVA _NMR_spectrometer.Model Varian _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5846 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer INOVA _NMR_spectrometer.Model Varian _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 5846 _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_1 INOVA Varian . 750 . . . 5846 1 2 NMR_spectrometer_2 INOVA Varian . 600 . . . 5846 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 5846 _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 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5846 1 2 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5846 1 3 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5846 1 4 HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5846 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5846 1 6 HNNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5846 1 7 HNNCAHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5846 1 8 HACA(co)NHN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5846 1 9 HABCAB(co)NHN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5846 1 10 HCCHTOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5846 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5846 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5846 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5846 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5846 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5846 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5846 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5846 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNNCAHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5846 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HACA(co)NHN _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5846 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HABCAB(co)NHN _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5846 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCHTOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 5846 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5846 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5846 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5846 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5846 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 '1H-15N NOESY' 1 $sample_1 . 5846 1 2 '1H-13C NOESY' 1 $sample_1 . 5846 1 3 HNHA 1 $sample_1 . 5846 1 4 HSQC 1 $sample_1 . 5846 1 5 HNCO 1 $sample_1 . 5846 1 6 HNNCACB 1 $sample_1 . 5846 1 7 HNNCAHA 1 $sample_1 . 5846 1 8 HACA(co)NHN 1 $sample_1 . 5846 1 9 HABCAB(co)NHN 1 $sample_1 . 5846 1 10 HCCHTOCSY 1 $sample_1 . 5846 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 MET CG C 13 36.0 0.1 . 1 . . . . . . . . 5846 1 2 . 1 1 1 1 MET HG2 H 1 2.30 0.01 . 2 . . . . . . . . 5846 1 3 . 1 1 1 1 MET HG3 H 1 2.40 0.01 . 2 . . . . . . . . 5846 1 4 . 1 1 2 2 MET CA C 13 55.5 0.1 . 1 . . . . . . . . 5846 1 5 . 1 1 2 2 MET HA H 1 4.41 0.01 . 1 . . . . . . . . 5846 1 6 . 1 1 2 2 MET CB C 13 33.1 0.1 . 1 . . . . . . . . 5846 1 7 . 1 1 2 2 MET HB2 H 1 1.88 0.01 . 1 . . . . . . . . 5846 1 8 . 1 1 2 2 MET HB3 H 1 1.88 0.01 . 1 . . . . . . . . 5846 1 9 . 1 1 2 2 MET CG C 13 31.6 0.1 . 1 . . . . . . . . 5846 1 10 . 1 1 2 2 MET HG2 H 1 2.27 0.01 . 2 . . . . . . . . 5846 1 11 . 1 1 2 2 MET HG3 H 1 2.33 0.01 . 2 . . . . . . . . 5846 1 12 . 1 1 2 2 MET C C 13 174.3 0.1 . 1 . . . . . . . . 5846 1 13 . 1 1 3 3 VAL N N 15 122.6 0.1 . 1 . . . . . . . . 5846 1 14 . 1 1 3 3 VAL H H 1 8.06 0.01 . 1 . . . . . . . . 5846 1 15 . 1 1 3 3 VAL CA C 13 61.7 0.1 . 1 . . . . . . . . 5846 1 16 . 1 1 3 3 VAL HA H 1 4.10 0.01 . 1 . . . . . . . . 5846 1 17 . 1 1 3 3 VAL CB C 13 33.1 0.1 . 1 . . . . . . . . 5846 1 18 . 1 1 3 3 VAL HB H 1 1.91 0.01 . 1 . . . . . . . . 5846 1 19 . 1 1 3 3 VAL HG11 H 1 0.85 0.01 . 2 . . . . . . . . 5846 1 20 . 1 1 3 3 VAL HG12 H 1 0.85 0.01 . 2 . . . . . . . . 5846 1 21 . 1 1 3 3 VAL HG13 H 1 0.85 0.01 . 2 . . . . . . . . 5846 1 22 . 1 1 3 3 VAL HG21 H 1 0.91 0.01 . 2 . . . . . . . . 5846 1 23 . 1 1 3 3 VAL HG22 H 1 0.91 0.01 . 2 . . . . . . . . 5846 1 24 . 1 1 3 3 VAL HG23 H 1 0.91 0.01 . 2 . . . . . . . . 5846 1 25 . 1 1 3 3 VAL CG1 C 13 20.7 0.1 . 1 . . . . . . . . 5846 1 26 . 1 1 3 3 VAL CG2 C 13 20.7 0.1 . 1 . . . . . . . . 5846 1 27 . 1 1 3 3 VAL C C 13 175.9 0.1 . 1 . . . . . . . . 5846 1 28 . 1 1 4 4 PHE N N 15 126.7 0.1 . 1 . . . . . . . . 5846 1 29 . 1 1 4 4 PHE H H 1 8.71 0.01 . 1 . . . . . . . . 5846 1 30 . 1 1 4 4 PHE CA C 13 58.1 0.1 . 1 . . . . . . . . 5846 1 31 . 1 1 4 4 PHE HA H 1 4.42 0.01 . 1 . . . . . . . . 5846 1 32 . 1 1 4 4 PHE CB C 13 39.5 0.1 . 1 . . . . . . . . 5846 1 33 . 1 1 4 4 PHE HB2 H 1 2.76 0.01 . 2 . . . . . . . . 5846 1 34 . 1 1 4 4 PHE HB3 H 1 3.02 0.01 . 2 . . . . . . . . 5846 1 35 . 1 1 4 4 PHE HD1 H 1 7.11 0.01 . 1 . . . . . . . . 5846 1 36 . 1 1 4 4 PHE HD2 H 1 7.11 0.01 . 1 . . . . . . . . 5846 1 37 . 1 1 4 4 PHE HE1 H 1 7.33 0.01 . 1 . . . . . . . . 5846 1 38 . 1 1 4 4 PHE HE2 H 1 7.33 0.01 . 1 . . . . . . . . 5846 1 39 . 1 1 4 4 PHE CD1 C 13 131.5 0.1 . 1 . . . . . . . . 5846 1 40 . 1 1 4 4 PHE CE1 C 13 131.5 0.1 . 1 . . . . . . . . 5846 1 41 . 1 1 4 4 PHE CZ C 13 128.9 0.1 . 1 . . . . . . . . 5846 1 42 . 1 1 4 4 PHE HZ H 1 7.16 0.01 . 1 . . . . . . . . 5846 1 43 . 1 1 4 4 PHE C C 13 174.7 0.1 . 1 . . . . . . . . 5846 1 44 . 1 1 5 5 ASP N N 15 124.0 0.1 . 1 . . . . . . . . 5846 1 45 . 1 1 5 5 ASP H H 1 7.82 0.01 . 1 . . . . . . . . 5846 1 46 . 1 1 5 5 ASP CA C 13 52.3 0.1 . 1 . . . . . . . . 5846 1 47 . 1 1 5 5 ASP HA H 1 4.75 0.01 . 1 . . . . . . . . 5846 1 48 . 1 1 5 5 ASP CB C 13 41.0 0.1 . 1 . . . . . . . . 5846 1 49 . 1 1 5 5 ASP HB2 H 1 2.72 0.01 . 2 . . . . . . . . 5846 1 50 . 1 1 5 5 ASP HB3 H 1 3.17 0.01 . 2 . . . . . . . . 5846 1 51 . 1 1 5 5 ASP C C 13 175.5 0.1 . 1 . . . . . . . . 5846 1 52 . 1 1 6 6 ASP N N 15 118.6 0.1 . 1 . . . . . . . . 5846 1 53 . 1 1 6 6 ASP H H 1 8.46 0.01 . 1 . . . . . . . . 5846 1 54 . 1 1 6 6 ASP CA C 13 57.8 0.1 . 1 . . . . . . . . 5846 1 55 . 1 1 6 6 ASP HA H 1 4.38 0.01 . 1 . . . . . . . . 5846 1 56 . 1 1 6 6 ASP CB C 13 40.6 0.1 . 1 . . . . . . . . 5846 1 57 . 1 1 6 6 ASP HB2 H 1 2.69 0.01 . 1 . . . . . . . . 5846 1 58 . 1 1 6 6 ASP HB3 H 1 2.69 0.01 . 1 . . . . . . . . 5846 1 59 . 1 1 6 6 ASP C C 13 178.5 0.1 . 1 . . . . . . . . 5846 1 60 . 1 1 7 7 ILE N N 15 121.3 0.1 . 1 . . . . . . . . 5846 1 61 . 1 1 7 7 ILE H H 1 7.66 0.01 . 1 . . . . . . . . 5846 1 62 . 1 1 7 7 ILE CA C 13 64.3 0.1 . 1 . . . . . . . . 5846 1 63 . 1 1 7 7 ILE HA H 1 3.70 0.01 . 1 . . . . . . . . 5846 1 64 . 1 1 7 7 ILE CB C 13 37.1 0.1 . 1 . . . . . . . . 5846 1 65 . 1 1 7 7 ILE HB H 1 2.08 0.01 . 1 . . . . . . . . 5846 1 66 . 1 1 7 7 ILE HG21 H 1 0.94 0.01 . 1 . . . . . . . . 5846 1 67 . 1 1 7 7 ILE HG22 H 1 0.94 0.01 . 1 . . . . . . . . 5846 1 68 . 1 1 7 7 ILE HG23 H 1 0.94 0.01 . 1 . . . . . . . . 5846 1 69 . 1 1 7 7 ILE CG2 C 13 17.1 0.1 . 1 . . . . . . . . 5846 1 70 . 1 1 7 7 ILE CG1 C 13 28.8 0.1 . 1 . . . . . . . . 5846 1 71 . 1 1 7 7 ILE HG12 H 1 1.62 0.01 . 2 . . . . . . . . 5846 1 72 . 1 1 7 7 ILE HG13 H 1 1.24 0.01 . 2 . . . . . . . . 5846 1 73 . 1 1 7 7 ILE HD11 H 1 0.90 0.01 . 1 . . . . . . . . 5846 1 74 . 1 1 7 7 ILE HD12 H 1 0.90 0.01 . 1 . . . . . . . . 5846 1 75 . 1 1 7 7 ILE HD13 H 1 0.90 0.01 . 1 . . . . . . . . 5846 1 76 . 1 1 7 7 ILE CD1 C 13 12.4 0.1 . 1 . . . . . . . . 5846 1 77 . 1 1 7 7 ILE C C 13 178.3 0.1 . 1 . . . . . . . . 5846 1 78 . 1 1 8 8 ALA N N 15 124.9 0.1 . 1 . . . . . . . . 5846 1 79 . 1 1 8 8 ALA H H 1 8.27 0.01 . 1 . . . . . . . . 5846 1 80 . 1 1 8 8 ALA CA C 13 55.0 0.1 . 1 . . . . . . . . 5846 1 81 . 1 1 8 8 ALA HA H 1 4.21 0.01 . 1 . . . . . . . . 5846 1 82 . 1 1 8 8 ALA HB1 H 1 1.67 0.01 . 1 . . . . . . . . 5846 1 83 . 1 1 8 8 ALA HB2 H 1 1.67 0.01 . 1 . . . . . . . . 5846 1 84 . 1 1 8 8 ALA HB3 H 1 1.67 0.01 . 1 . . . . . . . . 5846 1 85 . 1 1 8 8 ALA CB C 13 19.2 0.1 . 1 . . . . . . . . 5846 1 86 . 1 1 8 8 ALA C C 13 181.4 0.1 . 1 . . . . . . . . 5846 1 87 . 1 1 9 9 LYS N N 15 118.1 0.1 . 1 . . . . . . . . 5846 1 88 . 1 1 9 9 LYS H H 1 8.56 0.01 . 1 . . . . . . . . 5846 1 89 . 1 1 9 9 LYS CA C 13 60.8 0.1 . 1 . . . . . . . . 5846 1 90 . 1 1 9 9 LYS HA H 1 4.11 0.01 . 1 . . . . . . . . 5846 1 91 . 1 1 9 9 LYS CB C 13 32.7 0.1 . 1 . . . . . . . . 5846 1 92 . 1 1 9 9 LYS HB2 H 1 2.05 0.01 . 1 . . . . . . . . 5846 1 93 . 1 1 9 9 LYS HB3 H 1 2.05 0.01 . 1 . . . . . . . . 5846 1 94 . 1 1 9 9 LYS CG C 13 27.7 0.1 . 1 . . . . . . . . 5846 1 95 . 1 1 9 9 LYS HG2 H 1 1.26 0.01 . 2 . . . . . . . . 5846 1 96 . 1 1 9 9 LYS HG3 H 1 1.79 0.01 . 2 . . . . . . . . 5846 1 97 . 1 1 9 9 LYS CD C 13 29.0 0.1 . 1 . . . . . . . . 5846 1 98 . 1 1 9 9 LYS HD2 H 1 1.64 0.01 . 1 . . . . . . . . 5846 1 99 . 1 1 9 9 LYS HD3 H 1 1.64 0.01 . 1 . . . . . . . . 5846 1 100 . 1 1 9 9 LYS CE C 13 41.9 0.1 . 1 . . . . . . . . 5846 1 101 . 1 1 9 9 LYS HE2 H 1 2.78 0.01 . 1 . . . . . . . . 5846 1 102 . 1 1 9 9 LYS HE3 H 1 2.78 0.01 . 1 . . . . . . . . 5846 1 103 . 1 1 9 9 LYS C C 13 178.2 0.1 . 1 . . . . . . . . 5846 1 104 . 1 1 10 10 ARG N N 15 121.2 0.1 . 1 . . . . . . . . 5846 1 105 . 1 1 10 10 ARG H H 1 8.13 0.01 . 1 . . . . . . . . 5846 1 106 . 1 1 10 10 ARG CA C 13 59.7 0.1 . 1 . . . . . . . . 5846 1 107 . 1 1 10 10 ARG HA H 1 3.96 0.01 . 1 . . . . . . . . 5846 1 108 . 1 1 10 10 ARG CB C 13 29.9 0.1 . 1 . . . . . . . . 5846 1 109 . 1 1 10 10 ARG HB2 H 1 1.99 0.01 . 1 . . . . . . . . 5846 1 110 . 1 1 10 10 ARG HB3 H 1 1.99 0.01 . 1 . . . . . . . . 5846 1 111 . 1 1 10 10 ARG CG C 13 27.8 0.1 . 1 . . . . . . . . 5846 1 112 . 1 1 10 10 ARG HG2 H 1 1.59 0.01 . 2 . . . . . . . . 5846 1 113 . 1 1 10 10 ARG HG3 H 1 1.82 0.01 . 2 . . . . . . . . 5846 1 114 . 1 1 10 10 ARG CD C 13 43.7 0.1 . 1 . . . . . . . . 5846 1 115 . 1 1 10 10 ARG HD2 H 1 3.18 0.01 . 2 . . . . . . . . 5846 1 116 . 1 1 10 10 ARG HD3 H 1 3.24 0.01 . 2 . . . . . . . . 5846 1 117 . 1 1 10 10 ARG C C 13 178.4 0.1 . 1 . . . . . . . . 5846 1 118 . 1 1 11 11 LYS N N 15 120.6 0.1 . 1 . . . . . . . . 5846 1 119 . 1 1 11 11 LYS H H 1 7.79 0.01 . 1 . . . . . . . . 5846 1 120 . 1 1 11 11 LYS CA C 13 59.5 0.1 . 1 . . . . . . . . 5846 1 121 . 1 1 11 11 LYS HA H 1 4.12 0.01 . 1 . . . . . . . . 5846 1 122 . 1 1 11 11 LYS CB C 13 32.0 0.1 . 1 . . . . . . . . 5846 1 123 . 1 1 11 11 LYS HB2 H 1 2.04 0.01 . 2 . . . . . . . . 5846 1 124 . 1 1 11 11 LYS HB3 H 1 1.98 0.01 . 2 . . . . . . . . 5846 1 125 . 1 1 11 11 LYS CG C 13 25.3 0.1 . 1 . . . . . . . . 5846 1 126 . 1 1 11 11 LYS HG2 H 1 1.40 0.01 . 2 . . . . . . . . 5846 1 127 . 1 1 11 11 LYS HG3 H 1 1.61 0.01 . 2 . . . . . . . . 5846 1 128 . 1 1 11 11 LYS CD C 13 29.4 0.1 . 1 . . . . . . . . 5846 1 129 . 1 1 11 11 LYS HD2 H 1 1.70 0.01 . 1 . . . . . . . . 5846 1 130 . 1 1 11 11 LYS HD3 H 1 1.70 0.01 . 1 . . . . . . . . 5846 1 131 . 1 1 11 11 LYS CE C 13 42.0 0.1 . 1 . . . . . . . . 5846 1 132 . 1 1 11 11 LYS HE2 H 1 2.93 0.01 . 1 . . . . . . . . 5846 1 133 . 1 1 11 11 LYS HE3 H 1 2.93 0.01 . 1 . . . . . . . . 5846 1 134 . 1 1 11 11 LYS C C 13 179.0 0.1 . 1 . . . . . . . . 5846 1 135 . 1 1 12 12 ILE N N 15 120.0 0.1 . 1 . . . . . . . . 5846 1 136 . 1 1 12 12 ILE H H 1 7.67 0.01 . 1 . . . . . . . . 5846 1 137 . 1 1 12 12 ILE CA C 13 64.3 0.1 . 1 . . . . . . . . 5846 1 138 . 1 1 12 12 ILE HA H 1 3.81 0.01 . 1 . . . . . . . . 5846 1 139 . 1 1 12 12 ILE CB C 13 37.9 0.1 . 1 . . . . . . . . 5846 1 140 . 1 1 12 12 ILE HB H 1 2.10 0.01 . 1 . . . . . . . . 5846 1 141 . 1 1 12 12 ILE HG21 H 1 0.91 0.01 . 1 . . . . . . . . 5846 1 142 . 1 1 12 12 ILE HG22 H 1 0.91 0.01 . 1 . . . . . . . . 5846 1 143 . 1 1 12 12 ILE HG23 H 1 0.91 0.01 . 1 . . . . . . . . 5846 1 144 . 1 1 12 12 ILE CG2 C 13 18.1 0.1 . 1 . . . . . . . . 5846 1 145 . 1 1 12 12 ILE CG1 C 13 29.0 0.1 . 1 . . . . . . . . 5846 1 146 . 1 1 12 12 ILE HG12 H 1 1.93 0.01 . 2 . . . . . . . . 5846 1 147 . 1 1 12 12 ILE HG13 H 1 1.11 0.01 . 2 . . . . . . . . 5846 1 148 . 1 1 12 12 ILE HD11 H 1 0.96 0.01 . 1 . . . . . . . . 5846 1 149 . 1 1 12 12 ILE HD12 H 1 0.96 0.01 . 1 . . . . . . . . 5846 1 150 . 1 1 12 12 ILE HD13 H 1 0.96 0.01 . 1 . . . . . . . . 5846 1 151 . 1 1 12 12 ILE CD1 C 13 14.3 0.1 . 1 . . . . . . . . 5846 1 152 . 1 1 12 12 ILE C C 13 177.5 0.1 . 1 . . . . . . . . 5846 1 153 . 1 1 13 13 ARG N N 15 118.2 0.1 . 1 . . . . . . . . 5846 1 154 . 1 1 13 13 ARG H H 1 8.04 0.01 . 1 . . . . . . . . 5846 1 155 . 1 1 13 13 ARG CA C 13 59.7 0.1 . 1 . . . . . . . . 5846 1 156 . 1 1 13 13 ARG HA H 1 3.59 0.01 . 1 . . . . . . . . 5846 1 157 . 1 1 13 13 ARG CB C 13 29.4 0.1 . 1 . . . . . . . . 5846 1 158 . 1 1 13 13 ARG HB2 H 1 1.69 0.01 . 1 . . . . . . . . 5846 1 159 . 1 1 13 13 ARG HB3 H 1 1.69 0.01 . 1 . . . . . . . . 5846 1 160 . 1 1 13 13 ARG CG C 13 27.8 0.1 . 1 . . . . . . . . 5846 1 161 . 1 1 13 13 ARG HG2 H 1 1.07 0.01 . 2 . . . . . . . . 5846 1 162 . 1 1 13 13 ARG HG3 H 1 1.42 0.01 . 2 . . . . . . . . 5846 1 163 . 1 1 13 13 ARG CD C 13 43.0 0.1 . 1 . . . . . . . . 5846 1 164 . 1 1 13 13 ARG HD2 H 1 2.97 0.01 . 2 . . . . . . . . 5846 1 165 . 1 1 13 13 ARG HD3 H 1 3.06 0.01 . 2 . . . . . . . . 5846 1 166 . 1 1 13 13 ARG C C 13 180.2 0.1 . 1 . . . . . . . . 5846 1 167 . 1 1 14 14 PHE N N 15 121.0 0.1 . 1 . . . . . . . . 5846 1 168 . 1 1 14 14 PHE H H 1 8.11 0.01 . 1 . . . . . . . . 5846 1 169 . 1 1 14 14 PHE CA C 13 60.2 0.1 . 1 . . . . . . . . 5846 1 170 . 1 1 14 14 PHE HA H 1 4.35 0.01 . 1 . . . . . . . . 5846 1 171 . 1 1 14 14 PHE CB C 13 38.5 0.1 . 1 . . . . . . . . 5846 1 172 . 1 1 14 14 PHE HB2 H 1 3.24 0.01 . 2 . . . . . . . . 5846 1 173 . 1 1 14 14 PHE HB3 H 1 3.31 0.01 . 2 . . . . . . . . 5846 1 174 . 1 1 14 14 PHE HD1 H 1 7.27 0.01 . 1 . . . . . . . . 5846 1 175 . 1 1 14 14 PHE HD2 H 1 7.27 0.01 . 1 . . . . . . . . 5846 1 176 . 1 1 14 14 PHE HE1 H 1 7.35 0.01 . 1 . . . . . . . . 5846 1 177 . 1 1 14 14 PHE HE2 H 1 7.35 0.01 . 1 . . . . . . . . 5846 1 178 . 1 1 14 14 PHE CD1 C 13 131.4 0.1 . 1 . . . . . . . . 5846 1 179 . 1 1 14 14 PHE CE1 C 13 131.2 0.1 . 1 . . . . . . . . 5846 1 180 . 1 1 14 14 PHE CZ C 13 129.6 0.1 . 1 . . . . . . . . 5846 1 181 . 1 1 14 14 PHE HZ H 1 7.30 0.01 . 1 . . . . . . . . 5846 1 182 . 1 1 14 14 PHE C C 13 177.9 0.1 . 1 . . . . . . . . 5846 1 183 . 1 1 15 15 GLN N N 15 119.1 0.1 . 1 . . . . . . . . 5846 1 184 . 1 1 15 15 GLN H H 1 7.93 0.01 . 1 . . . . . . . . 5846 1 185 . 1 1 15 15 GLN CA C 13 57.4 0.1 . 1 . . . . . . . . 5846 1 186 . 1 1 15 15 GLN HA H 1 4.18 0.01 . 1 . . . . . . . . 5846 1 187 . 1 1 15 15 GLN CB C 13 30.2 0.1 . 1 . . . . . . . . 5846 1 188 . 1 1 15 15 GLN HB2 H 1 2.05 0.01 . 2 . . . . . . . . 5846 1 189 . 1 1 15 15 GLN HB3 H 1 2.26 0.01 . 2 . . . . . . . . 5846 1 190 . 1 1 15 15 GLN CG C 13 34.8 0.1 . 1 . . . . . . . . 5846 1 191 . 1 1 15 15 GLN HG2 H 1 2.41 0.01 . 2 . . . . . . . . 5846 1 192 . 1 1 15 15 GLN HG3 H 1 2.61 0.01 . 2 . . . . . . . . 5846 1 193 . 1 1 15 15 GLN NE2 N 15 110.7 0.1 . 1 . . . . . . . . 5846 1 194 . 1 1 15 15 GLN HE21 H 1 7.33 0.01 . 2 . . . . . . . . 5846 1 195 . 1 1 15 15 GLN HE22 H 1 6.76 0.01 . 2 . . . . . . . . 5846 1 196 . 1 1 15 15 GLN C C 13 175.9 0.1 . 1 . . . . . . . . 5846 1 197 . 1 1 16 16 THR N N 15 109.0 0.1 . 1 . . . . . . . . 5846 1 198 . 1 1 16 16 THR H H 1 7.51 0.01 . 1 . . . . . . . . 5846 1 199 . 1 1 16 16 THR CA C 13 62.9 0.1 . 1 . . . . . . . . 5846 1 200 . 1 1 16 16 THR HA H 1 3.73 0.01 . 1 . . . . . . . . 5846 1 201 . 1 1 16 16 THR CB C 13 69.8 0.1 . 1 . . . . . . . . 5846 1 202 . 1 1 16 16 THR HB H 1 4.23 0.01 . 1 . . . . . . . . 5846 1 203 . 1 1 16 16 THR HG21 H 1 1.24 0.01 . 1 . . . . . . . . 5846 1 204 . 1 1 16 16 THR HG22 H 1 1.24 0.01 . 1 . . . . . . . . 5846 1 205 . 1 1 16 16 THR HG23 H 1 1.24 0.01 . 1 . . . . . . . . 5846 1 206 . 1 1 16 16 THR HG1 H 1 5.60 0.01 . 1 . . . . . . . . 5846 1 207 . 1 1 16 16 THR CG2 C 13 22.2 0.1 . 1 . . . . . . . . 5846 1 208 . 1 1 16 16 THR C C 13 173.3 0.1 . 1 . . . . . . . . 5846 1 209 . 1 1 17 17 ARG N N 15 121.3 0.1 . 1 . . . . . . . . 5846 1 210 . 1 1 17 17 ARG H H 1 7.08 0.01 . 1 . . . . . . . . 5846 1 211 . 1 1 17 17 ARG CA C 13 54.0 0.1 . 1 . . . . . . . . 5846 1 212 . 1 1 17 17 ARG HA H 1 4.77 0.01 . 1 . . . . . . . . 5846 1 213 . 1 1 17 17 ARG CB C 13 30.8 0.1 . 1 . . . . . . . . 5846 1 214 . 1 1 17 17 ARG HB2 H 1 2.09 0.01 . 2 . . . . . . . . 5846 1 215 . 1 1 17 17 ARG HB3 H 1 2.34 0.01 . 2 . . . . . . . . 5846 1 216 . 1 1 17 17 ARG CG C 13 27.3 0.1 . 1 . . . . . . . . 5846 1 217 . 1 1 17 17 ARG HG2 H 1 1.51 0.01 . 2 . . . . . . . . 5846 1 218 . 1 1 17 17 ARG HG3 H 1 1.62 0.01 . 2 . . . . . . . . 5846 1 219 . 1 1 17 17 ARG CD C 13 43.4 0.1 . 1 . . . . . . . . 5846 1 220 . 1 1 17 17 ARG HD2 H 1 2.99 0.01 . 2 . . . . . . . . 5846 1 221 . 1 1 17 17 ARG HD3 H 1 3.08 0.01 . 2 . . . . . . . . 5846 1 222 . 1 1 17 17 ARG C C 13 175.9 0.1 . 1 . . . . . . . . 5846 1 223 . 1 1 18 18 ARG N N 15 124.9 0.1 . 1 . . . . . . . . 5846 1 224 . 1 1 18 18 ARG H H 1 9.39 0.01 . 1 . . . . . . . . 5846 1 225 . 1 1 18 18 ARG CA C 13 51.4 0.1 . 1 . . . . . . . . 5846 1 226 . 1 1 18 18 ARG HA H 1 4.93 0.01 . 1 . . . . . . . . 5846 1 227 . 1 1 18 18 ARG CB C 13 29.8 0.1 . 1 . . . . . . . . 5846 1 228 . 1 1 18 18 ARG HB2 H 1 1.60 0.01 . 2 . . . . . . . . 5846 1 229 . 1 1 18 18 ARG HB3 H 1 1.65 0.01 . 2 . . . . . . . . 5846 1 230 . 1 1 18 18 ARG CG C 13 27.3 0.1 . 1 . . . . . . . . 5846 1 231 . 1 1 18 18 ARG HG2 H 1 1.51 0.01 . 2 . . . . . . . . 5846 1 232 . 1 1 18 18 ARG HG3 H 1 1.60 0.01 . 2 . . . . . . . . 5846 1 233 . 1 1 18 18 ARG CD C 13 43.4 0.1 . 1 . . . . . . . . 5846 1 234 . 1 1 18 18 ARG HD2 H 1 2.99 0.01 . 2 . . . . . . . . 5846 1 235 . 1 1 18 18 ARG HD3 H 1 3.08 0.01 . 2 . . . . . . . . 5846 1 236 . 1 1 18 18 ARG C C 13 176.2 0.1 . 1 . . . . . . . . 5846 1 237 . 1 1 19 19 GLY N N 15 110.4 0.1 . 1 . . . . . . . . 5846 1 238 . 1 1 19 19 GLY H H 1 9.02 0.01 . 1 . . . . . . . . 5846 1 239 . 1 1 19 19 GLY CA C 13 45.8 0.1 . 1 . . . . . . . . 5846 1 240 . 1 1 19 19 GLY HA2 H 1 3.79 0.01 . 2 . . . . . . . . 5846 1 241 . 1 1 19 19 GLY HA3 H 1 4.00 0.01 . 2 . . . . . . . . 5846 1 242 . 1 1 19 19 GLY C C 13 174.0 0.1 . 1 . . . . . . . . 5846 1 243 . 1 1 20 20 LEU N N 15 121.1 0.1 . 1 . . . . . . . . 5846 1 244 . 1 1 20 20 LEU H H 1 7.09 0.01 . 1 . . . . . . . . 5846 1 245 . 1 1 20 20 LEU CA C 13 53.5 0.1 . 1 . . . . . . . . 5846 1 246 . 1 1 20 20 LEU HA H 1 4.64 0.01 . 1 . . . . . . . . 5846 1 247 . 1 1 20 20 LEU CB C 13 43.2 0.1 . 1 . . . . . . . . 5846 1 248 . 1 1 20 20 LEU HB2 H 1 1.56 0.01 . 2 . . . . . . . . 5846 1 249 . 1 1 20 20 LEU HB3 H 1 1.73 0.01 . 2 . . . . . . . . 5846 1 250 . 1 1 20 20 LEU CG C 13 27.3 0.1 . 1 . . . . . . . . 5846 1 251 . 1 1 20 20 LEU HG H 1 1.67 0.01 . 1 . . . . . . . . 5846 1 252 . 1 1 20 20 LEU HD11 H 1 1.01 0.01 . 2 . . . . . . . . 5846 1 253 . 1 1 20 20 LEU HD12 H 1 1.01 0.01 . 2 . . . . . . . . 5846 1 254 . 1 1 20 20 LEU HD13 H 1 1.01 0.01 . 2 . . . . . . . . 5846 1 255 . 1 1 20 20 LEU HD21 H 1 0.96 0.01 . 2 . . . . . . . . 5846 1 256 . 1 1 20 20 LEU HD22 H 1 0.96 0.01 . 2 . . . . . . . . 5846 1 257 . 1 1 20 20 LEU HD23 H 1 0.96 0.01 . 2 . . . . . . . . 5846 1 258 . 1 1 20 20 LEU CD1 C 13 24.5 0.1 . 1 . . . . . . . . 5846 1 259 . 1 1 20 20 LEU CD2 C 13 25.4 0.1 . 1 . . . . . . . . 5846 1 260 . 1 1 20 20 LEU C C 13 176.5 0.1 . 1 . . . . . . . . 5846 1 261 . 1 1 21 21 LEU N N 15 132.7 0.1 . 1 . . . . . . . . 5846 1 262 . 1 1 21 21 LEU H H 1 8.85 0.01 . 1 . . . . . . . . 5846 1 263 . 1 1 21 21 LEU CA C 13 58.6 0.1 . 1 . . . . . . . . 5846 1 264 . 1 1 21 21 LEU HA H 1 4.13 0.01 . 1 . . . . . . . . 5846 1 265 . 1 1 21 21 LEU CB C 13 41.5 0.1 . 1 . . . . . . . . 5846 1 266 . 1 1 21 21 LEU HB2 H 1 1.74 0.01 . 1 . . . . . . . . 5846 1 267 . 1 1 21 21 LEU HB3 H 1 1.74 0.01 . 1 . . . . . . . . 5846 1 268 . 1 1 21 21 LEU CG C 13 27.0 0.1 . 1 . . . . . . . . 5846 1 269 . 1 1 21 21 LEU HG H 1 1.63 0.01 . 1 . . . . . . . . 5846 1 270 . 1 1 21 21 LEU HD11 H 1 1.00 0.01 . 2 . . . . . . . . 5846 1 271 . 1 1 21 21 LEU HD12 H 1 1.00 0.01 . 2 . . . . . . . . 5846 1 272 . 1 1 21 21 LEU HD13 H 1 1.00 0.01 . 2 . . . . . . . . 5846 1 273 . 1 1 21 21 LEU HD21 H 1 0.96 0.01 . 2 . . . . . . . . 5846 1 274 . 1 1 21 21 LEU HD22 H 1 0.96 0.01 . 2 . . . . . . . . 5846 1 275 . 1 1 21 21 LEU HD23 H 1 0.96 0.01 . 2 . . . . . . . . 5846 1 276 . 1 1 21 21 LEU CD1 C 13 23.5 0.1 . 1 . . . . . . . . 5846 1 277 . 1 1 21 21 LEU CD2 C 13 25.0 0.1 . 1 . . . . . . . . 5846 1 278 . 1 1 21 21 LEU C C 13 178.0 0.1 . 1 . . . . . . . . 5846 1 279 . 1 1 22 22 GLU N N 15 117.0 0.1 . 1 . . . . . . . . 5846 1 280 . 1 1 22 22 GLU H H 1 9.15 0.01 . 1 . . . . . . . . 5846 1 281 . 1 1 22 22 GLU CA C 13 60.1 0.1 . 1 . . . . . . . . 5846 1 282 . 1 1 22 22 GLU HA H 1 3.91 0.01 . 1 . . . . . . . . 5846 1 283 . 1 1 22 22 GLU CB C 13 30.0 0.1 . 1 . . . . . . . . 5846 1 284 . 1 1 22 22 GLU HB2 H 1 1.72 0.01 . 2 . . . . . . . . 5846 1 285 . 1 1 22 22 GLU HB3 H 1 2.04 0.01 . 2 . . . . . . . . 5846 1 286 . 1 1 22 22 GLU CG C 13 36.0 0.1 . 1 . . . . . . . . 5846 1 287 . 1 1 22 22 GLU HG2 H 1 2.33 0.01 . 2 . . . . . . . . 5846 1 288 . 1 1 22 22 GLU HG3 H 1 2.21 0.01 . 2 . . . . . . . . 5846 1 289 . 1 1 22 22 GLU C C 13 179.0 0.1 . 1 . . . . . . . . 5846 1 290 . 1 1 23 23 LEU N N 15 115.8 0.1 . 1 . . . . . . . . 5846 1 291 . 1 1 23 23 LEU H H 1 6.80 0.01 . 1 . . . . . . . . 5846 1 292 . 1 1 23 23 LEU CA C 13 56.1 0.1 . 1 . . . . . . . . 5846 1 293 . 1 1 23 23 LEU HA H 1 4.05 0.01 . 1 . . . . . . . . 5846 1 294 . 1 1 23 23 LEU CB C 13 43.3 0.1 . 1 . . . . . . . . 5846 1 295 . 1 1 23 23 LEU HB2 H 1 1.46 0.01 . 2 . . . . . . . . 5846 1 296 . 1 1 23 23 LEU HB3 H 1 1.80 0.01 . 2 . . . . . . . . 5846 1 297 . 1 1 23 23 LEU CG C 13 26.6 0.1 . 1 . . . . . . . . 5846 1 298 . 1 1 23 23 LEU HG H 1 1.52 0.01 . 1 . . . . . . . . 5846 1 299 . 1 1 23 23 LEU HD11 H 1 0.70 0.01 . 2 . . . . . . . . 5846 1 300 . 1 1 23 23 LEU HD12 H 1 0.70 0.01 . 2 . . . . . . . . 5846 1 301 . 1 1 23 23 LEU HD13 H 1 0.70 0.01 . 2 . . . . . . . . 5846 1 302 . 1 1 23 23 LEU HD21 H 1 0.97 0.01 . 2 . . . . . . . . 5846 1 303 . 1 1 23 23 LEU HD22 H 1 0.97 0.01 . 2 . . . . . . . . 5846 1 304 . 1 1 23 23 LEU HD23 H 1 0.97 0.01 . 2 . . . . . . . . 5846 1 305 . 1 1 23 23 LEU CD1 C 13 24.2 0.1 . 1 . . . . . . . . 5846 1 306 . 1 1 23 23 LEU CD2 C 13 26.2 0.1 . 1 . . . . . . . . 5846 1 307 . 1 1 23 23 LEU C C 13 176.9 0.1 . 1 . . . . . . . . 5846 1 308 . 1 1 24 24 ASP N N 15 122.2 0.1 . 1 . . . . . . . . 5846 1 309 . 1 1 24 24 ASP H H 1 8.26 0.01 . 1 . . . . . . . . 5846 1 310 . 1 1 24 24 ASP CA C 13 58.5 0.1 . 1 . . . . . . . . 5846 1 311 . 1 1 24 24 ASP HA H 1 4.50 0.01 . 1 . . . . . . . . 5846 1 312 . 1 1 24 24 ASP CB C 13 42.5 0.1 . 1 . . . . . . . . 5846 1 313 . 1 1 24 24 ASP HB2 H 1 2.87 0.01 . 1 . . . . . . . . 5846 1 314 . 1 1 24 24 ASP HB3 H 1 2.87 0.01 . 1 . . . . . . . . 5846 1 315 . 1 1 24 24 ASP C C 13 180.0 0.1 . 1 . . . . . . . . 5846 1 316 . 1 1 25 25 LEU N N 15 119.0 0.1 . 1 . . . . . . . . 5846 1 317 . 1 1 25 25 LEU H H 1 8.45 0.01 . 1 . . . . . . . . 5846 1 318 . 1 1 25 25 LEU CA C 13 57.7 0.1 . 1 . . . . . . . . 5846 1 319 . 1 1 25 25 LEU HA H 1 4.20 0.01 . 1 . . . . . . . . 5846 1 320 . 1 1 25 25 LEU CB C 13 41.9 0.1 . 1 . . . . . . . . 5846 1 321 . 1 1 25 25 LEU HB2 H 1 1.88 0.01 . 2 . . . . . . . . 5846 1 322 . 1 1 25 25 LEU HB3 H 1 1.51 0.01 . 2 . . . . . . . . 5846 1 323 . 1 1 25 25 LEU CG C 13 26.7 0.1 . 1 . . . . . . . . 5846 1 324 . 1 1 25 25 LEU HG H 1 1.86 0.01 . 1 . . . . . . . . 5846 1 325 . 1 1 25 25 LEU HD11 H 1 0.91 0.01 . 1 . . . . . . . . 5846 1 326 . 1 1 25 25 LEU HD12 H 1 0.91 0.01 . 1 . . . . . . . . 5846 1 327 . 1 1 25 25 LEU HD13 H 1 0.91 0.01 . 1 . . . . . . . . 5846 1 328 . 1 1 25 25 LEU HD21 H 1 0.91 0.01 . 1 . . . . . . . . 5846 1 329 . 1 1 25 25 LEU HD22 H 1 0.91 0.01 . 1 . . . . . . . . 5846 1 330 . 1 1 25 25 LEU HD23 H 1 0.91 0.01 . 1 . . . . . . . . 5846 1 331 . 1 1 25 25 LEU CD1 C 13 25.4 0.1 . 1 . . . . . . . . 5846 1 332 . 1 1 25 25 LEU CD2 C 13 22.7 0.1 . 1 . . . . . . . . 5846 1 333 . 1 1 25 25 LEU C C 13 180.3 0.1 . 1 . . . . . . . . 5846 1 334 . 1 1 26 26 ILE N N 15 121.7 0.1 . 1 . . . . . . . . 5846 1 335 . 1 1 26 26 ILE H H 1 7.40 0.01 . 1 . . . . . . . . 5846 1 336 . 1 1 26 26 ILE CA C 13 65.5 0.1 . 1 . . . . . . . . 5846 1 337 . 1 1 26 26 ILE HA H 1 3.62 0.01 . 1 . . . . . . . . 5846 1 338 . 1 1 26 26 ILE CB C 13 38.0 0.1 . 1 . . . . . . . . 5846 1 339 . 1 1 26 26 ILE HB H 1 1.74 0.01 . 1 . . . . . . . . 5846 1 340 . 1 1 26 26 ILE HG21 H 1 0.53 0.01 . 1 . . . . . . . . 5846 1 341 . 1 1 26 26 ILE HG22 H 1 0.53 0.01 . 1 . . . . . . . . 5846 1 342 . 1 1 26 26 ILE HG23 H 1 0.53 0.01 . 1 . . . . . . . . 5846 1 343 . 1 1 26 26 ILE CG2 C 13 16.2 0.1 . 1 . . . . . . . . 5846 1 344 . 1 1 26 26 ILE CG1 C 13 29.2 0.1 . 1 . . . . . . . . 5846 1 345 . 1 1 26 26 ILE HG12 H 1 1.88 0.01 . 2 . . . . . . . . 5846 1 346 . 1 1 26 26 ILE HG13 H 1 0.97 0.01 . 2 . . . . . . . . 5846 1 347 . 1 1 26 26 ILE HD11 H 1 0.72 0.01 . 1 . . . . . . . . 5846 1 348 . 1 1 26 26 ILE HD12 H 1 0.72 0.01 . 1 . . . . . . . . 5846 1 349 . 1 1 26 26 ILE HD13 H 1 0.72 0.01 . 1 . . . . . . . . 5846 1 350 . 1 1 26 26 ILE CD1 C 13 14.1 0.1 . 1 . . . . . . . . 5846 1 351 . 1 1 26 26 ILE C C 13 178.4 0.1 . 1 . . . . . . . . 5846 1 352 . 1 1 27 27 PHE N N 15 117.2 0.1 . 1 . . . . . . . . 5846 1 353 . 1 1 27 27 PHE H H 1 8.49 0.01 . 1 . . . . . . . . 5846 1 354 . 1 1 27 27 PHE CA C 13 60.8 0.1 . 1 . . . . . . . . 5846 1 355 . 1 1 27 27 PHE HA H 1 4.71 0.01 . 1 . . . . . . . . 5846 1 356 . 1 1 27 27 PHE CB C 13 37.8 0.1 . 1 . . . . . . . . 5846 1 357 . 1 1 27 27 PHE HB2 H 1 3.29 0.01 . 2 . . . . . . . . 5846 1 358 . 1 1 27 27 PHE HB3 H 1 3.42 0.01 . 2 . . . . . . . . 5846 1 359 . 1 1 27 27 PHE HD1 H 1 7.32 0.01 . 1 . . . . . . . . 5846 1 360 . 1 1 27 27 PHE HD2 H 1 7.32 0.01 . 1 . . . . . . . . 5846 1 361 . 1 1 27 27 PHE HE1 H 1 7.01 0.01 . 1 . . . . . . . . 5846 1 362 . 1 1 27 27 PHE HE2 H 1 7.01 0.01 . 1 . . . . . . . . 5846 1 363 . 1 1 27 27 PHE CD1 C 13 129.9 0.1 . 1 . . . . . . . . 5846 1 364 . 1 1 27 27 PHE CE1 C 13 130.1 0.1 . 1 . . . . . . . . 5846 1 365 . 1 1 27 27 PHE CZ C 13 129.2 0.1 . 1 . . . . . . . . 5846 1 366 . 1 1 27 27 PHE HZ H 1 6.97 0.01 . 1 . . . . . . . . 5846 1 367 . 1 1 27 27 PHE C C 13 178.2 0.1 . 1 . . . . . . . . 5846 1 368 . 1 1 28 28 GLY N N 15 109.9 0.1 . 1 . . . . . . . . 5846 1 369 . 1 1 28 28 GLY H H 1 8.66 0.01 . 1 . . . . . . . . 5846 1 370 . 1 1 28 28 GLY CA C 13 47.6 0.1 . 1 . . . . . . . . 5846 1 371 . 1 1 28 28 GLY HA2 H 1 3.88 0.01 . 2 . . . . . . . . 5846 1 372 . 1 1 28 28 GLY HA3 H 1 4.06 0.01 . 2 . . . . . . . . 5846 1 373 . 1 1 28 28 GLY C C 13 176.6 0.1 . 1 . . . . . . . . 5846 1 374 . 1 1 29 29 ARG N N 15 121.8 0.1 . 1 . . . . . . . . 5846 1 375 . 1 1 29 29 ARG H H 1 7.58 0.01 . 1 . . . . . . . . 5846 1 376 . 1 1 29 29 ARG CA C 13 58.7 0.1 . 1 . . . . . . . . 5846 1 377 . 1 1 29 29 ARG HA H 1 4.29 0.01 . 1 . . . . . . . . 5846 1 378 . 1 1 29 29 ARG CB C 13 30.1 0.1 . 1 . . . . . . . . 5846 1 379 . 1 1 29 29 ARG HB2 H 1 1.96 0.01 . 2 . . . . . . . . 5846 1 380 . 1 1 29 29 ARG HB3 H 1 2.06 0.01 . 2 . . . . . . . . 5846 1 381 . 1 1 29 29 ARG CG C 13 27.4 0.1 . 1 . . . . . . . . 5846 1 382 . 1 1 29 29 ARG HG2 H 1 1.71 0.01 . 2 . . . . . . . . 5846 1 383 . 1 1 29 29 ARG HG3 H 1 1.81 0.01 . 2 . . . . . . . . 5846 1 384 . 1 1 29 29 ARG CD C 13 43.4 0.1 . 1 . . . . . . . . 5846 1 385 . 1 1 29 29 ARG HD2 H 1 3.22 0.01 . 1 . . . . . . . . 5846 1 386 . 1 1 29 29 ARG HD3 H 1 3.22 0.01 . 1 . . . . . . . . 5846 1 387 . 1 1 29 29 ARG C C 13 178.7 0.1 . 1 . . . . . . . . 5846 1 388 . 1 1 30 30 PHE N N 15 120.6 0.1 . 1 . . . . . . . . 5846 1 389 . 1 1 30 30 PHE H H 1 8.39 0.01 . 1 . . . . . . . . 5846 1 390 . 1 1 30 30 PHE CA C 13 61.9 0.1 . 1 . . . . . . . . 5846 1 391 . 1 1 30 30 PHE HA H 1 4.08 0.01 . 1 . . . . . . . . 5846 1 392 . 1 1 30 30 PHE CB C 13 40.0 0.1 . 1 . . . . . . . . 5846 1 393 . 1 1 30 30 PHE HB2 H 1 3.30 0.01 . 1 . . . . . . . . 5846 1 394 . 1 1 30 30 PHE HB3 H 1 3.30 0.01 . 1 . . . . . . . . 5846 1 395 . 1 1 30 30 PHE HD1 H 1 7.07 0.01 . 1 . . . . . . . . 5846 1 396 . 1 1 30 30 PHE HD2 H 1 7.07 0.01 . 1 . . . . . . . . 5846 1 397 . 1 1 30 30 PHE HE1 H 1 6.57 0.01 . 1 . . . . . . . . 5846 1 398 . 1 1 30 30 PHE HE2 H 1 6.57 0.01 . 1 . . . . . . . . 5846 1 399 . 1 1 30 30 PHE CD1 C 13 131.3 0.1 . 1 . . . . . . . . 5846 1 400 . 1 1 30 30 PHE CE1 C 13 131.1 0.1 . 1 . . . . . . . . 5846 1 401 . 1 1 30 30 PHE CZ C 13 129.0 0.1 . 1 . . . . . . . . 5846 1 402 . 1 1 30 30 PHE HZ H 1 6.72 0.01 . 1 . . . . . . . . 5846 1 403 . 1 1 30 30 PHE C C 13 176.9 0.1 . 1 . . . . . . . . 5846 1 404 . 1 1 31 31 MET N N 15 117.6 0.1 . 1 . . . . . . . . 5846 1 405 . 1 1 31 31 MET H H 1 9.35 0.01 . 1 . . . . . . . . 5846 1 406 . 1 1 31 31 MET CA C 13 56.8 0.1 . 1 . . . . . . . . 5846 1 407 . 1 1 31 31 MET HA H 1 4.23 0.01 . 1 . . . . . . . . 5846 1 408 . 1 1 31 31 MET CB C 13 30.9 0.1 . 1 . . . . . . . . 5846 1 409 . 1 1 31 31 MET HB2 H 1 1.84 0.01 . 2 . . . . . . . . 5846 1 410 . 1 1 31 31 MET HB3 H 1 2.37 0.01 . 2 . . . . . . . . 5846 1 411 . 1 1 31 31 MET CG C 13 31.0 0.1 . 1 . . . . . . . . 5846 1 412 . 1 1 31 31 MET HG2 H 1 2.38 0.01 . 1 . . . . . . . . 5846 1 413 . 1 1 31 31 MET HG3 H 1 2.38 0.01 . 1 . . . . . . . . 5846 1 414 . 1 1 31 31 MET C C 13 179.0 0.1 . 1 . . . . . . . . 5846 1 415 . 1 1 32 32 GLU N N 15 119.4 0.1 . 1 . . . . . . . . 5846 1 416 . 1 1 32 32 GLU H H 1 7.58 0.01 . 1 . . . . . . . . 5846 1 417 . 1 1 32 32 GLU CA C 13 58.9 0.1 . 1 . . . . . . . . 5846 1 418 . 1 1 32 32 GLU HA H 1 4.06 0.01 . 1 . . . . . . . . 5846 1 419 . 1 1 32 32 GLU CB C 13 29.8 0.1 . 1 . . . . . . . . 5846 1 420 . 1 1 32 32 GLU HB2 H 1 2.21 0.01 . 2 . . . . . . . . 5846 1 421 . 1 1 32 32 GLU HB3 H 1 2.13 0.01 . 2 . . . . . . . . 5846 1 422 . 1 1 32 32 GLU CG C 13 36.0 0.1 . 1 . . . . . . . . 5846 1 423 . 1 1 32 32 GLU HG2 H 1 2.32 0.01 . 2 . . . . . . . . 5846 1 424 . 1 1 32 32 GLU HG3 H 1 2.41 0.01 . 2 . . . . . . . . 5846 1 425 . 1 1 32 32 GLU C C 13 177.3 0.1 . 1 . . . . . . . . 5846 1 426 . 1 1 33 33 LYS N N 15 115.4 0.1 . 1 . . . . . . . . 5846 1 427 . 1 1 33 33 LYS H H 1 7.36 0.01 . 1 . . . . . . . . 5846 1 428 . 1 1 33 33 LYS CA C 13 57.7 0.1 . 1 . . . . . . . . 5846 1 429 . 1 1 33 33 LYS HA H 1 4.35 0.01 . 1 . . . . . . . . 5846 1 430 . 1 1 33 33 LYS CB C 13 34.8 0.1 . 1 . . . . . . . . 5846 1 431 . 1 1 33 33 LYS HB2 H 1 1.83 0.01 . 1 . . . . . . . . 5846 1 432 . 1 1 33 33 LYS HB3 H 1 1.83 0.01 . 1 . . . . . . . . 5846 1 433 . 1 1 33 33 LYS CG C 13 24.9 0.1 . 1 . . . . . . . . 5846 1 434 . 1 1 33 33 LYS HG2 H 1 1.43 0.01 . 2 . . . . . . . . 5846 1 435 . 1 1 33 33 LYS HG3 H 1 1.53 0.01 . 2 . . . . . . . . 5846 1 436 . 1 1 33 33 LYS CD C 13 28.9 0.1 . 1 . . . . . . . . 5846 1 437 . 1 1 33 33 LYS HD2 H 1 1.70 0.01 . 1 . . . . . . . . 5846 1 438 . 1 1 33 33 LYS HD3 H 1 1.70 0.01 . 1 . . . . . . . . 5846 1 439 . 1 1 33 33 LYS CE C 13 42.0 0.1 . 1 . . . . . . . . 5846 1 440 . 1 1 33 33 LYS HE2 H 1 3.02 0.01 . 1 . . . . . . . . 5846 1 441 . 1 1 33 33 LYS HE3 H 1 3.02 0.01 . 1 . . . . . . . . 5846 1 442 . 1 1 33 33 LYS C C 13 177.9 0.1 . 1 . . . . . . . . 5846 1 443 . 1 1 34 34 GLU N N 15 113.6 0.1 . 1 . . . . . . . . 5846 1 444 . 1 1 34 34 GLU H H 1 8.07 0.01 . 1 . . . . . . . . 5846 1 445 . 1 1 34 34 GLU CA C 13 55.9 0.1 . 1 . . . . . . . . 5846 1 446 . 1 1 34 34 GLU HA H 1 4.55 0.01 . 1 . . . . . . . . 5846 1 447 . 1 1 34 34 GLU CB C 13 31.9 0.1 . 1 . . . . . . . . 5846 1 448 . 1 1 34 34 GLU HB2 H 1 0.53 0.01 . 2 . . . . . . . . 5846 1 449 . 1 1 34 34 GLU HB3 H 1 1.46 0.01 . 2 . . . . . . . . 5846 1 450 . 1 1 34 34 GLU CG C 13 34.8 0.1 . 1 . . . . . . . . 5846 1 451 . 1 1 34 34 GLU HG2 H 1 1.90 0.01 . 2 . . . . . . . . 5846 1 452 . 1 1 34 34 GLU HG3 H 1 2.03 0.01 . 2 . . . . . . . . 5846 1 453 . 1 1 34 34 GLU C C 13 178.7 0.1 . 1 . . . . . . . . 5846 1 454 . 1 1 35 35 PHE N N 15 119.8 0.1 . 1 . . . . . . . . 5846 1 455 . 1 1 35 35 PHE H H 1 7.48 0.01 . 1 . . . . . . . . 5846 1 456 . 1 1 35 35 PHE CA C 13 62.5 0.1 . 1 . . . . . . . . 5846 1 457 . 1 1 35 35 PHE HA H 1 3.73 0.01 . 1 . . . . . . . . 5846 1 458 . 1 1 35 35 PHE CB C 13 40.7 0.1 . 1 . . . . . . . . 5846 1 459 . 1 1 35 35 PHE HB2 H 1 2.98 0.01 . 2 . . . . . . . . 5846 1 460 . 1 1 35 35 PHE HB3 H 1 3.60 0.01 . 2 . . . . . . . . 5846 1 461 . 1 1 35 35 PHE HD1 H 1 7.03 0.01 . 1 . . . . . . . . 5846 1 462 . 1 1 35 35 PHE HD2 H 1 7.03 0.01 . 1 . . . . . . . . 5846 1 463 . 1 1 35 35 PHE HE1 H 1 7.00 0.01 . 1 . . . . . . . . 5846 1 464 . 1 1 35 35 PHE HE2 H 1 7.00 0.01 . 1 . . . . . . . . 5846 1 465 . 1 1 35 35 PHE CD1 C 13 132.0 0.1 . 1 . . . . . . . . 5846 1 466 . 1 1 35 35 PHE CE1 C 13 131.2 0.1 . 1 . . . . . . . . 5846 1 467 . 1 1 35 35 PHE CZ C 13 128.9 0.1 . 1 . . . . . . . . 5846 1 468 . 1 1 35 35 PHE HZ H 1 6.96 0.01 . 1 . . . . . . . . 5846 1 469 . 1 1 35 35 PHE C C 13 176.9 0.1 . 1 . . . . . . . . 5846 1 470 . 1 1 36 36 GLU N N 15 113.9 0.1 . 1 . . . . . . . . 5846 1 471 . 1 1 36 36 GLU H H 1 8.56 0.01 . 1 . . . . . . . . 5846 1 472 . 1 1 36 36 GLU CA C 13 57.5 0.1 . 1 . . . . . . . . 5846 1 473 . 1 1 36 36 GLU HA H 1 3.83 0.01 . 1 . . . . . . . . 5846 1 474 . 1 1 36 36 GLU CB C 13 28.8 0.1 . 1 . . . . . . . . 5846 1 475 . 1 1 36 36 GLU HB2 H 1 1.64 0.01 . 2 . . . . . . . . 5846 1 476 . 1 1 36 36 GLU HB3 H 1 1.81 0.01 . 2 . . . . . . . . 5846 1 477 . 1 1 36 36 GLU CG C 13 35.9 0.1 . 1 . . . . . . . . 5846 1 478 . 1 1 36 36 GLU HG2 H 1 2.09 0.01 . 1 . . . . . . . . 5846 1 479 . 1 1 36 36 GLU HG3 H 1 2.09 0.01 . 1 . . . . . . . . 5846 1 480 . 1 1 36 36 GLU C C 13 176.1 0.1 . 1 . . . . . . . . 5846 1 481 . 1 1 37 37 HIS N N 15 114.5 0.1 . 1 . . . . . . . . 5846 1 482 . 1 1 37 37 HIS H H 1 7.40 0.01 . 1 . . . . . . . . 5846 1 483 . 1 1 37 37 HIS CA C 13 54.1 0.1 . 1 . . . . . . . . 5846 1 484 . 1 1 37 37 HIS HA H 1 4.75 0.01 . 1 . . . . . . . . 5846 1 485 . 1 1 37 37 HIS CB C 13 29.7 0.1 . 1 . . . . . . . . 5846 1 486 . 1 1 37 37 HIS HB2 H 1 3.08 0.01 . 2 . . . . . . . . 5846 1 487 . 1 1 37 37 HIS HB3 H 1 3.41 0.01 . 2 . . . . . . . . 5846 1 488 . 1 1 37 37 HIS CD2 C 13 119.9 0.1 . 1 . . . . . . . . 5846 1 489 . 1 1 37 37 HIS HD1 H 1 7.19 0.01 . 1 . . . . . . . . 5846 1 490 . 1 1 37 37 HIS CE1 C 13 135.9 0.1 . 1 . . . . . . . . 5846 1 491 . 1 1 37 37 HIS HD2 H 1 7.05 0.01 . 1 . . . . . . . . 5846 1 492 . 1 1 37 37 HIS HE1 H 1 8.05 0.01 . 1 . . . . . . . . 5846 1 493 . 1 1 37 37 HIS C C 13 175.1 0.1 . 1 . . . . . . . . 5846 1 494 . 1 1 38 38 LEU N N 15 120.4 0.1 . 1 . . . . . . . . 5846 1 495 . 1 1 38 38 LEU H H 1 6.98 0.01 . 1 . . . . . . . . 5846 1 496 . 1 1 38 38 LEU CA C 13 54.8 0.1 . 1 . . . . . . . . 5846 1 497 . 1 1 38 38 LEU HA H 1 4.46 0.01 . 1 . . . . . . . . 5846 1 498 . 1 1 38 38 LEU CB C 13 41.2 0.1 . 1 . . . . . . . . 5846 1 499 . 1 1 38 38 LEU HB2 H 1 1.30 0.01 . 2 . . . . . . . . 5846 1 500 . 1 1 38 38 LEU HB3 H 1 1.46 0.01 . 2 . . . . . . . . 5846 1 501 . 1 1 38 38 LEU CG C 13 25.6 0.1 . 1 . . . . . . . . 5846 1 502 . 1 1 38 38 LEU HG H 1 1.97 0.01 . 1 . . . . . . . . 5846 1 503 . 1 1 38 38 LEU HD11 H 1 0.66 0.01 . 2 . . . . . . . . 5846 1 504 . 1 1 38 38 LEU HD12 H 1 0.66 0.01 . 2 . . . . . . . . 5846 1 505 . 1 1 38 38 LEU HD13 H 1 0.66 0.01 . 2 . . . . . . . . 5846 1 506 . 1 1 38 38 LEU HD21 H 1 0.72 0.01 . 2 . . . . . . . . 5846 1 507 . 1 1 38 38 LEU HD22 H 1 0.72 0.01 . 2 . . . . . . . . 5846 1 508 . 1 1 38 38 LEU HD23 H 1 0.72 0.01 . 2 . . . . . . . . 5846 1 509 . 1 1 38 38 LEU CD1 C 13 25.7 0.1 . 1 . . . . . . . . 5846 1 510 . 1 1 38 38 LEU CD2 C 13 22.2 0.1 . 1 . . . . . . . . 5846 1 511 . 1 1 38 38 LEU C C 13 177.4 0.1 . 1 . . . . . . . . 5846 1 512 . 1 1 39 39 SER N N 15 121.8 0.1 . 1 . . . . . . . . 5846 1 513 . 1 1 39 39 SER H H 1 9.51 0.01 . 1 . . . . . . . . 5846 1 514 . 1 1 39 39 SER CA C 13 56.9 0.1 . 1 . . . . . . . . 5846 1 515 . 1 1 39 39 SER HA H 1 4.49 0.01 . 1 . . . . . . . . 5846 1 516 . 1 1 39 39 SER CB C 13 65.4 0.1 . 1 . . . . . . . . 5846 1 517 . 1 1 39 39 SER HB2 H 1 4.07 0.01 . 2 . . . . . . . . 5846 1 518 . 1 1 39 39 SER HB3 H 1 4.40 0.01 . 2 . . . . . . . . 5846 1 519 . 1 1 39 39 SER C C 13 174.0 0.1 . 1 . . . . . . . . 5846 1 520 . 1 1 40 40 ASP N N 15 121.7 0.1 . 1 . . . . . . . . 5846 1 521 . 1 1 40 40 ASP H H 1 8.87 0.01 . 1 . . . . . . . . 5846 1 522 . 1 1 40 40 ASP CA C 13 58.3 0.1 . 1 . . . . . . . . 5846 1 523 . 1 1 40 40 ASP HA H 1 4.33 0.01 . 1 . . . . . . . . 5846 1 524 . 1 1 40 40 ASP CB C 13 40.1 0.1 . 1 . . . . . . . . 5846 1 525 . 1 1 40 40 ASP HB2 H 1 2.69 0.01 . 2 . . . . . . . . 5846 1 526 . 1 1 40 40 ASP HB3 H 1 2.90 0.01 . 2 . . . . . . . . 5846 1 527 . 1 1 40 40 ASP C C 13 178.3 0.1 . 1 . . . . . . . . 5846 1 528 . 1 1 41 41 LYS N N 15 121.8 0.1 . 1 . . . . . . . . 5846 1 529 . 1 1 41 41 LYS H H 1 8.29 0.01 . 1 . . . . . . . . 5846 1 530 . 1 1 41 41 LYS CA C 13 59.5 0.1 . 1 . . . . . . . . 5846 1 531 . 1 1 41 41 LYS HA H 1 4.07 0.01 . 1 . . . . . . . . 5846 1 532 . 1 1 41 41 LYS CB C 13 33.1 0.1 . 1 . . . . . . . . 5846 1 533 . 1 1 41 41 LYS HB2 H 1 1.71 0.01 . 2 . . . . . . . . 5846 1 534 . 1 1 41 41 LYS HB3 H 1 1.90 0.01 . 2 . . . . . . . . 5846 1 535 . 1 1 41 41 LYS CG C 13 24.4 0.1 . 1 . . . . . . . . 5846 1 536 . 1 1 41 41 LYS HG2 H 1 1.45 0.01 . 2 . . . . . . . . 5846 1 537 . 1 1 41 41 LYS HG3 H 1 1.42 0.01 . 2 . . . . . . . . 5846 1 538 . 1 1 41 41 LYS CD C 13 29.7 0.1 . 1 . . . . . . . . 5846 1 539 . 1 1 41 41 LYS HD2 H 1 1.67 0.01 . 1 . . . . . . . . 5846 1 540 . 1 1 41 41 LYS HD3 H 1 1.67 0.01 . 1 . . . . . . . . 5846 1 541 . 1 1 41 41 LYS CE C 13 42.1 0.1 . 1 . . . . . . . . 5846 1 542 . 1 1 41 41 LYS HE2 H 1 3.01 0.01 . 2 . . . . . . . . 5846 1 543 . 1 1 41 41 LYS HE3 H 1 3.10 0.01 . 2 . . . . . . . . 5846 1 544 . 1 1 41 41 LYS C C 13 179.0 0.1 . 1 . . . . . . . . 5846 1 545 . 1 1 42 42 GLU N N 15 119.6 0.1 . 1 . . . . . . . . 5846 1 546 . 1 1 42 42 GLU H H 1 7.66 0.01 . 1 . . . . . . . . 5846 1 547 . 1 1 42 42 GLU CA C 13 58.6 0.1 . 1 . . . . . . . . 5846 1 548 . 1 1 42 42 GLU HA H 1 4.08 0.01 . 1 . . . . . . . . 5846 1 549 . 1 1 42 42 GLU CB C 13 30.8 0.1 . 1 . . . . . . . . 5846 1 550 . 1 1 42 42 GLU HB2 H 1 2.16 0.01 . 2 . . . . . . . . 5846 1 551 . 1 1 42 42 GLU HB3 H 1 2.38 0.01 . 2 . . . . . . . . 5846 1 552 . 1 1 42 42 GLU CG C 13 36.0 0.1 . 1 . . . . . . . . 5846 1 553 . 1 1 42 42 GLU HG2 H 1 2.16 0.01 . 2 . . . . . . . . 5846 1 554 . 1 1 42 42 GLU HG3 H 1 2.39 0.01 . 2 . . . . . . . . 5846 1 555 . 1 1 42 42 GLU C C 13 179.4 0.1 . 1 . . . . . . . . 5846 1 556 . 1 1 43 43 LEU N N 15 121.7 0.1 . 1 . . . . . . . . 5846 1 557 . 1 1 43 43 LEU H H 1 8.83 0.01 . 1 . . . . . . . . 5846 1 558 . 1 1 43 43 LEU CA C 13 58.2 0.1 . 1 . . . . . . . . 5846 1 559 . 1 1 43 43 LEU HA H 1 3.96 0.01 . 1 . . . . . . . . 5846 1 560 . 1 1 43 43 LEU CB C 13 40.4 0.1 . 1 . . . . . . . . 5846 1 561 . 1 1 43 43 LEU HB2 H 1 1.48 0.01 . 2 . . . . . . . . 5846 1 562 . 1 1 43 43 LEU HB3 H 1 0.43 0.01 . 2 . . . . . . . . 5846 1 563 . 1 1 43 43 LEU CG C 13 26.2 0.1 . 1 . . . . . . . . 5846 1 564 . 1 1 43 43 LEU HG H 1 1.43 0.01 . 1 . . . . . . . . 5846 1 565 . 1 1 43 43 LEU HD11 H 1 0.56 0.01 . 2 . . . . . . . . 5846 1 566 . 1 1 43 43 LEU HD12 H 1 0.56 0.01 . 2 . . . . . . . . 5846 1 567 . 1 1 43 43 LEU HD13 H 1 0.56 0.01 . 2 . . . . . . . . 5846 1 568 . 1 1 43 43 LEU HD21 H 1 0.58 0.01 . 2 . . . . . . . . 5846 1 569 . 1 1 43 43 LEU HD22 H 1 0.58 0.01 . 2 . . . . . . . . 5846 1 570 . 1 1 43 43 LEU HD23 H 1 0.58 0.01 . 2 . . . . . . . . 5846 1 571 . 1 1 43 43 LEU CD1 C 13 26.2 0.1 . 1 . . . . . . . . 5846 1 572 . 1 1 43 43 LEU CD2 C 13 24.9 0.1 . 1 . . . . . . . . 5846 1 573 . 1 1 43 43 LEU C C 13 179.3 0.1 . 1 . . . . . . . . 5846 1 574 . 1 1 44 44 SER N N 15 117.2 0.1 . 1 . . . . . . . . 5846 1 575 . 1 1 44 44 SER H H 1 7.99 0.01 . 1 . . . . . . . . 5846 1 576 . 1 1 44 44 SER CA C 13 62.1 0.1 . 1 . . . . . . . . 5846 1 577 . 1 1 44 44 SER HA H 1 4.34 0.01 . 1 . . . . . . . . 5846 1 578 . 1 1 44 44 SER CB C 13 62.8 0.1 . 1 . . . . . . . . 5846 1 579 . 1 1 44 44 SER HB2 H 1 4.29 0.01 . 1 . . . . . . . . 5846 1 580 . 1 1 44 44 SER HB3 H 1 4.29 0.01 . 1 . . . . . . . . 5846 1 581 . 1 1 44 44 SER C C 13 177.9 0.1 . 1 . . . . . . . . 5846 1 582 . 1 1 45 45 GLU N N 15 125.4 0.1 . 1 . . . . . . . . 5846 1 583 . 1 1 45 45 GLU H H 1 7.88 0.01 . 1 . . . . . . . . 5846 1 584 . 1 1 45 45 GLU CA C 13 59.0 0.1 . 1 . . . . . . . . 5846 1 585 . 1 1 45 45 GLU HA H 1 4.15 0.01 . 1 . . . . . . . . 5846 1 586 . 1 1 45 45 GLU CB C 13 29.1 0.1 . 1 . . . . . . . . 5846 1 587 . 1 1 45 45 GLU HB2 H 1 2.52 0.01 . 2 . . . . . . . . 5846 1 588 . 1 1 45 45 GLU HB3 H 1 1.90 0.01 . 2 . . . . . . . . 5846 1 589 . 1 1 45 45 GLU CG C 13 36.1 0.1 . 1 . . . . . . . . 5846 1 590 . 1 1 45 45 GLU HG2 H 1 2.59 0.01 . 2 . . . . . . . . 5846 1 591 . 1 1 45 45 GLU HG3 H 1 2.33 0.01 . 2 . . . . . . . . 5846 1 592 . 1 1 45 45 GLU C C 13 178.3 0.1 . 1 . . . . . . . . 5846 1 593 . 1 1 46 46 PHE N N 15 120.8 0.1 . 1 . . . . . . . . 5846 1 594 . 1 1 46 46 PHE H H 1 9.49 0.01 . 1 . . . . . . . . 5846 1 595 . 1 1 46 46 PHE CA C 13 58.9 0.1 . 1 . . . . . . . . 5846 1 596 . 1 1 46 46 PHE HA H 1 4.43 0.01 . 1 . . . . . . . . 5846 1 597 . 1 1 46 46 PHE CB C 13 39.4 0.1 . 1 . . . . . . . . 5846 1 598 . 1 1 46 46 PHE HB2 H 1 3.27 0.01 . 2 . . . . . . . . 5846 1 599 . 1 1 46 46 PHE HB3 H 1 3.52 0.01 . 2 . . . . . . . . 5846 1 600 . 1 1 46 46 PHE HD1 H 1 7.05 0.01 . 1 . . . . . . . . 5846 1 601 . 1 1 46 46 PHE HD2 H 1 7.05 0.01 . 1 . . . . . . . . 5846 1 602 . 1 1 46 46 PHE HE1 H 1 7.16 0.01 . 1 . . . . . . . . 5846 1 603 . 1 1 46 46 PHE HE2 H 1 7.16 0.01 . 1 . . . . . . . . 5846 1 604 . 1 1 46 46 PHE CD1 C 13 131.7 0.1 . 1 . . . . . . . . 5846 1 605 . 1 1 46 46 PHE CE1 C 13 130.8 0.1 . 1 . . . . . . . . 5846 1 606 . 1 1 46 46 PHE CZ C 13 129.0 0.1 . 1 . . . . . . . . 5846 1 607 . 1 1 46 46 PHE HZ H 1 7.02 0.01 . 1 . . . . . . . . 5846 1 608 . 1 1 46 46 PHE C C 13 176.6 0.1 . 1 . . . . . . . . 5846 1 609 . 1 1 47 47 SER N N 15 112.2 0.1 . 1 . . . . . . . . 5846 1 610 . 1 1 47 47 SER H H 1 8.51 0.01 . 1 . . . . . . . . 5846 1 611 . 1 1 47 47 SER CA C 13 62.1 0.1 . 1 . . . . . . . . 5846 1 612 . 1 1 47 47 SER HA H 1 3.82 0.01 . 1 . . . . . . . . 5846 1 613 . 1 1 47 47 SER CB C 13 62.9 0.1 . 1 . . . . . . . . 5846 1 614 . 1 1 47 47 SER HB2 H 1 4.06 0.01 . 2 . . . . . . . . 5846 1 615 . 1 1 47 47 SER HB3 H 1 4.12 0.01 . 2 . . . . . . . . 5846 1 616 . 1 1 47 47 SER C C 13 175.9 0.1 . 1 . . . . . . . . 5846 1 617 . 1 1 48 48 GLU N N 15 120.6 0.1 . 1 . . . . . . . . 5846 1 618 . 1 1 48 48 GLU H H 1 7.36 0.01 . 1 . . . . . . . . 5846 1 619 . 1 1 48 48 GLU CA C 13 59.6 0.1 . 1 . . . . . . . . 5846 1 620 . 1 1 48 48 GLU HA H 1 4.04 0.01 . 1 . . . . . . . . 5846 1 621 . 1 1 48 48 GLU CB C 13 29.8 0.1 . 1 . . . . . . . . 5846 1 622 . 1 1 48 48 GLU HB2 H 1 2.10 0.01 . 2 . . . . . . . . 5846 1 623 . 1 1 48 48 GLU HB3 H 1 2.22 0.01 . 2 . . . . . . . . 5846 1 624 . 1 1 48 48 GLU CG C 13 36.6 0.1 . 1 . . . . . . . . 5846 1 625 . 1 1 48 48 GLU HG2 H 1 2.52 0.01 . 1 . . . . . . . . 5846 1 626 . 1 1 48 48 GLU HG3 H 1 2.52 0.01 . 1 . . . . . . . . 5846 1 627 . 1 1 48 48 GLU C C 13 180.2 0.1 . 1 . . . . . . . . 5846 1 628 . 1 1 49 49 ILE N N 15 123.0 0.1 . 1 . . . . . . . . 5846 1 629 . 1 1 49 49 ILE H H 1 8.05 0.01 . 1 . . . . . . . . 5846 1 630 . 1 1 49 49 ILE CA C 13 64.7 0.1 . 1 . . . . . . . . 5846 1 631 . 1 1 49 49 ILE HA H 1 3.53 0.01 . 1 . . . . . . . . 5846 1 632 . 1 1 49 49 ILE CB C 13 37.8 0.1 . 1 . . . . . . . . 5846 1 633 . 1 1 49 49 ILE HB H 1 2.19 0.01 . 1 . . . . . . . . 5846 1 634 . 1 1 49 49 ILE HG21 H 1 0.87 0.01 . 1 . . . . . . . . 5846 1 635 . 1 1 49 49 ILE HG22 H 1 0.87 0.01 . 1 . . . . . . . . 5846 1 636 . 1 1 49 49 ILE HG23 H 1 0.87 0.01 . 1 . . . . . . . . 5846 1 637 . 1 1 49 49 ILE CG2 C 13 17.8 0.1 . 1 . . . . . . . . 5846 1 638 . 1 1 49 49 ILE CG1 C 13 31.8 0.1 . 1 . . . . . . . . 5846 1 639 . 1 1 49 49 ILE HG12 H 1 1.99 0.01 . 2 . . . . . . . . 5846 1 640 . 1 1 49 49 ILE HG13 H 1 0.91 0.01 . 2 . . . . . . . . 5846 1 641 . 1 1 49 49 ILE HD11 H 1 0.91 0.01 . 1 . . . . . . . . 5846 1 642 . 1 1 49 49 ILE HD12 H 1 0.91 0.01 . 1 . . . . . . . . 5846 1 643 . 1 1 49 49 ILE HD13 H 1 0.91 0.01 . 1 . . . . . . . . 5846 1 644 . 1 1 49 49 ILE CD1 C 13 14.4 0.1 . 1 . . . . . . . . 5846 1 645 . 1 1 49 49 ILE C C 13 176.5 0.1 . 1 . . . . . . . . 5846 1 646 . 1 1 50 50 LEU N N 15 115.9 0.1 . 1 . . . . . . . . 5846 1 647 . 1 1 50 50 LEU H H 1 7.65 0.01 . 1 . . . . . . . . 5846 1 648 . 1 1 50 50 LEU CA C 13 55.6 0.1 . 1 . . . . . . . . 5846 1 649 . 1 1 50 50 LEU HA H 1 3.86 0.01 . 1 . . . . . . . . 5846 1 650 . 1 1 50 50 LEU CB C 13 41.4 0.1 . 1 . . . . . . . . 5846 1 651 . 1 1 50 50 LEU HB2 H 1 1.68 0.01 . 2 . . . . . . . . 5846 1 652 . 1 1 50 50 LEU HB3 H 1 0.99 0.01 . 2 . . . . . . . . 5846 1 653 . 1 1 50 50 LEU CG C 13 25.8 0.1 . 1 . . . . . . . . 5846 1 654 . 1 1 50 50 LEU HG H 1 1.07 0.01 . 1 . . . . . . . . 5846 1 655 . 1 1 50 50 LEU HD11 H 1 -0.07 0.01 . 2 . . . . . . . . 5846 1 656 . 1 1 50 50 LEU HD12 H 1 -0.07 0.01 . 2 . . . . . . . . 5846 1 657 . 1 1 50 50 LEU HD13 H 1 -0.07 0.01 . 2 . . . . . . . . 5846 1 658 . 1 1 50 50 LEU HD21 H 1 -0.12 0.01 . 2 . . . . . . . . 5846 1 659 . 1 1 50 50 LEU HD22 H 1 -0.12 0.01 . 2 . . . . . . . . 5846 1 660 . 1 1 50 50 LEU HD23 H 1 -0.12 0.01 . 2 . . . . . . . . 5846 1 661 . 1 1 50 50 LEU CD1 C 13 26.1 0.1 . 1 . . . . . . . . 5846 1 662 . 1 1 50 50 LEU CD2 C 13 22.2 0.1 . 1 . . . . . . . . 5846 1 663 . 1 1 50 50 LEU C C 13 178.3 0.1 . 1 . . . . . . . . 5846 1 664 . 1 1 51 51 GLU N N 15 117.7 0.1 . 1 . . . . . . . . 5846 1 665 . 1 1 51 51 GLU H H 1 7.33 0.01 . 1 . . . . . . . . 5846 1 666 . 1 1 51 51 GLU CA C 13 57.2 0.1 . 1 . . . . . . . . 5846 1 667 . 1 1 51 51 GLU HA H 1 4.12 0.01 . 1 . . . . . . . . 5846 1 668 . 1 1 51 51 GLU CB C 13 29.8 0.1 . 1 . . . . . . . . 5846 1 669 . 1 1 51 51 GLU HB2 H 1 2.04 0.01 . 2 . . . . . . . . 5846 1 670 . 1 1 51 51 GLU HB3 H 1 2.10 0.01 . 2 . . . . . . . . 5846 1 671 . 1 1 51 51 GLU CG C 13 36.2 0.1 . 1 . . . . . . . . 5846 1 672 . 1 1 51 51 GLU HG2 H 1 2.23 0.01 . 2 . . . . . . . . 5846 1 673 . 1 1 51 51 GLU HG3 H 1 2.60 0.01 . 2 . . . . . . . . 5846 1 674 . 1 1 51 51 GLU C C 13 178.1 0.1 . 1 . . . . . . . . 5846 1 675 . 1 1 52 52 PHE N N 15 119.4 0.1 . 1 . . . . . . . . 5846 1 676 . 1 1 52 52 PHE H H 1 7.67 0.01 . 1 . . . . . . . . 5846 1 677 . 1 1 52 52 PHE CA C 13 58.5 0.1 . 1 . . . . . . . . 5846 1 678 . 1 1 52 52 PHE HA H 1 4.51 0.01 . 1 . . . . . . . . 5846 1 679 . 1 1 52 52 PHE CB C 13 39.7 0.1 . 1 . . . . . . . . 5846 1 680 . 1 1 52 52 PHE HB2 H 1 3.13 0.01 . 2 . . . . . . . . 5846 1 681 . 1 1 52 52 PHE HB3 H 1 3.25 0.01 . 2 . . . . . . . . 5846 1 682 . 1 1 52 52 PHE HD1 H 1 7.61 0.01 . 1 . . . . . . . . 5846 1 683 . 1 1 52 52 PHE HD2 H 1 7.61 0.01 . 1 . . . . . . . . 5846 1 684 . 1 1 52 52 PHE HE1 H 1 7.19 0.01 . 1 . . . . . . . . 5846 1 685 . 1 1 52 52 PHE HE2 H 1 7.19 0.01 . 1 . . . . . . . . 5846 1 686 . 1 1 52 52 PHE CD1 C 13 131.8 0.1 . 1 . . . . . . . . 5846 1 687 . 1 1 52 52 PHE CE1 C 13 131.2 0.1 . 1 . . . . . . . . 5846 1 688 . 1 1 52 52 PHE CZ C 13 129.0 0.1 . 1 . . . . . . . . 5846 1 689 . 1 1 52 52 PHE HZ H 1 7.14 0.01 . 1 . . . . . . . . 5846 1 690 . 1 1 52 52 PHE C C 13 175.7 0.1 . 1 . . . . . . . . 5846 1 691 . 1 1 53 53 GLN N N 15 119.3 0.1 . 1 . . . . . . . . 5846 1 692 . 1 1 53 53 GLN H H 1 9.04 0.01 . 1 . . . . . . . . 5846 1 693 . 1 1 53 53 GLN CA C 13 55.6 0.1 . 1 . . . . . . . . 5846 1 694 . 1 1 53 53 GLN HA H 1 4.29 0.01 . 1 . . . . . . . . 5846 1 695 . 1 1 53 53 GLN CB C 13 29.2 0.1 . 1 . . . . . . . . 5846 1 696 . 1 1 53 53 GLN HB2 H 1 2.17 0.01 . 2 . . . . . . . . 5846 1 697 . 1 1 53 53 GLN HB3 H 1 2.40 0.01 . 2 . . . . . . . . 5846 1 698 . 1 1 53 53 GLN CG C 13 34.3 0.1 . 1 . . . . . . . . 5846 1 699 . 1 1 53 53 GLN HG2 H 1 2.61 0.01 . 2 . . . . . . . . 5846 1 700 . 1 1 53 53 GLN HG3 H 1 2.65 0.01 . 2 . . . . . . . . 5846 1 701 . 1 1 53 53 GLN NE2 N 15 114.5 0.1 . 1 . . . . . . . . 5846 1 702 . 1 1 53 53 GLN HE21 H 1 7.75 0.01 . 2 . . . . . . . . 5846 1 703 . 1 1 53 53 GLN HE22 H 1 6.99 0.01 . 2 . . . . . . . . 5846 1 704 . 1 1 53 53 GLN C C 13 177.5 0.1 . 1 . . . . . . . . 5846 1 705 . 1 1 54 54 ASP N N 15 121.7 0.1 . 1 . . . . . . . . 5846 1 706 . 1 1 54 54 ASP H H 1 8.94 0.01 . 1 . . . . . . . . 5846 1 707 . 1 1 54 54 ASP CA C 13 58.4 0.1 . 1 . . . . . . . . 5846 1 708 . 1 1 54 54 ASP HA H 1 4.22 0.01 . 1 . . . . . . . . 5846 1 709 . 1 1 54 54 ASP CB C 13 40.5 0.1 . 1 . . . . . . . . 5846 1 710 . 1 1 54 54 ASP HB2 H 1 2.54 0.01 . 2 . . . . . . . . 5846 1 711 . 1 1 54 54 ASP HB3 H 1 2.75 0.01 . 2 . . . . . . . . 5846 1 712 . 1 1 54 54 ASP C C 13 177.5 0.1 . 1 . . . . . . . . 5846 1 713 . 1 1 55 55 GLN N N 15 117.2 0.1 . 1 . . . . . . . . 5846 1 714 . 1 1 55 55 GLN H H 1 8.91 0.01 . 1 . . . . . . . . 5846 1 715 . 1 1 55 55 GLN CA C 13 59.6 0.1 . 1 . . . . . . . . 5846 1 716 . 1 1 55 55 GLN HA H 1 3.87 0.01 . 1 . . . . . . . . 5846 1 717 . 1 1 55 55 GLN CB C 13 27.4 0.1 . 1 . . . . . . . . 5846 1 718 . 1 1 55 55 GLN HB2 H 1 2.13 0.01 . 2 . . . . . . . . 5846 1 719 . 1 1 55 55 GLN HB3 H 1 2.11 0.01 . 2 . . . . . . . . 5846 1 720 . 1 1 55 55 GLN CG C 13 33.8 0.1 . 1 . . . . . . . . 5846 1 721 . 1 1 55 55 GLN HG2 H 1 2.49 0.01 . 1 . . . . . . . . 5846 1 722 . 1 1 55 55 GLN HG3 H 1 2.49 0.01 . 1 . . . . . . . . 5846 1 723 . 1 1 55 55 GLN NE2 N 15 113.0 0.1 . 1 . . . . . . . . 5846 1 724 . 1 1 55 55 GLN HE21 H 1 7.65 0.01 . 2 . . . . . . . . 5846 1 725 . 1 1 55 55 GLN HE22 H 1 6.95 0.01 . 2 . . . . . . . . 5846 1 726 . 1 1 55 55 GLN C C 13 178.8 0.1 . 1 . . . . . . . . 5846 1 727 . 1 1 56 56 GLU N N 15 120.8 0.1 . 1 . . . . . . . . 5846 1 728 . 1 1 56 56 GLU H H 1 7.40 0.01 . 1 . . . . . . . . 5846 1 729 . 1 1 56 56 GLU CA C 13 58.5 0.1 . 1 . . . . . . . . 5846 1 730 . 1 1 56 56 GLU HA H 1 4.11 0.01 . 1 . . . . . . . . 5846 1 731 . 1 1 56 56 GLU CB C 13 29.3 0.1 . 1 . . . . . . . . 5846 1 732 . 1 1 56 56 GLU HB2 H 1 2.00 0.01 . 1 . . . . . . . . 5846 1 733 . 1 1 56 56 GLU HB3 H 1 2.00 0.01 . 1 . . . . . . . . 5846 1 734 . 1 1 56 56 GLU CG C 13 36.0 0.1 . 1 . . . . . . . . 5846 1 735 . 1 1 56 56 GLU HG2 H 1 2.21 0.01 . 1 . . . . . . . . 5846 1 736 . 1 1 56 56 GLU HG3 H 1 2.21 0.01 . 1 . . . . . . . . 5846 1 737 . 1 1 56 56 GLU C C 13 177.8 0.1 . 1 . . . . . . . . 5846 1 738 . 1 1 57 57 LEU N N 15 121.7 0.1 . 1 . . . . . . . . 5846 1 739 . 1 1 57 57 LEU H H 1 8.67 0.01 . 1 . . . . . . . . 5846 1 740 . 1 1 57 57 LEU CA C 13 57.6 0.1 . 1 . . . . . . . . 5846 1 741 . 1 1 57 57 LEU HA H 1 3.92 0.01 . 1 . . . . . . . . 5846 1 742 . 1 1 57 57 LEU CB C 13 41.7 0.1 . 1 . . . . . . . . 5846 1 743 . 1 1 57 57 LEU HB2 H 1 1.73 0.01 . 2 . . . . . . . . 5846 1 744 . 1 1 57 57 LEU HB3 H 1 1.84 0.01 . 2 . . . . . . . . 5846 1 745 . 1 1 57 57 LEU CG C 13 27.3 0.1 . 1 . . . . . . . . 5846 1 746 . 1 1 57 57 LEU HG H 1 1.70 0.01 . 1 . . . . . . . . 5846 1 747 . 1 1 57 57 LEU HD11 H 1 1.05 0.01 . 2 . . . . . . . . 5846 1 748 . 1 1 57 57 LEU HD12 H 1 1.05 0.01 . 2 . . . . . . . . 5846 1 749 . 1 1 57 57 LEU HD13 H 1 1.05 0.01 . 2 . . . . . . . . 5846 1 750 . 1 1 57 57 LEU HD21 H 1 1.10 0.01 . 2 . . . . . . . . 5846 1 751 . 1 1 57 57 LEU HD22 H 1 1.10 0.01 . 2 . . . . . . . . 5846 1 752 . 1 1 57 57 LEU HD23 H 1 1.10 0.01 . 2 . . . . . . . . 5846 1 753 . 1 1 57 57 LEU CD1 C 13 23.7 0.1 . 1 . . . . . . . . 5846 1 754 . 1 1 57 57 LEU CD2 C 13 25.2 0.1 . 1 . . . . . . . . 5846 1 755 . 1 1 57 57 LEU C C 13 178.2 0.1 . 1 . . . . . . . . 5846 1 756 . 1 1 58 58 LEU N N 15 119.5 0.1 . 1 . . . . . . . . 5846 1 757 . 1 1 58 58 LEU H H 1 8.49 0.01 . 1 . . . . . . . . 5846 1 758 . 1 1 58 58 LEU CA C 13 58.1 0.1 . 1 . . . . . . . . 5846 1 759 . 1 1 58 58 LEU HA H 1 3.84 0.01 . 1 . . . . . . . . 5846 1 760 . 1 1 58 58 LEU CB C 13 41.7 0.1 . 1 . . . . . . . . 5846 1 761 . 1 1 58 58 LEU HB2 H 1 1.34 0.01 . 2 . . . . . . . . 5846 1 762 . 1 1 58 58 LEU HB3 H 1 1.89 0.01 . 2 . . . . . . . . 5846 1 763 . 1 1 58 58 LEU CG C 13 26.5 0.1 . 1 . . . . . . . . 5846 1 764 . 1 1 58 58 LEU HG H 1 1.56 0.01 . 1 . . . . . . . . 5846 1 765 . 1 1 58 58 LEU HD11 H 1 0.71 0.01 . 2 . . . . . . . . 5846 1 766 . 1 1 58 58 LEU HD12 H 1 0.71 0.01 . 2 . . . . . . . . 5846 1 767 . 1 1 58 58 LEU HD13 H 1 0.71 0.01 . 2 . . . . . . . . 5846 1 768 . 1 1 58 58 LEU HD21 H 1 0.84 0.01 . 2 . . . . . . . . 5846 1 769 . 1 1 58 58 LEU HD22 H 1 0.84 0.01 . 2 . . . . . . . . 5846 1 770 . 1 1 58 58 LEU HD23 H 1 0.84 0.01 . 2 . . . . . . . . 5846 1 771 . 1 1 58 58 LEU CD1 C 13 23.5 0.1 . 1 . . . . . . . . 5846 1 772 . 1 1 58 58 LEU CD2 C 13 26.0 0.1 . 1 . . . . . . . . 5846 1 773 . 1 1 58 58 LEU C C 13 177.7 0.1 . 1 . . . . . . . . 5846 1 774 . 1 1 59 59 ALA N N 15 120.4 0.1 . 1 . . . . . . . . 5846 1 775 . 1 1 59 59 ALA H H 1 7.39 0.01 . 1 . . . . . . . . 5846 1 776 . 1 1 59 59 ALA CA C 13 55.1 0.1 . 1 . . . . . . . . 5846 1 777 . 1 1 59 59 ALA HA H 1 4.11 0.01 . 1 . . . . . . . . 5846 1 778 . 1 1 59 59 ALA HB1 H 1 1.45 0.01 . 1 . . . . . . . . 5846 1 779 . 1 1 59 59 ALA HB2 H 1 1.45 0.01 . 1 . . . . . . . . 5846 1 780 . 1 1 59 59 ALA HB3 H 1 1.45 0.01 . 1 . . . . . . . . 5846 1 781 . 1 1 59 59 ALA CB C 13 17.9 0.1 . 1 . . . . . . . . 5846 1 782 . 1 1 59 59 ALA C C 13 179.9 0.1 . 1 . . . . . . . . 5846 1 783 . 1 1 60 60 LEU N N 15 119.3 0.1 . 1 . . . . . . . . 5846 1 784 . 1 1 60 60 LEU H H 1 8.11 0.01 . 1 . . . . . . . . 5846 1 785 . 1 1 60 60 LEU CA C 13 57.2 0.1 . 1 . . . . . . . . 5846 1 786 . 1 1 60 60 LEU HA H 1 4.09 0.01 . 1 . . . . . . . . 5846 1 787 . 1 1 60 60 LEU CB C 13 42.6 0.1 . 1 . . . . . . . . 5846 1 788 . 1 1 60 60 LEU HB2 H 1 1.30 0.01 . 2 . . . . . . . . 5846 1 789 . 1 1 60 60 LEU HB3 H 1 1.85 0.01 . 2 . . . . . . . . 5846 1 790 . 1 1 60 60 LEU CG C 13 26.2 0.1 . 1 . . . . . . . . 5846 1 791 . 1 1 60 60 LEU HG H 1 1.56 0.01 . 1 . . . . . . . . 5846 1 792 . 1 1 60 60 LEU HD11 H 1 0.33 0.01 . 2 . . . . . . . . 5846 1 793 . 1 1 60 60 LEU HD12 H 1 0.33 0.01 . 2 . . . . . . . . 5846 1 794 . 1 1 60 60 LEU HD13 H 1 0.33 0.01 . 2 . . . . . . . . 5846 1 795 . 1 1 60 60 LEU HD21 H 1 0.49 0.01 . 2 . . . . . . . . 5846 1 796 . 1 1 60 60 LEU HD22 H 1 0.49 0.01 . 2 . . . . . . . . 5846 1 797 . 1 1 60 60 LEU HD23 H 1 0.49 0.01 . 2 . . . . . . . . 5846 1 798 . 1 1 60 60 LEU CD1 C 13 24.7 0.1 . 1 . . . . . . . . 5846 1 799 . 1 1 60 60 LEU CD2 C 13 23.5 0.1 . 1 . . . . . . . . 5846 1 800 . 1 1 60 60 LEU C C 13 181.1 0.1 . 1 . . . . . . . . 5846 1 801 . 1 1 61 61 ILE N N 15 122.2 0.1 . 1 . . . . . . . . 5846 1 802 . 1 1 61 61 ILE H H 1 8.52 0.01 . 1 . . . . . . . . 5846 1 803 . 1 1 61 61 ILE CA C 13 65.4 0.1 . 1 . . . . . . . . 5846 1 804 . 1 1 61 61 ILE HA H 1 3.41 0.01 . 1 . . . . . . . . 5846 1 805 . 1 1 61 61 ILE CB C 13 37.8 0.1 . 1 . . . . . . . . 5846 1 806 . 1 1 61 61 ILE HB H 1 1.74 0.01 . 1 . . . . . . . . 5846 1 807 . 1 1 61 61 ILE HG21 H 1 0.73 0.01 . 1 . . . . . . . . 5846 1 808 . 1 1 61 61 ILE HG22 H 1 0.73 0.01 . 1 . . . . . . . . 5846 1 809 . 1 1 61 61 ILE HG23 H 1 0.73 0.01 . 1 . . . . . . . . 5846 1 810 . 1 1 61 61 ILE CG2 C 13 17.3 0.1 . 1 . . . . . . . . 5846 1 811 . 1 1 61 61 ILE CG1 C 13 29.6 0.1 . 1 . . . . . . . . 5846 1 812 . 1 1 61 61 ILE HG12 H 1 1.66 0.01 . 2 . . . . . . . . 5846 1 813 . 1 1 61 61 ILE HG13 H 1 0.83 0.01 . 2 . . . . . . . . 5846 1 814 . 1 1 61 61 ILE HD11 H 1 0.57 0.01 . 1 . . . . . . . . 5846 1 815 . 1 1 61 61 ILE HD12 H 1 0.57 0.01 . 1 . . . . . . . . 5846 1 816 . 1 1 61 61 ILE HD13 H 1 0.57 0.01 . 1 . . . . . . . . 5846 1 817 . 1 1 61 61 ILE CD1 C 13 14.1 0.1 . 1 . . . . . . . . 5846 1 818 . 1 1 61 61 ILE C C 13 176.9 0.1 . 1 . . . . . . . . 5846 1 819 . 1 1 62 62 ASN N N 15 116.3 0.1 . 1 . . . . . . . . 5846 1 820 . 1 1 62 62 ASN H H 1 8.25 0.01 . 1 . . . . . . . . 5846 1 821 . 1 1 62 62 ASN CA C 13 53.5 0.1 . 1 . . . . . . . . 5846 1 822 . 1 1 62 62 ASN HA H 1 4.57 0.01 . 1 . . . . . . . . 5846 1 823 . 1 1 62 62 ASN CB C 13 38.3 0.1 . 1 . . . . . . . . 5846 1 824 . 1 1 62 62 ASN HB2 H 1 2.48 0.01 . 2 . . . . . . . . 5846 1 825 . 1 1 62 62 ASN HB3 H 1 2.62 0.01 . 2 . . . . . . . . 5846 1 826 . 1 1 62 62 ASN ND2 N 15 109.6 0.1 . 1 . . . . . . . . 5846 1 827 . 1 1 62 62 ASN HD21 H 1 7.21 0.01 . 2 . . . . . . . . 5846 1 828 . 1 1 62 62 ASN HD22 H 1 6.59 0.01 . 2 . . . . . . . . 5846 1 829 . 1 1 62 62 ASN C C 13 175.5 0.1 . 1 . . . . . . . . 5846 1 830 . 1 1 63 63 GLY N N 15 107.2 0.1 . 1 . . . . . . . . 5846 1 831 . 1 1 63 63 GLY H H 1 7.53 0.01 . 1 . . . . . . . . 5846 1 832 . 1 1 63 63 GLY CA C 13 45.7 0.1 . 1 . . . . . . . . 5846 1 833 . 1 1 63 63 GLY HA2 H 1 3.86 0.01 . 2 . . . . . . . . 5846 1 834 . 1 1 63 63 GLY HA3 H 1 4.02 0.01 . 2 . . . . . . . . 5846 1 835 . 1 1 63 63 GLY C C 13 174.4 0.1 . 1 . . . . . . . . 5846 1 836 . 1 1 64 64 HIS N N 15 119.0 0.1 . 1 . . . . . . . . 5846 1 837 . 1 1 64 64 HIS H H 1 8.52 0.01 . 1 . . . . . . . . 5846 1 838 . 1 1 64 64 HIS CA C 13 55.7 0.1 . 1 . . . . . . . . 5846 1 839 . 1 1 64 64 HIS HA H 1 4.71 0.01 . 1 . . . . . . . . 5846 1 840 . 1 1 64 64 HIS CB C 13 30.4 0.1 . 1 . . . . . . . . 5846 1 841 . 1 1 64 64 HIS HB2 H 1 2.97 0.01 . 2 . . . . . . . . 5846 1 842 . 1 1 64 64 HIS HB3 H 1 3.33 0.01 . 2 . . . . . . . . 5846 1 843 . 1 1 64 64 HIS CD2 C 13 120.3 0.1 . 1 . . . . . . . . 5846 1 844 . 1 1 64 64 HIS CE1 C 13 136.3 0.1 . 1 . . . . . . . . 5846 1 845 . 1 1 64 64 HIS HD2 H 1 7.21 0.01 . 1 . . . . . . . . 5846 1 846 . 1 1 64 64 HIS HE1 H 1 8.21 0.01 . 1 . . . . . . . . 5846 1 847 . 1 1 64 64 HIS C C 13 174.3 0.1 . 1 . . . . . . . . 5846 1 848 . 1 1 65 65 SER N N 15 114.0 0.1 . 1 . . . . . . . . 5846 1 849 . 1 1 65 65 SER H H 1 7.50 0.01 . 1 . . . . . . . . 5846 1 850 . 1 1 65 65 SER CA C 13 56.7 0.1 . 1 . . . . . . . . 5846 1 851 . 1 1 65 65 SER HA H 1 4.56 0.01 . 1 . . . . . . . . 5846 1 852 . 1 1 65 65 SER CB C 13 65.2 0.1 . 1 . . . . . . . . 5846 1 853 . 1 1 65 65 SER HB2 H 1 3.60 0.01 . 1 . . . . . . . . 5846 1 854 . 1 1 65 65 SER HB3 H 1 3.60 0.01 . 1 . . . . . . . . 5846 1 855 . 1 1 65 65 SER C C 13 171.9 0.1 . 1 . . . . . . . . 5846 1 856 . 1 1 66 66 GLU N N 15 120.4 0.1 . 1 . . . . . . . . 5846 1 857 . 1 1 66 66 GLU H H 1 8.35 0.01 . 1 . . . . . . . . 5846 1 858 . 1 1 66 66 GLU CA C 13 54.5 0.1 . 1 . . . . . . . . 5846 1 859 . 1 1 66 66 GLU HA H 1 4.65 0.01 . 1 . . . . . . . . 5846 1 860 . 1 1 66 66 GLU CB C 13 32.4 0.1 . 1 . . . . . . . . 5846 1 861 . 1 1 66 66 GLU HB2 H 1 1.76 0.01 . 2 . . . . . . . . 5846 1 862 . 1 1 66 66 GLU HB3 H 1 1.97 0.01 . 2 . . . . . . . . 5846 1 863 . 1 1 66 66 GLU CG C 13 36.0 0.1 . 1 . . . . . . . . 5846 1 864 . 1 1 66 66 GLU HG2 H 1 2.16 0.01 . 2 . . . . . . . . 5846 1 865 . 1 1 66 66 GLU HG3 H 1 2.26 0.01 . 2 . . . . . . . . 5846 1 866 . 1 1 66 66 GLU C C 13 175.7 0.1 . 1 . . . . . . . . 5846 1 867 . 1 1 67 67 THR N N 15 117.2 0.1 . 1 . . . . . . . . 5846 1 868 . 1 1 67 67 THR H H 1 8.63 0.01 . 1 . . . . . . . . 5846 1 869 . 1 1 67 67 THR CA C 13 59.7 0.1 . 1 . . . . . . . . 5846 1 870 . 1 1 67 67 THR HA H 1 4.68 0.01 . 1 . . . . . . . . 5846 1 871 . 1 1 67 67 THR CB C 13 69.4 0.1 . 1 . . . . . . . . 5846 1 872 . 1 1 67 67 THR HB H 1 4.01 0.01 . 1 . . . . . . . . 5846 1 873 . 1 1 67 67 THR HG21 H 1 0.99 0.01 . 1 . . . . . . . . 5846 1 874 . 1 1 67 67 THR HG22 H 1 0.99 0.01 . 1 . . . . . . . . 5846 1 875 . 1 1 67 67 THR HG23 H 1 0.99 0.01 . 1 . . . . . . . . 5846 1 876 . 1 1 67 67 THR CG2 C 13 18.7 0.1 . 1 . . . . . . . . 5846 1 877 . 1 1 67 67 THR C C 13 172.3 0.1 . 1 . . . . . . . . 5846 1 878 . 1 1 68 68 ASP N N 15 125.4 0.1 . 1 . . . . . . . . 5846 1 879 . 1 1 68 68 ASP H H 1 8.25 0.01 . 1 . . . . . . . . 5846 1 880 . 1 1 68 68 ASP CA C 13 54.1 0.1 . 1 . . . . . . . . 5846 1 881 . 1 1 68 68 ASP HA H 1 4.62 0.01 . 1 . . . . . . . . 5846 1 882 . 1 1 68 68 ASP CB C 13 39.9 0.1 . 1 . . . . . . . . 5846 1 883 . 1 1 68 68 ASP HB2 H 1 2.69 0.01 . 2 . . . . . . . . 5846 1 884 . 1 1 68 68 ASP HB3 H 1 2.91 0.01 . 2 . . . . . . . . 5846 1 885 . 1 1 68 68 ASP C C 13 176.7 0.1 . 1 . . . . . . . . 5846 1 886 . 1 1 69 69 LYS N N 15 124.2 0.1 . 1 . . . . . . . . 5846 1 887 . 1 1 69 69 LYS H H 1 8.54 0.01 . 1 . . . . . . . . 5846 1 888 . 1 1 69 69 LYS CA C 13 54.6 0.1 . 1 . . . . . . . . 5846 1 889 . 1 1 69 69 LYS HA H 1 4.63 0.01 . 1 . . . . . . . . 5846 1 890 . 1 1 69 69 LYS CB C 13 30.5 0.1 . 1 . . . . . . . . 5846 1 891 . 1 1 69 69 LYS HB2 H 1 1.47 0.01 . 2 . . . . . . . . 5846 1 892 . 1 1 69 69 LYS HB3 H 1 2.01 0.01 . 2 . . . . . . . . 5846 1 893 . 1 1 69 69 LYS CG C 13 24.5 0.1 . 1 . . . . . . . . 5846 1 894 . 1 1 69 69 LYS HG2 H 1 1.60 0.01 . 1 . . . . . . . . 5846 1 895 . 1 1 69 69 LYS HG3 H 1 1.60 0.01 . 1 . . . . . . . . 5846 1 896 . 1 1 69 69 LYS CD C 13 30.0 0.1 . 1 . . . . . . . . 5846 1 897 . 1 1 69 69 LYS HD2 H 1 1.69 0.01 . 2 . . . . . . . . 5846 1 898 . 1 1 69 69 LYS HD3 H 1 1.77 0.01 . 2 . . . . . . . . 5846 1 899 . 1 1 69 69 LYS CE C 13 42.3 0.1 . 1 . . . . . . . . 5846 1 900 . 1 1 69 69 LYS HE2 H 1 3.03 0.01 . 1 . . . . . . . . 5846 1 901 . 1 1 69 69 LYS HE3 H 1 3.03 0.01 . 1 . . . . . . . . 5846 1 902 . 1 1 69 69 LYS C C 13 176.4 0.1 . 1 . . . . . . . . 5846 1 903 . 1 1 70 70 GLY N N 15 110.9 0.1 . 1 . . . . . . . . 5846 1 904 . 1 1 70 70 GLY H H 1 8.22 0.01 . 1 . . . . . . . . 5846 1 905 . 1 1 70 70 GLY CA C 13 47.4 0.1 . 1 . . . . . . . . 5846 1 906 . 1 1 70 70 GLY HA2 H 1 3.74 0.01 . 2 . . . . . . . . 5846 1 907 . 1 1 70 70 GLY HA3 H 1 4.08 0.01 . 2 . . . . . . . . 5846 1 908 . 1 1 71 71 HIS CA C 13 57.3 0.1 . 1 . . . . . . . . 5846 1 909 . 1 1 71 71 HIS HA H 1 4.55 0.01 . 1 . . . . . . . . 5846 1 910 . 1 1 71 71 HIS CB C 13 29.1 0.1 . 1 . . . . . . . . 5846 1 911 . 1 1 71 71 HIS HB2 H 1 3.05 0.01 . 2 . . . . . . . . 5846 1 912 . 1 1 71 71 HIS HB3 H 1 3.35 0.01 . 2 . . . . . . . . 5846 1 913 . 1 1 71 71 HIS CD2 C 13 120.3 0.1 . 1 . . . . . . . . 5846 1 914 . 1 1 71 71 HIS CE1 C 13 136.3 0.1 . 1 . . . . . . . . 5846 1 915 . 1 1 71 71 HIS HD2 H 1 7.25 0.01 . 1 . . . . . . . . 5846 1 916 . 1 1 71 71 HIS HE1 H 1 8.25 0.01 . 1 . . . . . . . . 5846 1 917 . 1 1 71 71 HIS C C 13 176.4 0.1 . 1 . . . . . . . . 5846 1 918 . 1 1 72 72 LEU N N 15 119.5 0.1 . 1 . . . . . . . . 5846 1 919 . 1 1 72 72 LEU H H 1 7.57 0.01 . 1 . . . . . . . . 5846 1 920 . 1 1 72 72 LEU CA C 13 54.4 0.1 . 1 . . . . . . . . 5846 1 921 . 1 1 72 72 LEU HA H 1 4.36 0.01 . 1 . . . . . . . . 5846 1 922 . 1 1 72 72 LEU CB C 13 41.0 0.1 . 1 . . . . . . . . 5846 1 923 . 1 1 72 72 LEU HB2 H 1 1.73 0.01 . 2 . . . . . . . . 5846 1 924 . 1 1 72 72 LEU HB3 H 1 1.42 0.01 . 2 . . . . . . . . 5846 1 925 . 1 1 72 72 LEU CG C 13 25.7 0.1 . 1 . . . . . . . . 5846 1 926 . 1 1 72 72 LEU HG H 1 0.43 0.01 . 1 . . . . . . . . 5846 1 927 . 1 1 72 72 LEU HD11 H 1 0.85 0.01 . 2 . . . . . . . . 5846 1 928 . 1 1 72 72 LEU HD12 H 1 0.85 0.01 . 2 . . . . . . . . 5846 1 929 . 1 1 72 72 LEU HD13 H 1 0.85 0.01 . 2 . . . . . . . . 5846 1 930 . 1 1 72 72 LEU HD21 H 1 0.74 0.01 . 2 . . . . . . . . 5846 1 931 . 1 1 72 72 LEU HD22 H 1 0.74 0.01 . 2 . . . . . . . . 5846 1 932 . 1 1 72 72 LEU HD23 H 1 0.74 0.01 . 2 . . . . . . . . 5846 1 933 . 1 1 72 72 LEU CD1 C 13 25.3 0.1 . 1 . . . . . . . . 5846 1 934 . 1 1 72 72 LEU CD2 C 13 21.5 0.1 . 1 . . . . . . . . 5846 1 935 . 1 1 72 72 LEU C C 13 175.9 0.1 . 1 . . . . . . . . 5846 1 936 . 1 1 73 73 ILE N N 15 119.4 0.1 . 1 . . . . . . . . 5846 1 937 . 1 1 73 73 ILE H H 1 7.18 0.01 . 1 . . . . . . . . 5846 1 938 . 1 1 73 73 ILE CA C 13 66.7 0.1 . 1 . . . . . . . . 5846 1 939 . 1 1 73 73 ILE HA H 1 3.78 0.01 . 1 . . . . . . . . 5846 1 940 . 1 1 73 73 ILE CB C 13 35.4 0.1 . 1 . . . . . . . . 5846 1 941 . 1 1 73 73 ILE HB H 1 2.12 0.01 . 1 . . . . . . . . 5846 1 942 . 1 1 73 73 ILE HG21 H 1 0.96 0.01 . 1 . . . . . . . . 5846 1 943 . 1 1 73 73 ILE HG22 H 1 0.96 0.01 . 1 . . . . . . . . 5846 1 944 . 1 1 73 73 ILE HG23 H 1 0.96 0.01 . 1 . . . . . . . . 5846 1 945 . 1 1 73 73 ILE CG2 C 13 17.0 0.1 . 1 . . . . . . . . 5846 1 946 . 1 1 73 73 ILE CG1 C 13 29.9 0.1 . 1 . . . . . . . . 5846 1 947 . 1 1 73 73 ILE HG12 H 1 1.18 0.01 . 2 . . . . . . . . 5846 1 948 . 1 1 73 73 ILE HG13 H 1 1.65 0.01 . 2 . . . . . . . . 5846 1 949 . 1 1 73 73 ILE HD11 H 1 0.95 0.01 . 1 . . . . . . . . 5846 1 950 . 1 1 73 73 ILE HD12 H 1 0.95 0.01 . 1 . . . . . . . . 5846 1 951 . 1 1 73 73 ILE HD13 H 1 0.95 0.01 . 1 . . . . . . . . 5846 1 952 . 1 1 73 73 ILE CD1 C 13 12.4 0.1 . 1 . . . . . . . . 5846 1 953 . 1 1 74 74 PRO CD C 13 49.3 0.1 . 1 . . . . . . . . 5846 1 954 . 1 1 74 74 PRO CA C 13 66.7 0.1 . 1 . . . . . . . . 5846 1 955 . 1 1 74 74 PRO HA H 1 4.29 0.01 . 1 . . . . . . . . 5846 1 956 . 1 1 74 74 PRO CB C 13 30.4 0.1 . 1 . . . . . . . . 5846 1 957 . 1 1 74 74 PRO HB2 H 1 2.05 0.01 . 2 . . . . . . . . 5846 1 958 . 1 1 74 74 PRO HB3 H 1 2.30 0.01 . 2 . . . . . . . . 5846 1 959 . 1 1 74 74 PRO CG C 13 28.4 0.1 . 1 . . . . . . . . 5846 1 960 . 1 1 74 74 PRO HG2 H 1 2.23 0.01 . 2 . . . . . . . . 5846 1 961 . 1 1 74 74 PRO HG3 H 1 1.93 0.01 . 2 . . . . . . . . 5846 1 962 . 1 1 74 74 PRO HD2 H 1 3.60 0.01 . 2 . . . . . . . . 5846 1 963 . 1 1 74 74 PRO HD3 H 1 3.69 0.01 . 2 . . . . . . . . 5846 1 964 . 1 1 74 74 PRO C C 13 180.3 0.1 . 1 . . . . . . . . 5846 1 965 . 1 1 75 75 MET N N 15 119.1 0.1 . 1 . . . . . . . . 5846 1 966 . 1 1 75 75 MET H H 1 8.78 0.01 . 1 . . . . . . . . 5846 1 967 . 1 1 75 75 MET CA C 13 55.6 0.1 . 1 . . . . . . . . 5846 1 968 . 1 1 75 75 MET HA H 1 4.69 0.01 . 1 . . . . . . . . 5846 1 969 . 1 1 75 75 MET CB C 13 29.8 0.1 . 1 . . . . . . . . 5846 1 970 . 1 1 75 75 MET HB2 H 1 1.81 0.01 . 2 . . . . . . . . 5846 1 971 . 1 1 75 75 MET HB3 H 1 2.36 0.01 . 2 . . . . . . . . 5846 1 972 . 1 1 75 75 MET CG C 13 33.2 0.1 . 1 . . . . . . . . 5846 1 973 . 1 1 75 75 MET HG2 H 1 2.66 0.01 . 1 . . . . . . . . 5846 1 974 . 1 1 75 75 MET HG3 H 1 2.66 0.01 . 1 . . . . . . . . 5846 1 975 . 1 1 75 75 MET C C 13 178.7 0.1 . 1 . . . . . . . . 5846 1 976 . 1 1 76 76 LEU N N 15 122.2 0.1 . 1 . . . . . . . . 5846 1 977 . 1 1 76 76 LEU H H 1 8.34 0.01 . 1 . . . . . . . . 5846 1 978 . 1 1 76 76 LEU CA C 13 58.6 0.1 . 1 . . . . . . . . 5846 1 979 . 1 1 76 76 LEU HA H 1 3.90 0.01 . 1 . . . . . . . . 5846 1 980 . 1 1 76 76 LEU CB C 13 41.4 0.1 . 1 . . . . . . . . 5846 1 981 . 1 1 76 76 LEU HB2 H 1 2.04 0.01 . 2 . . . . . . . . 5846 1 982 . 1 1 76 76 LEU HB3 H 1 1.31 0.01 . 2 . . . . . . . . 5846 1 983 . 1 1 76 76 LEU CG C 13 27.0 0.1 . 1 . . . . . . . . 5846 1 984 . 1 1 76 76 LEU HG H 1 1.68 0.01 . 1 . . . . . . . . 5846 1 985 . 1 1 76 76 LEU HD11 H 1 0.77 0.01 . 2 . . . . . . . . 5846 1 986 . 1 1 76 76 LEU HD12 H 1 0.77 0.01 . 2 . . . . . . . . 5846 1 987 . 1 1 76 76 LEU HD13 H 1 0.77 0.01 . 2 . . . . . . . . 5846 1 988 . 1 1 76 76 LEU HD21 H 1 0.73 0.01 . 2 . . . . . . . . 5846 1 989 . 1 1 76 76 LEU HD22 H 1 0.73 0.01 . 2 . . . . . . . . 5846 1 990 . 1 1 76 76 LEU HD23 H 1 0.73 0.01 . 2 . . . . . . . . 5846 1 991 . 1 1 76 76 LEU CD1 C 13 25.7 0.1 . 1 . . . . . . . . 5846 1 992 . 1 1 76 76 LEU CD2 C 13 23.8 0.1 . 1 . . . . . . . . 5846 1 993 . 1 1 76 76 LEU C C 13 179.1 0.1 . 1 . . . . . . . . 5846 1 994 . 1 1 77 77 GLU N N 15 118.1 0.1 . 1 . . . . . . . . 5846 1 995 . 1 1 77 77 GLU H H 1 8.71 0.01 . 1 . . . . . . . . 5846 1 996 . 1 1 77 77 GLU CA C 13 59.4 0.1 . 1 . . . . . . . . 5846 1 997 . 1 1 77 77 GLU HA H 1 4.01 0.01 . 1 . . . . . . . . 5846 1 998 . 1 1 77 77 GLU CB C 13 29.0 0.1 . 1 . . . . . . . . 5846 1 999 . 1 1 77 77 GLU HB2 H 1 2.22 0.01 . 2 . . . . . . . . 5846 1 1000 . 1 1 77 77 GLU HB3 H 1 2.01 0.01 . 2 . . . . . . . . 5846 1 1001 . 1 1 77 77 GLU CG C 13 36.5 0.1 . 1 . . . . . . . . 5846 1 1002 . 1 1 77 77 GLU HG2 H 1 2.24 0.01 . 2 . . . . . . . . 5846 1 1003 . 1 1 77 77 GLU HG3 H 1 2.43 0.01 . 2 . . . . . . . . 5846 1 1004 . 1 1 77 77 GLU C C 13 178.8 0.1 . 1 . . . . . . . . 5846 1 1005 . 1 1 78 78 LYS N N 15 121.7 0.1 . 1 . . . . . . . . 5846 1 1006 . 1 1 78 78 LYS H H 1 7.93 0.01 . 1 . . . . . . . . 5846 1 1007 . 1 1 78 78 LYS CA C 13 60.4 0.1 . 1 . . . . . . . . 5846 1 1008 . 1 1 78 78 LYS HA H 1 3.99 0.01 . 1 . . . . . . . . 5846 1 1009 . 1 1 78 78 LYS CB C 13 32.4 0.1 . 1 . . . . . . . . 5846 1 1010 . 1 1 78 78 LYS HB2 H 1 2.13 0.01 . 1 . . . . . . . . 5846 1 1011 . 1 1 78 78 LYS HB3 H 1 2.13 0.01 . 1 . . . . . . . . 5846 1 1012 . 1 1 78 78 LYS CG C 13 26.1 0.1 . 1 . . . . . . . . 5846 1 1013 . 1 1 78 78 LYS HG2 H 1 1.74 0.01 . 2 . . . . . . . . 5846 1 1014 . 1 1 78 78 LYS HG3 H 1 1.42 0.01 . 2 . . . . . . . . 5846 1 1015 . 1 1 78 78 LYS CD C 13 29.4 0.1 . 1 . . . . . . . . 5846 1 1016 . 1 1 78 78 LYS HD2 H 1 1.74 0.01 . 1 . . . . . . . . 5846 1 1017 . 1 1 78 78 LYS HD3 H 1 1.74 0.01 . 1 . . . . . . . . 5846 1 1018 . 1 1 78 78 LYS CE C 13 41.7 0.1 . 1 . . . . . . . . 5846 1 1019 . 1 1 78 78 LYS HE2 H 1 2.89 0.01 . 1 . . . . . . . . 5846 1 1020 . 1 1 78 78 LYS HE3 H 1 2.89 0.01 . 1 . . . . . . . . 5846 1 1021 . 1 1 78 78 LYS C C 13 179.4 0.1 . 1 . . . . . . . . 5846 1 1022 . 1 1 79 79 ILE N N 15 121.3 0.1 . 1 . . . . . . . . 5846 1 1023 . 1 1 79 79 ILE H H 1 8.18 0.01 . 1 . . . . . . . . 5846 1 1024 . 1 1 79 79 ILE CA C 13 65.3 0.1 . 1 . . . . . . . . 5846 1 1025 . 1 1 79 79 ILE HA H 1 3.49 0.01 . 1 . . . . . . . . 5846 1 1026 . 1 1 79 79 ILE CB C 13 37.8 0.1 . 1 . . . . . . . . 5846 1 1027 . 1 1 79 79 ILE HB H 1 1.75 0.01 . 1 . . . . . . . . 5846 1 1028 . 1 1 79 79 ILE HG21 H 1 0.52 0.01 . 1 . . . . . . . . 5846 1 1029 . 1 1 79 79 ILE HG22 H 1 0.52 0.01 . 1 . . . . . . . . 5846 1 1030 . 1 1 79 79 ILE HG23 H 1 0.52 0.01 . 1 . . . . . . . . 5846 1 1031 . 1 1 79 79 ILE CG2 C 13 17.4 0.1 . 1 . . . . . . . . 5846 1 1032 . 1 1 79 79 ILE CG1 C 13 27.8 0.1 . 1 . . . . . . . . 5846 1 1033 . 1 1 79 79 ILE HG12 H 1 -0.56 0.01 . 2 . . . . . . . . 5846 1 1034 . 1 1 79 79 ILE HG13 H 1 1.41 0.01 . 2 . . . . . . . . 5846 1 1035 . 1 1 79 79 ILE HD11 H 1 0.72 0.01 . 1 . . . . . . . . 5846 1 1036 . 1 1 79 79 ILE HD12 H 1 0.72 0.01 . 1 . . . . . . . . 5846 1 1037 . 1 1 79 79 ILE HD13 H 1 0.72 0.01 . 1 . . . . . . . . 5846 1 1038 . 1 1 79 79 ILE CD1 C 13 14.4 0.1 . 1 . . . . . . . . 5846 1 1039 . 1 1 79 79 ILE C C 13 177.5 0.1 . 1 . . . . . . . . 5846 1 1040 . 1 1 80 80 ARG N N 15 118.2 0.1 . 1 . . . . . . . . 5846 1 1041 . 1 1 80 80 ARG H H 1 8.26 0.01 . 1 . . . . . . . . 5846 1 1042 . 1 1 80 80 ARG CA C 13 59.7 0.1 . 1 . . . . . . . . 5846 1 1043 . 1 1 80 80 ARG HA H 1 3.76 0.01 . 1 . . . . . . . . 5846 1 1044 . 1 1 80 80 ARG CB C 13 30.2 0.1 . 1 . . . . . . . . 5846 1 1045 . 1 1 80 80 ARG HB2 H 1 1.94 0.01 . 1 . . . . . . . . 5846 1 1046 . 1 1 80 80 ARG HB3 H 1 1.94 0.01 . 1 . . . . . . . . 5846 1 1047 . 1 1 80 80 ARG CG C 13 28.0 0.1 . 1 . . . . . . . . 5846 1 1048 . 1 1 80 80 ARG HG2 H 1 1.85 0.01 . 1 . . . . . . . . 5846 1 1049 . 1 1 80 80 ARG HG3 H 1 1.85 0.01 . 1 . . . . . . . . 5846 1 1050 . 1 1 80 80 ARG CD C 13 44.1 0.1 . 1 . . . . . . . . 5846 1 1051 . 1 1 80 80 ARG HD2 H 1 3.10 0.01 . 2 . . . . . . . . 5846 1 1052 . 1 1 80 80 ARG HD3 H 1 3.18 0.01 . 2 . . . . . . . . 5846 1 1053 . 1 1 80 80 ARG C C 13 179.4 0.1 . 1 . . . . . . . . 5846 1 1054 . 1 1 81 81 ARG N N 15 118.6 0.1 . 1 . . . . . . . . 5846 1 1055 . 1 1 81 81 ARG H H 1 8.19 0.01 . 1 . . . . . . . . 5846 1 1056 . 1 1 81 81 ARG CA C 13 58.5 0.1 . 1 . . . . . . . . 5846 1 1057 . 1 1 81 81 ARG HA H 1 4.11 0.01 . 1 . . . . . . . . 5846 1 1058 . 1 1 81 81 ARG CB C 13 30.0 0.1 . 1 . . . . . . . . 5846 1 1059 . 1 1 81 81 ARG HB2 H 1 1.95 0.01 . 2 . . . . . . . . 5846 1 1060 . 1 1 81 81 ARG HB3 H 1 1.99 0.01 . 2 . . . . . . . . 5846 1 1061 . 1 1 81 81 ARG CG C 13 27.6 0.1 . 1 . . . . . . . . 5846 1 1062 . 1 1 81 81 ARG HG2 H 1 1.91 0.01 . 2 . . . . . . . . 5846 1 1063 . 1 1 81 81 ARG HG3 H 1 1.71 0.01 . 2 . . . . . . . . 5846 1 1064 . 1 1 81 81 ARG CD C 13 43.4 0.1 . 1 . . . . . . . . 5846 1 1065 . 1 1 81 81 ARG HD2 H 1 3.22 0.01 . 2 . . . . . . . . 5846 1 1066 . 1 1 81 81 ARG HD3 H 1 3.20 0.01 . 2 . . . . . . . . 5846 1 1067 . 1 1 81 81 ARG C C 13 177.9 0.1 . 1 . . . . . . . . 5846 1 1068 . 1 1 82 82 ALA N N 15 121.3 0.1 . 1 . . . . . . . . 5846 1 1069 . 1 1 82 82 ALA H H 1 7.87 0.01 . 1 . . . . . . . . 5846 1 1070 . 1 1 82 82 ALA CA C 13 53.2 0.1 . 1 . . . . . . . . 5846 1 1071 . 1 1 82 82 ALA HA H 1 4.38 0.01 . 1 . . . . . . . . 5846 1 1072 . 1 1 82 82 ALA HB1 H 1 1.76 0.01 . 1 . . . . . . . . 5846 1 1073 . 1 1 82 82 ALA HB2 H 1 1.76 0.01 . 1 . . . . . . . . 5846 1 1074 . 1 1 82 82 ALA HB3 H 1 1.76 0.01 . 1 . . . . . . . . 5846 1 1075 . 1 1 82 82 ALA CB C 13 18.6 0.1 . 1 . . . . . . . . 5846 1 1076 . 1 1 82 82 ALA C C 13 177.9 0.1 . 1 . . . . . . . . 5846 1 stop_ save_