data_6736 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6736 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Pseudomonas Aeruginosa Protein Pa2021. The Northeast Structural Genomics Consortium Target Pat85. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-07-20 _Entry.Accession_date 2005-07-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Yu-Chieh Lin . . . 6736 2 Gaohua Liu . . . 6736 3 Yang Shen . . . 6736 4 Adelinda Yee . . . 6736 5 Cheryl Arrowsmith . H. . 6736 6 Gaetano Montelione . T. . 6736 7 Thomas Szyperski . . . 6736 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . NESGC . 6736 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6736 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 206 6736 '15N chemical shifts' 71 6736 '1H chemical shifts' 489 6736 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-11-14 2005-07-20 update BMRB 'complete entry citation' 6736 1 . . 2005-10-20 2005-07-20 original author 'original release' 6736 stop_ save_ ############### # Citations # ############### save_NMR_structure_of_PA2021 _Citation.Sf_category citations _Citation.Sf_framecode NMR_structure_of_PA2021 _Citation.Entry_ID 6736 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16927296 _Citation.Full_citation . _Citation.Title 'NMR structure of protein PA2021 from Pseudomonas aeruginosa' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 65 _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 767 _Citation.Page_last 770 _Citation.Year 2006 _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 Yu-Chieh Lin . . . 6736 1 2 Gaohua Liu . . . 6736 1 3 Yang Shen . . . 6736 1 4 C. Bertonati . . . 6736 1 5 Adelinda Yee . . . 6736 1 6 B. Honig . . . 6736 1 7 Cheryl Arrowsmith . . . 6736 1 8 Thomas Szyperski . . . 6736 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6736 _Assembly.ID 1 _Assembly.Name 'NMR structure of PA2021' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'NMR structure of PA2021' 1 $Hypothetical_protein_PA2021 . . yes native no no . . . 6736 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hypothetical_protein_PA2021 _Entity.Sf_category entity _Entity.Sf_framecode Hypothetical_protein_PA2021 _Entity.Entry_ID 6736 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PA2021 _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 ; MGTSHHHHHHSSGRENLYFQ GHMSIEIDSEQGVCSVEIEG SRHRAPVDSLRIGTDAEARL SVLYIDGKRLHISEEDAQRL VVAGAEDQRRHLMADD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1YWY . "Solution Structure Of Pseudomonas Aeruginosa Protein Pa2021. The Northeast Structural Genomics Consortium Target Pat85." . . . . . 77.08 74 100.00 100.00 5.09e-43 . . . . 6736 1 2 no DBJ BAK89844 . "hypothetical protein NCGM2_2996 [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 77.08 74 98.65 100.00 8.67e-43 . . . . 6736 1 3 no DBJ BAP23545 . "hypothetical protein NCGM1900_4465 [Pseudomonas aeruginosa]" . . . . . 77.08 74 98.65 100.00 8.67e-43 . . . . 6736 1 4 no DBJ BAP51149 . "hypothetical protein NCGM1984_3179 [Pseudomonas aeruginosa]" . . . . . 77.08 74 98.65 100.00 8.67e-43 . . . . 6736 1 5 no DBJ GAA17576 . "hypothetical protein NCGM1179_2407 [Pseudomonas aeruginosa NCMG1179]" . . . . . 77.08 74 100.00 100.00 5.09e-43 . . . . 6736 1 6 no DBJ GAJ53932 . "hypothetical protein RBRAMI_2820 [Pseudomonas aeruginosa RB]" . . . . . 77.08 74 100.00 100.00 5.09e-43 . . . . 6736 1 7 no EMBL CAW28029 . "hypothetical protein PLES_33021 [Pseudomonas aeruginosa LESB58]" . . . . . 77.08 74 98.65 100.00 2.09e-42 . . . . 6736 1 8 no EMBL CCQ85418 . "hypothetical protein PA18A_2009 [Pseudomonas aeruginosa 18A]" . . . . . 77.08 74 100.00 100.00 5.09e-43 . . . . 6736 1 9 no EMBL CDH71317 . "hypothetical protein P38_3065 [Pseudomonas aeruginosa MH38]" . . . . . 77.08 74 100.00 100.00 5.09e-43 . . . . 6736 1 10 no EMBL CDH77600 . "hypothetical protein PAMH27_3207 [Pseudomonas aeruginosa MH27]" . . . . . 77.08 74 98.65 100.00 8.67e-43 . . . . 6736 1 11 no EMBL CDI90261 . "hypothetical protein BN889_02203 [Pseudomonas aeruginosa PA38182]" . . . . . 77.08 74 100.00 100.00 5.09e-43 . . . . 6736 1 12 no GB AAG05409 . "hypothetical protein PA2021 [Pseudomonas aeruginosa PAO1]" . . . . . 77.08 74 100.00 100.00 5.09e-43 . . . . 6736 1 13 no GB ABJ11207 . "conserved hypothetical protein [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 77.08 74 98.65 100.00 8.67e-43 . . . . 6736 1 14 no GB AEO75506 . "hypothetical protein PAM18_3023 [Pseudomonas aeruginosa M18]" . . . . . 77.08 74 98.65 100.00 1.56e-42 . . . . 6736 1 15 no GB AFM65387 . "hypothetical protein PADK2_15540 [Pseudomonas aeruginosa DK2]" . . . . . 77.08 74 100.00 100.00 5.09e-43 . . . . 6736 1 16 no GB AGI81918 . "hypothetical protein G655_14995 [Pseudomonas aeruginosa B136-33]" . . . . . 77.08 74 98.65 100.00 8.67e-43 . . . . 6736 1 17 no REF NP_250711 . "hypothetical protein PA2021 [Pseudomonas aeruginosa PAO1]" . . . . . 77.08 74 100.00 100.00 5.09e-43 . . . . 6736 1 18 no REF WP_003088627 . "MULTISPECIES: hypothetical protein [Pseudomonas]" . . . . . 77.08 74 98.65 100.00 8.67e-43 . . . . 6736 1 19 no REF WP_003100372 . "MULTISPECIES: hypothetical protein [Pseudomonas]" . . . . . 77.08 74 100.00 100.00 5.09e-43 . . . . 6736 1 20 no REF WP_003120203 . "hypothetical protein [Pseudomonas aeruginosa]" . . . . . 77.08 74 98.65 100.00 2.09e-42 . . . . 6736 1 21 no REF WP_014602995 . "hypothetical protein [Pseudomonas aeruginosa]" . . . . . 77.08 74 98.65 100.00 1.56e-42 . . . . 6736 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 . 6736 1 2 . GLY . 6736 1 3 . THR . 6736 1 4 . SER . 6736 1 5 . HIS . 6736 1 6 . HIS . 6736 1 7 . HIS . 6736 1 8 . HIS . 6736 1 9 . HIS . 6736 1 10 . HIS . 6736 1 11 . SER . 6736 1 12 . SER . 6736 1 13 . GLY . 6736 1 14 . ARG . 6736 1 15 . GLU . 6736 1 16 . ASN . 6736 1 17 . LEU . 6736 1 18 . TYR . 6736 1 19 . PHE . 6736 1 20 . GLN . 6736 1 21 . GLY . 6736 1 22 . HIS . 6736 1 23 . MET . 6736 1 24 . SER . 6736 1 25 . ILE . 6736 1 26 . GLU . 6736 1 27 . ILE . 6736 1 28 . ASP . 6736 1 29 . SER . 6736 1 30 . GLU . 6736 1 31 . GLN . 6736 1 32 . GLY . 6736 1 33 . VAL . 6736 1 34 . CYS . 6736 1 35 . SER . 6736 1 36 . VAL . 6736 1 37 . GLU . 6736 1 38 . ILE . 6736 1 39 . GLU . 6736 1 40 . GLY . 6736 1 41 . SER . 6736 1 42 . ARG . 6736 1 43 . HIS . 6736 1 44 . ARG . 6736 1 45 . ALA . 6736 1 46 . PRO . 6736 1 47 . VAL . 6736 1 48 . ASP . 6736 1 49 . SER . 6736 1 50 . LEU . 6736 1 51 . ARG . 6736 1 52 . ILE . 6736 1 53 . GLY . 6736 1 54 . THR . 6736 1 55 . ASP . 6736 1 56 . ALA . 6736 1 57 . GLU . 6736 1 58 . ALA . 6736 1 59 . ARG . 6736 1 60 . LEU . 6736 1 61 . SER . 6736 1 62 . VAL . 6736 1 63 . LEU . 6736 1 64 . TYR . 6736 1 65 . ILE . 6736 1 66 . ASP . 6736 1 67 . GLY . 6736 1 68 . LYS . 6736 1 69 . ARG . 6736 1 70 . LEU . 6736 1 71 . HIS . 6736 1 72 . ILE . 6736 1 73 . SER . 6736 1 74 . GLU . 6736 1 75 . GLU . 6736 1 76 . ASP . 6736 1 77 . ALA . 6736 1 78 . GLN . 6736 1 79 . ARG . 6736 1 80 . LEU . 6736 1 81 . VAL . 6736 1 82 . VAL . 6736 1 83 . ALA . 6736 1 84 . GLY . 6736 1 85 . ALA . 6736 1 86 . GLU . 6736 1 87 . ASP . 6736 1 88 . GLN . 6736 1 89 . ARG . 6736 1 90 . ARG . 6736 1 91 . HIS . 6736 1 92 . LEU . 6736 1 93 . MET . 6736 1 94 . ALA . 6736 1 95 . ASP . 6736 1 96 . ASP . 6736 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 6736 1 . GLY 2 2 6736 1 . THR 3 3 6736 1 . SER 4 4 6736 1 . HIS 5 5 6736 1 . HIS 6 6 6736 1 . HIS 7 7 6736 1 . HIS 8 8 6736 1 . HIS 9 9 6736 1 . HIS 10 10 6736 1 . SER 11 11 6736 1 . SER 12 12 6736 1 . GLY 13 13 6736 1 . ARG 14 14 6736 1 . GLU 15 15 6736 1 . ASN 16 16 6736 1 . LEU 17 17 6736 1 . TYR 18 18 6736 1 . PHE 19 19 6736 1 . GLN 20 20 6736 1 . GLY 21 21 6736 1 . HIS 22 22 6736 1 . MET 23 23 6736 1 . SER 24 24 6736 1 . ILE 25 25 6736 1 . GLU 26 26 6736 1 . ILE 27 27 6736 1 . ASP 28 28 6736 1 . SER 29 29 6736 1 . GLU 30 30 6736 1 . GLN 31 31 6736 1 . GLY 32 32 6736 1 . VAL 33 33 6736 1 . CYS 34 34 6736 1 . SER 35 35 6736 1 . VAL 36 36 6736 1 . GLU 37 37 6736 1 . ILE 38 38 6736 1 . GLU 39 39 6736 1 . GLY 40 40 6736 1 . SER 41 41 6736 1 . ARG 42 42 6736 1 . HIS 43 43 6736 1 . ARG 44 44 6736 1 . ALA 45 45 6736 1 . PRO 46 46 6736 1 . VAL 47 47 6736 1 . ASP 48 48 6736 1 . SER 49 49 6736 1 . LEU 50 50 6736 1 . ARG 51 51 6736 1 . ILE 52 52 6736 1 . GLY 53 53 6736 1 . THR 54 54 6736 1 . ASP 55 55 6736 1 . ALA 56 56 6736 1 . GLU 57 57 6736 1 . ALA 58 58 6736 1 . ARG 59 59 6736 1 . LEU 60 60 6736 1 . SER 61 61 6736 1 . VAL 62 62 6736 1 . LEU 63 63 6736 1 . TYR 64 64 6736 1 . ILE 65 65 6736 1 . ASP 66 66 6736 1 . GLY 67 67 6736 1 . LYS 68 68 6736 1 . ARG 69 69 6736 1 . LEU 70 70 6736 1 . HIS 71 71 6736 1 . ILE 72 72 6736 1 . SER 73 73 6736 1 . GLU 74 74 6736 1 . GLU 75 75 6736 1 . ASP 76 76 6736 1 . ALA 77 77 6736 1 . GLN 78 78 6736 1 . ARG 79 79 6736 1 . LEU 80 80 6736 1 . VAL 81 81 6736 1 . VAL 82 82 6736 1 . ALA 83 83 6736 1 . GLY 84 84 6736 1 . ALA 85 85 6736 1 . GLU 86 86 6736 1 . ASP 87 87 6736 1 . GLN 88 88 6736 1 . ARG 89 89 6736 1 . ARG 90 90 6736 1 . HIS 91 91 6736 1 . LEU 92 92 6736 1 . MET 93 93 6736 1 . ALA 94 94 6736 1 . ASP 95 95 6736 1 . ASP 96 96 6736 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 6736 _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 $Hypothetical_protein_PA2021 . 287 organism no . 'Pseudomonas aeruginosa' . . Eubacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . . . . . . . . . 6736 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 6736 _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 $Hypothetical_protein_PA2021 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6736 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_PA2021 _Sample.Sf_category sample _Sample.Sf_framecode PA2021 _Sample.Entry_ID 6736 _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 PA2021 '[U-13C; U-15N]' 1 $assembly 1 $Hypothetical_protein_PA2021 . . 0.6 . . mM . . . . 6736 1 stop_ save_ ####################### # Sample conditions # ####################### save_solution _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode solution _Sample_condition_list.Entry_ID 6736 _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 0.1 pH 6736 1 temperature 298 . K 6736 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_750MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750MHz_spectrometer _NMR_spectrometer.Entry_ID 6736 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6736 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6736 _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 '1H15N HSQC' no 1 $1H15N_HSQC . . . . . . . . 1 $PA2021 . . . 1 $solution . . . . . . . . . . . . . . . . . . . . . 6736 1 2 '1H13C HSQC' no 1 $1H15N_HSQC . . . . . . . . 1 $PA2021 . . . 1 $solution . . . . . . . . . . . . . . . . . . . . . 6736 1 3 CBCAcoNH no 1 $1H15N_HSQC . . . . . . . . 1 $PA2021 . . . 1 $solution . . . . . . . . . . . . . . . . . . . . . 6736 1 4 HNCACB no 1 $1H15N_HSQC . . . . . . . . 1 $PA2021 . . . 1 $solution . . . . . . . . . . . . . . . . . . . . . 6736 1 5 HNCA no 1 $1H15N_HSQC . . . . . . . . 1 $PA2021 . . . 1 $solution . . . . . . . . . . . . . . . . . . . . . 6736 1 6 CAcoNH no 1 $1H15N_HSQC . . . . . . . . 1 $PA2021 . . . 1 $solution . . . . . . . . . . . . . . . . . . . . . 6736 1 7 GFT-HNCAHA no 1 $1H15N_HSQC . . . . . . . . 1 $PA2021 . . . 1 $solution . . . . . . . . . . . . . . . . . . . . . 6736 1 8 GFT-HCCHCOSY no 1 $1H15N_HSQC . . . . . . . . 1 $PA2021 . . . 1 $solution . . . . . . . . . . . . . . . . . . . . . 6736 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6736 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_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_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6736 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . . . . . 6736 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6736 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 6736 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6736 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $solution _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 '1H15N HSQC' 1 $PA2021 isotropic 6736 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 14 14 ARG HG2 H 1 1.50 0.01 . 2 . . . . 14 ARG HG2 . 6736 1 2 . 1 1 14 14 ARG HG3 H 1 1.60 0.01 . 2 . . . . 14 ARG HG3 . 6736 1 3 . 1 1 14 14 ARG HD2 H 1 3.00 0.01 . 2 . . . . 14 ARG HD2 . 6736 1 4 . 1 1 14 14 ARG HD3 H 1 3.10 0.01 . 2 . . . . 14 ARG HD3 . 6736 1 5 . 1 1 14 14 ARG CG C 13 27.3 0.2 . 1 . . . . 14 ARG CG . 6736 1 6 . 1 1 14 14 ARG CD C 13 43.4 0.2 . 1 . . . . 14 ARG CD . 6736 1 7 . 1 1 16 16 ASN HB2 H 1 2.77 0.01 . 1 . . . . 16 ASN HB2 . 6736 1 8 . 1 1 16 16 ASN HB3 H 1 2.77 0.01 . 1 . . . . 16 ASN HB3 . 6736 1 9 . 1 1 18 18 TYR H H 1 8.04 0.01 . 1 . . . . 18 TYR HN . 6736 1 10 . 1 1 18 18 TYR HB2 H 1 2.88 0.01 . 1 . . . . 18 TYR HB2 . 6736 1 11 . 1 1 18 18 TYR HB3 H 1 2.88 0.01 . 1 . . . . 18 TYR HB3 . 6736 1 12 . 1 1 18 18 TYR N N 15 119.3 0.2 . 1 . . . . 18 TYR N . 6736 1 13 . 1 1 22 22 HIS H H 1 8.29 0.01 . 1 . . . . 22 HIS HN . 6736 1 14 . 1 1 22 22 HIS HB2 H 1 3.13 0.01 . 1 . . . . 22 HIS HB2 . 6736 1 15 . 1 1 22 22 HIS HB3 H 1 3.13 0.01 . 1 . . . . 22 HIS HB3 . 6736 1 16 . 1 1 22 22 HIS N N 15 122.1 0.2 . 1 . . . . 22 HIS N . 6736 1 17 . 1 1 23 23 MET H H 1 8.27 0.01 . 1 . . . . 23 MET HN . 6736 1 18 . 1 1 23 23 MET HA H 1 4.90 0.01 . 1 . . . . 23 MET HA . 6736 1 19 . 1 1 23 23 MET HB2 H 1 2.03 0.01 . 1 . . . . 23 MET HB2 . 6736 1 20 . 1 1 23 23 MET HB3 H 1 2.03 0.01 . 1 . . . . 23 MET HB3 . 6736 1 21 . 1 1 23 23 MET HG2 H 1 2.44 0.01 . 1 . . . . 23 MET HG2 . 6736 1 22 . 1 1 23 23 MET HG3 H 1 2.44 0.01 . 1 . . . . 23 MET HG3 . 6736 1 23 . 1 1 23 23 MET CA C 13 54.7 0.2 . 1 . . . . 23 MET CA . 6736 1 24 . 1 1 23 23 MET CB C 13 34.6 0.2 . 1 . . . . 23 MET CB . 6736 1 25 . 1 1 23 23 MET CG C 13 31.4 0.2 . 1 . . . . 23 MET CG . 6736 1 26 . 1 1 23 23 MET N N 15 122.0 0.2 . 1 . . . . 23 MET N . 6736 1 27 . 1 1 24 24 SER H H 1 8.56 0.01 . 1 . . . . 24 SER HN . 6736 1 28 . 1 1 24 24 SER HA H 1 4.76 0.01 . 1 . . . . 24 SER HA . 6736 1 29 . 1 1 24 24 SER HB2 H 1 3.85 0.01 . 1 . . . . 24 SER HB2 . 6736 1 30 . 1 1 24 24 SER HB3 H 1 3.85 0.01 . 1 . . . . 24 SER HB3 . 6736 1 31 . 1 1 24 24 SER N N 15 117.9 0.2 . 1 . . . . 24 SER N . 6736 1 32 . 1 1 25 25 ILE H H 1 8.69 0.01 . 1 . . . . 25 ILE HN . 6736 1 33 . 1 1 25 25 ILE HA H 1 4.64 0.01 . 1 . . . . 25 ILE HA . 6736 1 34 . 1 1 25 25 ILE HB H 1 1.62 0.01 . 1 . . . . 25 ILE HB . 6736 1 35 . 1 1 25 25 ILE HG12 H 1 1.48 0.01 . 2 . . . . 25 ILE HG12 . 6736 1 36 . 1 1 25 25 ILE HG13 H 1 0.96 0.01 . 2 . . . . 25 ILE HG13 . 6736 1 37 . 1 1 25 25 ILE HG21 H 1 0.75 0.01 . 1 . . . . 25 ILE HG2 . 6736 1 38 . 1 1 25 25 ILE HG22 H 1 0.75 0.01 . 1 . . . . 25 ILE HG2 . 6736 1 39 . 1 1 25 25 ILE HG23 H 1 0.75 0.01 . 1 . . . . 25 ILE HG2 . 6736 1 40 . 1 1 25 25 ILE HD11 H 1 0.75 0.01 . 1 . . . . 25 ILE HD1 . 6736 1 41 . 1 1 25 25 ILE HD12 H 1 0.75 0.01 . 1 . . . . 25 ILE HD1 . 6736 1 42 . 1 1 25 25 ILE HD13 H 1 0.75 0.01 . 1 . . . . 25 ILE HD1 . 6736 1 43 . 1 1 25 25 ILE CA C 13 62.2 0.2 . 1 . . . . 25 ILE CA . 6736 1 44 . 1 1 25 25 ILE CB C 13 39.5 0.2 . 1 . . . . 25 ILE CB . 6736 1 45 . 1 1 25 25 ILE CG1 C 13 27.5 0.2 . 1 . . . . 25 ILE CG1 . 6736 1 46 . 1 1 25 25 ILE CG2 C 13 16.9 0.2 . 1 . . . . 25 ILE CG2 . 6736 1 47 . 1 1 25 25 ILE CD1 C 13 13.6 0.2 . 1 . . . . 25 ILE CD1 . 6736 1 48 . 1 1 25 25 ILE N N 15 124.0 0.2 . 1 . . . . 25 ILE N . 6736 1 49 . 1 1 26 26 GLU H H 1 8.87 0.01 . 1 . . . . 26 GLU HN . 6736 1 50 . 1 1 26 26 GLU HA H 1 4.73 0.01 . 1 . . . . 26 GLU HA . 6736 1 51 . 1 1 26 26 GLU HB2 H 1 2.03 0.01 . 2 . . . . 26 GLU HB2 . 6736 1 52 . 1 1 26 26 GLU HB3 H 1 1.94 0.01 . 2 . . . . 26 GLU HB3 . 6736 1 53 . 1 1 26 26 GLU HG2 H 1 2.12 0.01 . 2 . . . . 26 GLU HG2 . 6736 1 54 . 1 1 26 26 GLU HG3 H 1 2.23 0.01 . 2 . . . . 26 GLU HG3 . 6736 1 55 . 1 1 26 26 GLU CB C 13 32.3 0.2 . 1 . . . . 26 GLU CB . 6736 1 56 . 1 1 26 26 GLU CG C 13 36.0 0.2 . 1 . . . . 26 GLU CG . 6736 1 57 . 1 1 26 26 GLU N N 15 127.2 0.2 . 1 . . . . 26 GLU N . 6736 1 58 . 1 1 27 27 ILE H H 1 8.88 0.01 . 1 . . . . 27 ILE HN . 6736 1 59 . 1 1 27 27 ILE HA H 1 4.39 0.01 . 1 . . . . 27 ILE HA . 6736 1 60 . 1 1 27 27 ILE HB H 1 1.74 0.01 . 1 . . . . 27 ILE HB . 6736 1 61 . 1 1 27 27 ILE HG12 H 1 0.72 0.01 . 1 . . . . 27 ILE HG12 . 6736 1 62 . 1 1 27 27 ILE HG13 H 1 1.48 0.01 . 1 . . . . 27 ILE HG13 . 6736 1 63 . 1 1 27 27 ILE HG21 H 1 0.66 0.01 . 1 . . . . 27 ILE HG2 . 6736 1 64 . 1 1 27 27 ILE HG22 H 1 0.66 0.01 . 1 . . . . 27 ILE HG2 . 6736 1 65 . 1 1 27 27 ILE HG23 H 1 0.66 0.01 . 1 . . . . 27 ILE HG2 . 6736 1 66 . 1 1 27 27 ILE HD11 H 1 0.71 0.01 . 1 . . . . 27 ILE HD1 . 6736 1 67 . 1 1 27 27 ILE HD12 H 1 0.71 0.01 . 1 . . . . 27 ILE HD1 . 6736 1 68 . 1 1 27 27 ILE HD13 H 1 0.71 0.01 . 1 . . . . 27 ILE HD1 . 6736 1 69 . 1 1 27 27 ILE CA C 13 60.5 0.2 . 1 . . . . 27 ILE CA . 6736 1 70 . 1 1 27 27 ILE CB C 13 40.1 0.2 . 1 . . . . 27 ILE CB . 6736 1 71 . 1 1 27 27 ILE CG1 C 13 27.87 0.2 . 1 . . . . 27 ILE CG1 . 6736 1 72 . 1 1 27 27 ILE CG2 C 13 16.7 0.2 . 1 . . . . 27 ILE CG2 . 6736 1 73 . 1 1 27 27 ILE CD1 C 13 16.7 0.2 . 1 . . . . 27 ILE CD1 . 6736 1 74 . 1 1 27 27 ILE N N 15 124.6 0.2 . 1 . . . . 27 ILE N . 6736 1 75 . 1 1 28 28 ASP H H 1 8.75 0.01 . 1 . . . . 28 ASP HN . 6736 1 76 . 1 1 28 28 ASP HA H 1 4.97 0.01 . 1 . . . . 28 ASP HA . 6736 1 77 . 1 1 28 28 ASP HB2 H 1 2.59 0.01 . 2 . . . . 28 ASP HB2 . 6736 1 78 . 1 1 28 28 ASP HB3 H 1 2.93 0.01 . 2 . . . . 28 ASP HB3 . 6736 1 79 . 1 1 28 28 ASP CA C 13 52.0 0.2 . 1 . . . . 28 ASP CA . 6736 1 80 . 1 1 28 28 ASP CB C 13 40.8 0.2 . 1 . . . . 28 ASP CB . 6736 1 81 . 1 1 28 28 ASP N N 15 127.7 0.2 . 1 . . . . 28 ASP N . 6736 1 82 . 1 1 29 29 SER HA H 1 4.22 0.01 . 1 . . . . 29 SER HA . 6736 1 83 . 1 1 29 29 SER HB2 H 1 4.01 0.01 . 2 . . . . 29 SER HB2 . 6736 1 84 . 1 1 29 29 SER CA C 13 61.0 0.2 . 1 . . . . 29 SER CA . 6736 1 85 . 1 1 30 30 GLU H H 1 8.41 0.01 . 1 . . . . 30 GLU HN . 6736 1 86 . 1 1 30 30 GLU HA H 1 4.23 0.01 . 1 . . . . 30 GLU HA . 6736 1 87 . 1 1 30 30 GLU HB2 H 1 2.19 0.01 . 1 . . . . 30 GLU HB2 . 6736 1 88 . 1 1 30 30 GLU HB3 H 1 2.19 0.01 . 1 . . . . 30 GLU HB3 . 6736 1 89 . 1 1 30 30 GLU HG2 H 1 2.29 0.01 . 1 . . . . 30 GLU HG2 . 6736 1 90 . 1 1 30 30 GLU HG3 H 1 2.29 0.01 . 1 . . . . 30 GLU HG3 . 6736 1 91 . 1 1 30 30 GLU CA C 13 58.7 0.2 . 1 . . . . 30 GLU CA . 6736 1 92 . 1 1 30 30 GLU CB C 13 29.7 0.2 . 1 . . . . 30 GLU CB . 6736 1 93 . 1 1 30 30 GLU CG C 13 36.5 0.2 . 1 . . . . 30 GLU CG . 6736 1 94 . 1 1 30 30 GLU N N 15 122.6 0.2 . 1 . . . . 30 GLU N . 6736 1 95 . 1 1 31 31 GLN H H 1 7.88 0.01 . 1 . . . . 31 GLN HN . 6736 1 96 . 1 1 31 31 GLN HA H 1 4.37 0.01 . 1 . . . . 31 GLN HA . 6736 1 97 . 1 1 31 31 GLN HB2 H 1 1.68 0.01 . 2 . . . . 31 GLN HB2 . 6736 1 98 . 1 1 31 31 GLN HB3 H 1 2.21 0.01 . 2 . . . . 31 GLN HB3 . 6736 1 99 . 1 1 31 31 GLN HG2 H 1 2.48 0.01 . 2 . . . . 31 GLN HG2 . 6736 1 100 . 1 1 31 31 GLN HG3 H 1 2.31 0.01 . 2 . . . . 31 GLN HG3 . 6736 1 101 . 1 1 31 31 GLN HE21 H 1 6.83 0.01 . 2 . . . . 31 GLN HE21 . 6736 1 102 . 1 1 31 31 GLN HE22 H 1 7.68 0.01 . 2 . . . . 31 GLN HE22 . 6736 1 103 . 1 1 31 31 GLN CA C 13 55.4 0.2 . 1 . . . . 31 GLN CA . 6736 1 104 . 1 1 31 31 GLN CB C 13 30.1 0.2 . 1 . . . . 31 GLN CB . 6736 1 105 . 1 1 31 31 GLN CG C 13 34.2 0.2 . 1 . . . . 31 GLN CG . 6736 1 106 . 1 1 31 31 GLN N N 15 114.7 0.2 . 1 . . . . 31 GLN N . 6736 1 107 . 1 1 31 31 GLN NE2 N 15 112.3 0.2 . 1 . . . . 31 GLN NE2 . 6736 1 108 . 1 1 32 32 GLY H H 1 8.20 0.01 . 1 . . . . 32 GLY HN . 6736 1 109 . 1 1 32 32 GLY HA2 H 1 4.07 0.01 . 2 . . . . 32 GLY HA1 . 6736 1 110 . 1 1 32 32 GLY HA3 H 1 3.95 0.01 . 2 . . . . 32 GLY HA2 . 6736 1 111 . 1 1 32 32 GLY CA C 13 46.6 0.2 . 1 . . . . 32 GLY CA . 6736 1 112 . 1 1 32 32 GLY N N 15 109.2 0.2 . 1 . . . . 32 GLY N . 6736 1 113 . 1 1 33 33 VAL H H 1 7.68 0.01 . 1 . . . . 33 VAL HN . 6736 1 114 . 1 1 33 33 VAL HA H 1 4.63 0.01 . 1 . . . . 33 VAL HA . 6736 1 115 . 1 1 33 33 VAL HB H 1 1.77 0.01 . 1 . . . . 33 VAL HB . 6736 1 116 . 1 1 33 33 VAL HG11 H 1 0.79 0.01 . 2 . . . . 33 VAL HG1 . 6736 1 117 . 1 1 33 33 VAL HG12 H 1 0.79 0.01 . 2 . . . . 33 VAL HG1 . 6736 1 118 . 1 1 33 33 VAL HG13 H 1 0.79 0.01 . 2 . . . . 33 VAL HG1 . 6736 1 119 . 1 1 33 33 VAL HG21 H 1 0.81 0.01 . 2 . . . . 33 VAL HG2 . 6736 1 120 . 1 1 33 33 VAL HG22 H 1 0.81 0.01 . 2 . . . . 33 VAL HG2 . 6736 1 121 . 1 1 33 33 VAL HG23 H 1 0.81 0.01 . 2 . . . . 33 VAL HG2 . 6736 1 122 . 1 1 33 33 VAL CB C 13 36.4 0.2 . 1 . . . . 33 VAL CB . 6736 1 123 . 1 1 33 33 VAL CG1 C 13 20.9 0.2 . 1 . . . . 33 VAL CG1 . 6736 1 124 . 1 1 33 33 VAL CG2 C 13 20.9 0.2 . 1 . . . . 33 VAL CG2 . 6736 1 125 . 1 1 33 33 VAL N N 15 117.0 0.2 . 1 . . . . 33 VAL N . 6736 1 126 . 1 1 34 34 CYS H H 1 9.05 0.01 . 1 . . . . 34 CYS HN . 6736 1 127 . 1 1 34 34 CYS HA H 1 5.27 0.01 . 1 . . . . 34 CYS HA . 6736 1 128 . 1 1 34 34 CYS HB2 H 1 2.62 0.01 . 2 . . . . 34 CYS HB2 . 6736 1 129 . 1 1 34 34 CYS HB3 H 1 2.50 0.01 . 2 . . . . 34 CYS HB3 . 6736 1 130 . 1 1 34 34 CYS CA C 13 55.6 0.2 . 1 . . . . 34 CYS CA . 6736 1 131 . 1 1 34 34 CYS CB C 13 30.2 0.2 . 1 . . . . 34 CYS CB . 6736 1 132 . 1 1 34 34 CYS N N 15 125.5 0.2 . 1 . . . . 34 CYS N . 6736 1 133 . 1 1 35 35 SER H H 1 9.04 0.01 . 1 . . . . 35 SER HN . 6736 1 134 . 1 1 35 35 SER HA H 1 5.58 0.01 . 1 . . . . 35 SER HA . 6736 1 135 . 1 1 35 35 SER HB2 H 1 3.71 0.01 . 2 . . . . 35 SER HB2 . 6736 1 136 . 1 1 35 35 SER HB3 H 1 3.67 0.01 . 2 . . . . 35 SER HB3 . 6736 1 137 . 1 1 35 35 SER CA C 13 56.6 0.2 . 1 . . . . 35 SER CA . 6736 1 138 . 1 1 35 35 SER CB C 13 65.0 0.2 . 1 . . . . 35 SER CB . 6736 1 139 . 1 1 35 35 SER N N 15 121.6 0.2 . 1 . . . . 35 SER N . 6736 1 140 . 1 1 36 36 VAL H H 1 9.11 0.01 . 1 . . . . 36 VAL HN . 6736 1 141 . 1 1 36 36 VAL HA H 1 4.89 0.01 . 1 . . . . 36 VAL HA . 6736 1 142 . 1 1 36 36 VAL HB H 1 1.96 0.01 . 1 . . . . 36 VAL HB . 6736 1 143 . 1 1 36 36 VAL HG11 H 1 0.82 0.01 . 2 . . . . 36 VAL HG1 . 6736 1 144 . 1 1 36 36 VAL HG12 H 1 0.82 0.01 . 2 . . . . 36 VAL HG1 . 6736 1 145 . 1 1 36 36 VAL HG13 H 1 0.82 0.01 . 2 . . . . 36 VAL HG1 . 6736 1 146 . 1 1 36 36 VAL HG21 H 1 0.81 0.01 . 2 . . . . 36 VAL HG2 . 6736 1 147 . 1 1 36 36 VAL HG22 H 1 0.81 0.01 . 2 . . . . 36 VAL HG2 . 6736 1 148 . 1 1 36 36 VAL HG23 H 1 0.81 0.01 . 2 . . . . 36 VAL HG2 . 6736 1 149 . 1 1 36 36 VAL CA C 13 61.96 0.2 . 1 . . . . 36 VAL CA . 6736 1 150 . 1 1 36 36 VAL CB C 13 35.1 0.2 . 1 . . . . 36 VAL CB . 6736 1 151 . 1 1 36 36 VAL CG1 C 13 21.0 0.2 . 1 . . . . 36 VAL CG1 . 6736 1 152 . 1 1 36 36 VAL CG2 C 13 20.9 0.2 . 1 . . . . 36 VAL CG2 . 6736 1 153 . 1 1 36 36 VAL N N 15 123.2 0.2 . 1 . . . . 36 VAL N . 6736 1 154 . 1 1 37 37 GLU H H 1 8.77 0.01 . 1 . . . . 37 GLU HN . 6736 1 155 . 1 1 37 37 GLU HA H 1 5.11 0.01 . 1 . . . . 37 GLU HA . 6736 1 156 . 1 1 37 37 GLU HB2 H 1 2.05 0.01 . 2 . . . . 37 GLU HB2 . 6736 1 157 . 1 1 37 37 GLU HB3 H 1 1.86 0.01 . 2 . . . . 37 GLU HB3 . 6736 1 158 . 1 1 37 37 GLU HG2 H 1 2.00 0.01 . 2 . . . . 37 GLU HG2 . 6736 1 159 . 1 1 37 37 GLU HG3 H 1 2.08 0.01 . 2 . . . . 37 GLU HG3 . 6736 1 160 . 1 1 37 37 GLU CA C 13 55.1 0.2 . 1 . . . . 37 GLU CA . 6736 1 161 . 1 1 37 37 GLU CB C 13 31.4 0.2 . 1 . . . . 37 GLU CB . 6736 1 162 . 1 1 37 37 GLU CG C 13 36.4 0.2 . 1 . . . . 37 GLU CG . 6736 1 163 . 1 1 37 37 GLU N N 15 127.2 0.2 . 1 . . . . 37 GLU N . 6736 1 164 . 1 1 38 38 ILE H H 1 8.77 0.01 . 1 . . . . 38 ILE HN . 6736 1 165 . 1 1 38 38 ILE HA H 1 4.56 0.01 . 1 . . . . 38 ILE HA . 6736 1 166 . 1 1 38 38 ILE HB H 1 1.78 0.01 . 1 . . . . 38 ILE HB . 6736 1 167 . 1 1 38 38 ILE HG12 H 1 0.84 0.01 . 2 . . . . 38 ILE HG12 . 6736 1 168 . 1 1 38 38 ILE HG13 H 1 1.47 0.01 . 2 . . . . 38 ILE HG13 . 6736 1 169 . 1 1 38 38 ILE HG21 H 1 0.83 0.01 . 1 . . . . 38 ILE HG2 . 6736 1 170 . 1 1 38 38 ILE HG22 H 1 0.83 0.01 . 1 . . . . 38 ILE HG2 . 6736 1 171 . 1 1 38 38 ILE HG23 H 1 0.83 0.01 . 1 . . . . 38 ILE HG2 . 6736 1 172 . 1 1 38 38 ILE HD11 H 1 0.87 0.01 . 1 . . . . 38 ILE HD1 . 6736 1 173 . 1 1 38 38 ILE HD12 H 1 0.87 0.01 . 1 . . . . 38 ILE HD1 . 6736 1 174 . 1 1 38 38 ILE HD13 H 1 0.87 0.01 . 1 . . . . 38 ILE HD1 . 6736 1 175 . 1 1 38 38 ILE CA C 13 59.8 0.2 . 1 . . . . 38 ILE CA . 6736 1 176 . 1 1 38 38 ILE CB C 13 40.4 0.2 . 1 . . . . 38 ILE CB . 6736 1 177 . 1 1 38 38 ILE CG1 C 13 22.1 0.2 . 1 . . . . 38 ILE CG1 . 6736 1 178 . 1 1 38 38 ILE CG2 C 13 17.14 0.2 . 1 . . . . 38 ILE CG2 . 6736 1 179 . 1 1 38 38 ILE N N 15 123.5 0.2 . 1 . . . . 38 ILE N . 6736 1 180 . 1 1 39 39 GLU H H 1 9.47 0.01 . 1 . . . . 39 GLU HN . 6736 1 181 . 1 1 39 39 GLU HA H 1 3.93 0.01 . 1 . . . . 39 GLU HA . 6736 1 182 . 1 1 39 39 GLU HB2 H 1 2.04 0.01 . 2 . . . . 39 GLU HB2 . 6736 1 183 . 1 1 39 39 GLU HB3 H 1 2.29 0.01 . 2 . . . . 39 GLU HB3 . 6736 1 184 . 1 1 39 39 GLU HG2 H 1 2.36 0.01 . 1 . . . . 39 GLU HG2 . 6736 1 185 . 1 1 39 39 GLU HG3 H 1 2.36 0.01 . 1 . . . . 39 GLU HG3 . 6736 1 186 . 1 1 39 39 GLU CA C 13 57.3 0.2 . 1 . . . . 39 GLU CA . 6736 1 187 . 1 1 39 39 GLU CB C 13 28.0 0.2 . 1 . . . . 39 GLU CB . 6736 1 188 . 1 1 39 39 GLU CG C 13 36.8 0.2 . 1 . . . . 39 GLU CG . 6736 1 189 . 1 1 39 39 GLU N N 15 126.8 0.2 . 1 . . . . 39 GLU N . 6736 1 190 . 1 1 40 40 GLY H H 1 8.77 0.01 . 1 . . . . 40 GLY HN . 6736 1 191 . 1 1 40 40 GLY HA2 H 1 3.73 0.01 . 2 . . . . 40 GLY HA1 . 6736 1 192 . 1 1 40 40 GLY HA3 H 1 4.22 0.01 . 2 . . . . 40 GLY HA2 . 6736 1 193 . 1 1 40 40 GLY N N 15 106.0 0.2 . 1 . . . . 40 GLY N . 6736 1 194 . 1 1 41 41 SER H H 1 8.03 0.01 . 1 . . . . 41 SER HN . 6736 1 195 . 1 1 41 41 SER HA H 1 4.75 0.01 . 1 . . . . 41 SER HA . 6736 1 196 . 1 1 41 41 SER HB2 H 1 3.81 0.01 . 2 . . . . 41 SER HB2 . 6736 1 197 . 1 1 41 41 SER CB C 13 64.50 0.2 . 1 . . . . 41 SER CB . 6736 1 198 . 1 1 41 41 SER N N 15 116.3 0.2 . 1 . . . . 41 SER N . 6736 1 199 . 1 1 42 42 ARG HA H 1 4.93 0.01 . 1 . . . . 42 ARG HA . 6736 1 200 . 1 1 42 42 ARG HB2 H 1 1.69 0.01 . 1 . . . . 42 ARG HB2 . 6736 1 201 . 1 1 42 42 ARG HB3 H 1 1.69 0.01 . 1 . . . . 42 ARG HB3 . 6736 1 202 . 1 1 42 42 ARG HG2 H 1 1.52 0.01 . 2 . . . . 42 ARG HG2 . 6736 1 203 . 1 1 42 42 ARG HG3 H 1 1.58 0.01 . 2 . . . . 42 ARG HG3 . 6736 1 204 . 1 1 42 42 ARG HD2 H 1 3.00 0.01 . 2 . . . . 42 ARG HD2 . 6736 1 205 . 1 1 42 42 ARG HD3 H 1 3.10 0.01 . 2 . . . . 42 ARG HD3 . 6736 1 206 . 1 1 42 42 ARG CA C 13 55.5 0.2 . 1 . . . . 42 ARG CA . 6736 1 207 . 1 1 42 42 ARG CB C 13 31.9 0.2 . 1 . . . . 42 ARG CB . 6736 1 208 . 1 1 42 42 ARG CG C 13 27.3 0.2 . 1 . . . . 42 ARG CG . 6736 1 209 . 1 1 42 42 ARG CD C 13 43.4 0.2 . 1 . . . . 42 ARG CD . 6736 1 210 . 1 1 43 43 HIS H H 1 9.06 0.01 . 1 . . . . 43 HIS HN . 6736 1 211 . 1 1 43 43 HIS N N 15 124.8 0.2 . 1 . . . . 43 HIS N . 6736 1 212 . 1 1 44 44 ARG H H 1 8.77 0.01 . 1 . . . . 44 ARG HN . 6736 1 213 . 1 1 44 44 ARG HA H 1 5.57 0.01 . 1 . . . . 44 ARG HA . 6736 1 214 . 1 1 44 44 ARG HB2 H 1 1.66 0.01 . 1 . . . . 44 ARG HB2 . 6736 1 215 . 1 1 44 44 ARG HB3 H 1 1.66 0.01 . 1 . . . . 44 ARG HB3 . 6736 1 216 . 1 1 44 44 ARG HG2 H 1 1.50 0.01 . 2 . . . . 44 ARG HG2 . 6736 1 217 . 1 1 44 44 ARG HG3 H 1 1.47 0.01 . 2 . . . . 44 ARG HG3 . 6736 1 218 . 1 1 44 44 ARG HD2 H 1 3.12 0.01 . 1 . . . . 44 ARG HD2 . 6736 1 219 . 1 1 44 44 ARG HD3 H 1 3.12 0.01 . 1 . . . . 44 ARG HD3 . 6736 1 220 . 1 1 44 44 ARG CB C 13 33.3 0.2 . 1 . . . . 44 ARG CB . 6736 1 221 . 1 1 44 44 ARG CG C 13 27.1 0.2 . 1 . . . . 44 ARG CG . 6736 1 222 . 1 1 44 44 ARG CD C 13 43.5 0.2 . 1 . . . . 44 ARG CD . 6736 1 223 . 1 1 44 44 ARG N N 15 122.8 0.2 . 1 . . . . 44 ARG N . 6736 1 224 . 1 1 45 45 ALA H H 1 8.85 0.01 . 1 . . . . 45 ALA HN . 6736 1 225 . 1 1 45 45 ALA HA H 1 4.96 0.01 . 1 . . . . 45 ALA HA . 6736 1 226 . 1 1 45 45 ALA HB1 H 1 1.35 0.01 . 1 . . . . 45 ALA HB . 6736 1 227 . 1 1 45 45 ALA HB2 H 1 1.35 0.01 . 1 . . . . 45 ALA HB . 6736 1 228 . 1 1 45 45 ALA HB3 H 1 1.35 0.01 . 1 . . . . 45 ALA HB . 6736 1 229 . 1 1 45 45 ALA CA C 13 50.2 0.2 . 1 . . . . 45 ALA CA . 6736 1 230 . 1 1 45 45 ALA CB C 13 22.1 0.2 . 1 . . . . 45 ALA CB . 6736 1 231 . 1 1 45 45 ALA N N 15 124.6 0.2 . 1 . . . . 45 ALA N . 6736 1 232 . 1 1 46 46 PRO HA H 1 3.93 0.01 . 1 . . . . 46 PRO HA . 6736 1 233 . 1 1 46 46 PRO HB2 H 1 2.15 0.01 . 1 . . . . 46 PRO HB2 . 6736 1 234 . 1 1 46 46 PRO HB3 H 1 2.15 0.01 . 1 . . . . 46 PRO HB3 . 6736 1 235 . 1 1 46 46 PRO HG2 H 1 2.12 0.01 . 2 . . . . 46 PRO HG2 . 6736 1 236 . 1 1 46 46 PRO HG3 H 1 2.25 0.01 . 2 . . . . 46 PRO HG3 . 6736 1 237 . 1 1 46 46 PRO HD2 H 1 3.71 0.01 . 2 . . . . 46 PRO HD2 . 6736 1 238 . 1 1 46 46 PRO HD3 H 1 3.96 0.01 . 2 . . . . 46 PRO HD3 . 6736 1 239 . 1 1 46 46 PRO CA C 13 66.3 0.2 . 1 . . . . 46 PRO CA . 6736 1 240 . 1 1 46 46 PRO CB C 13 31.5 0.2 . 1 . . . . 46 PRO CB . 6736 1 241 . 1 1 46 46 PRO CG C 13 27.8 0.2 . 1 . . . . 46 PRO CG . 6736 1 242 . 1 1 46 46 PRO CD C 13 50.8 0.2 . 1 . . . . 46 PRO CD . 6736 1 243 . 1 1 47 47 VAL H H 1 8.76 0.01 . 1 . . . . 47 VAL HN . 6736 1 244 . 1 1 47 47 VAL HA H 1 3.51 0.01 . 1 . . . . 47 VAL HA . 6736 1 245 . 1 1 47 47 VAL HB H 1 1.85 0.01 . 1 . . . . 47 VAL HB . 6736 1 246 . 1 1 47 47 VAL HG11 H 1 0.79 0.01 . 2 . . . . 47 VAL HG1 . 6736 1 247 . 1 1 47 47 VAL HG12 H 1 0.79 0.01 . 2 . . . . 47 VAL HG1 . 6736 1 248 . 1 1 47 47 VAL HG13 H 1 0.79 0.01 . 2 . . . . 47 VAL HG1 . 6736 1 249 . 1 1 47 47 VAL HG21 H 1 0.81 0.01 . 2 . . . . 47 VAL HG2 . 6736 1 250 . 1 1 47 47 VAL HG22 H 1 0.81 0.01 . 2 . . . . 47 VAL HG2 . 6736 1 251 . 1 1 47 47 VAL HG23 H 1 0.81 0.01 . 2 . . . . 47 VAL HG2 . 6736 1 252 . 1 1 47 47 VAL CA C 13 65.9 0.2 . 1 . . . . 47 VAL CA . 6736 1 253 . 1 1 47 47 VAL CB C 13 31.4 0.2 . 1 . . . . 47 VAL CB . 6736 1 254 . 1 1 47 47 VAL CG1 C 13 22.1 0.2 . 1 . . . . 47 VAL CG1 . 6736 1 255 . 1 1 47 47 VAL CG2 C 13 22.1 0.2 . 1 . . . . 47 VAL CG2 . 6736 1 256 . 1 1 47 47 VAL N N 15 126.7 0.2 . 1 . . . . 47 VAL N . 6736 1 257 . 1 1 48 48 ASP H H 1 8.41 0.01 . 1 . . . . 48 ASP HN . 6736 1 258 . 1 1 48 48 ASP HA H 1 4.39 0.01 . 1 . . . . 48 ASP HA . 6736 1 259 . 1 1 48 48 ASP HB2 H 1 2.65 0.01 . 2 . . . . 48 ASP HB2 . 6736 1 260 . 1 1 48 48 ASP HB3 H 1 2.93 0.01 . 2 . . . . 48 ASP HB3 . 6736 1 261 . 1 1 48 48 ASP CA C 13 54.6 0.2 . 1 . . . . 48 ASP CA . 6736 1 262 . 1 1 48 48 ASP CB C 13 39.5 0.2 . 1 . . . . 48 ASP CB . 6736 1 263 . 1 1 48 48 ASP N N 15 114.6 0.2 . 1 . . . . 48 ASP N . 6736 1 264 . 1 1 49 49 SER H H 1 7.82 0.01 . 1 . . . . 49 SER HN . 6736 1 265 . 1 1 49 49 SER HA H 1 4.67 0.01 . 1 . . . . 49 SER HA . 6736 1 266 . 1 1 49 49 SER HB2 H 1 4.18 0.01 . 1 . . . . 49 SER HB2 . 6736 1 267 . 1 1 49 49 SER HB3 H 1 4.18 0.01 . 1 . . . . 49 SER HB3 . 6736 1 268 . 1 1 49 49 SER CA C 13 58.3 0.2 . 1 . . . . 49 SER CA . 6736 1 269 . 1 1 49 49 SER CB C 13 65.0 0.2 . 1 . . . . 49 SER CB . 6736 1 270 . 1 1 49 49 SER N N 15 113.8 0.2 . 1 . . . . 49 SER N . 6736 1 271 . 1 1 50 50 LEU H H 1 7.68 0.01 . 1 . . . . 50 LEU HN . 6736 1 272 . 1 1 50 50 LEU HA H 1 4.57 0.01 . 1 . . . . 50 LEU HA . 6736 1 273 . 1 1 50 50 LEU HB2 H 1 2.06 0.01 . 2 . . . . 50 LEU HB2 . 6736 1 274 . 1 1 50 50 LEU HB3 H 1 1.31 0.01 . 2 . . . . 50 LEU HB3 . 6736 1 275 . 1 1 50 50 LEU HG H 1 2.13 0.01 . 1 . . . . 50 LEU HG . 6736 1 276 . 1 1 50 50 LEU HD11 H 1 0.88 0.01 . 2 . . . . 50 LEU HD1 . 6736 1 277 . 1 1 50 50 LEU HD12 H 1 0.88 0.01 . 2 . . . . 50 LEU HD1 . 6736 1 278 . 1 1 50 50 LEU HD13 H 1 0.88 0.01 . 2 . . . . 50 LEU HD1 . 6736 1 279 . 1 1 50 50 LEU HD21 H 1 0.88 0.01 . 2 . . . . 50 LEU HD2 . 6736 1 280 . 1 1 50 50 LEU HD22 H 1 0.88 0.01 . 2 . . . . 50 LEU HD2 . 6736 1 281 . 1 1 50 50 LEU HD23 H 1 0.88 0.01 . 2 . . . . 50 LEU HD2 . 6736 1 282 . 1 1 50 50 LEU CA C 13 54.3 0.2 . 1 . . . . 50 LEU CA . 6736 1 283 . 1 1 50 50 LEU CB C 13 42.6 0.2 . 1 . . . . 50 LEU CB . 6736 1 284 . 1 1 50 50 LEU CG C 13 25.8 0.2 . 1 . . . . 50 LEU CG . 6736 1 285 . 1 1 50 50 LEU CD1 C 13 22.4 0.2 . 1 . . . . 50 LEU CD1 . 6736 1 286 . 1 1 50 50 LEU CD2 C 13 22.2 0.2 . 1 . . . . 50 LEU CD2 . 6736 1 287 . 1 1 50 50 LEU N N 15 122.1 0.2 . 1 . . . . 50 LEU N . 6736 1 288 . 1 1 51 51 ARG H H 1 7.39 0.01 . 1 . . . . 51 ARG HN . 6736 1 289 . 1 1 51 51 ARG HA H 1 5.30 0.01 . 1 . . . . 51 ARG HA . 6736 1 290 . 1 1 51 51 ARG HB2 H 1 1.70 0.01 . 1 . . . . 51 ARG HB2 . 6736 1 291 . 1 1 51 51 ARG HB3 H 1 1.70 0.01 . 1 . . . . 51 ARG HB3 . 6736 1 292 . 1 1 51 51 ARG HG2 H 1 1.49 0.01 . 1 . . . . 51 ARG HG2 . 6736 1 293 . 1 1 51 51 ARG HG3 H 1 1.49 0.01 . 1 . . . . 51 ARG HG3 . 6736 1 294 . 1 1 51 51 ARG HD2 H 1 2.90 0.01 . 2 . . . . 51 ARG HD2 . 6736 1 295 . 1 1 51 51 ARG HD3 H 1 3.04 0.01 . 2 . . . . 51 ARG HD3 . 6736 1 296 . 1 1 51 51 ARG CA C 13 54.3 0.2 . 1 . . . . 51 ARG CA . 6736 1 297 . 1 1 51 51 ARG CB C 13 34.1 0.2 . 1 . . . . 51 ARG CB . 6736 1 298 . 1 1 51 51 ARG CG C 13 27.1 0.2 . 1 . . . . 51 ARG CG . 6736 1 299 . 1 1 51 51 ARG CD C 13 43.1 0.2 . 1 . . . . 51 ARG CD . 6736 1 300 . 1 1 51 51 ARG N N 15 117.6 0.2 . 1 . . . . 51 ARG N . 6736 1 301 . 1 1 52 52 ILE H H 1 8.88 0.01 . 1 . . . . 52 ILE HN . 6736 1 302 . 1 1 52 52 ILE HA H 1 5.37 0.01 . 1 . . . . 52 ILE HA . 6736 1 303 . 1 1 52 52 ILE HB H 1 2.02 0.01 . 1 . . . . 52 ILE HB . 6736 1 304 . 1 1 52 52 ILE HG12 H 1 1.34 0.01 . 2 . . . . 52 ILE HG12 . 6736 1 305 . 1 1 52 52 ILE HG13 H 1 1.26 0.01 . 2 . . . . 52 ILE HG13 . 6736 1 306 . 1 1 52 52 ILE HG21 H 1 0.95 0.01 . 1 . . . . 52 ILE HG2 . 6736 1 307 . 1 1 52 52 ILE HG22 H 1 0.95 0.01 . 1 . . . . 52 ILE HG2 . 6736 1 308 . 1 1 52 52 ILE HG23 H 1 0.95 0.01 . 1 . . . . 52 ILE HG2 . 6736 1 309 . 1 1 52 52 ILE HD11 H 1 0.75 0.01 . 1 . . . . 52 ILE HD1 . 6736 1 310 . 1 1 52 52 ILE HD12 H 1 0.75 0.01 . 1 . . . . 52 ILE HD1 . 6736 1 311 . 1 1 52 52 ILE HD13 H 1 0.75 0.01 . 1 . . . . 52 ILE HD1 . 6736 1 312 . 1 1 52 52 ILE CA C 13 57.4 0.2 . 1 . . . . 52 ILE CA . 6736 1 313 . 1 1 52 52 ILE CB C 13 38.1 0.2 . 1 . . . . 52 ILE CB . 6736 1 314 . 1 1 52 52 ILE CG1 C 13 27.0 0.2 . 1 . . . . 52 ILE CG1 . 6736 1 315 . 1 1 52 52 ILE CG2 C 13 17.7 0.2 . 1 . . . . 52 ILE CG2 . 6736 1 316 . 1 1 52 52 ILE CD1 C 13 12.6 0.2 . 1 . . . . 52 ILE CD1 . 6736 1 317 . 1 1 52 52 ILE N N 15 123.0 0.2 . 1 . . . . 52 ILE N . 6736 1 318 . 1 1 53 53 GLY H H 1 9.35 0.01 . 1 . . . . 53 GLY HN . 6736 1 319 . 1 1 53 53 GLY HA2 H 1 3.89 0.01 . 1 . . . . 53 GLY HA1 . 6736 1 320 . 1 1 53 53 GLY HA3 H 1 3.89 0.01 . 1 . . . . 53 GLY HA2 . 6736 1 321 . 1 1 53 53 GLY CA C 13 43.6 0.2 . 1 . . . . 53 GLY CA . 6736 1 322 . 1 1 53 53 GLY N N 15 112.6 0.2 . 1 . . . . 53 GLY N . 6736 1 323 . 1 1 54 54 THR H H 1 8.70 0.01 . 1 . . . . 54 THR HN . 6736 1 324 . 1 1 54 54 THR HA H 1 4.78 0.01 . 1 . . . . 54 THR HA . 6736 1 325 . 1 1 54 54 THR HB H 1 3.80 0.01 . 1 . . . . 54 THR HB . 6736 1 326 . 1 1 54 54 THR HG21 H 1 1.14 0.01 . 1 . . . . 54 THR HG2 . 6736 1 327 . 1 1 54 54 THR HG22 H 1 1.14 0.01 . 1 . . . . 54 THR HG2 . 6736 1 328 . 1 1 54 54 THR HG23 H 1 1.14 0.01 . 1 . . . . 54 THR HG2 . 6736 1 329 . 1 1 54 54 THR CB C 13 71.8 0.2 . 1 . . . . 54 THR CB . 6736 1 330 . 1 1 54 54 THR CG2 C 13 21.7 0.2 . 1 . . . . 54 THR CG2 . 6736 1 331 . 1 1 54 54 THR N N 15 117.3 0.2 . 1 . . . . 54 THR N . 6736 1 332 . 1 1 55 55 ASP H H 1 9.07 0.01 . 1 . . . . 55 ASP HN . 6736 1 333 . 1 1 55 55 ASP HA H 1 4.77 0.01 . 1 . . . . 55 ASP HA . 6736 1 334 . 1 1 55 55 ASP HB2 H 1 2.48 0.01 . 2 . . . . 55 ASP HB2 . 6736 1 335 . 1 1 55 55 ASP HB3 H 1 2.92 0.01 . 2 . . . . 55 ASP HB3 . 6736 1 336 . 1 1 55 55 ASP CB C 13 41.7 0.2 . 1 . . . . 55 ASP CB . 6736 1 337 . 1 1 55 55 ASP N N 15 127.0 0.2 . 1 . . . . 55 ASP N . 6736 1 338 . 1 1 56 56 ALA HA H 1 4.04 0.01 . 1 . . . . 56 ALA HA . 6736 1 339 . 1 1 56 56 ALA HB1 H 1 1.48 0.01 . 1 . . . . 56 ALA HB . 6736 1 340 . 1 1 56 56 ALA HB2 H 1 1.48 0.01 . 1 . . . . 56 ALA HB . 6736 1 341 . 1 1 56 56 ALA HB3 H 1 1.48 0.01 . 1 . . . . 56 ALA HB . 6736 1 342 . 1 1 56 56 ALA CA C 13 54.2 0.2 . 1 . . . . 56 ALA CA . 6736 1 343 . 1 1 56 56 ALA CB C 13 18.6 0.2 . 1 . . . . 56 ALA CB . 6736 1 344 . 1 1 57 57 GLU H H 1 8.21 0.01 . 1 . . . . 57 GLU HN . 6736 1 345 . 1 1 57 57 GLU HA H 1 4.19 0.01 . 1 . . . . 57 GLU HA . 6736 1 346 . 1 1 57 57 GLU HB2 H 1 2.12 0.01 . 1 . . . . 57 GLU HB2 . 6736 1 347 . 1 1 57 57 GLU HB3 H 1 2.12 0.01 . 1 . . . . 57 GLU HB3 . 6736 1 348 . 1 1 57 57 GLU HG2 H 1 2.30 0.01 . 1 . . . . 57 GLU HG2 . 6736 1 349 . 1 1 57 57 GLU HG3 H 1 2.30 0.01 . 1 . . . . 57 GLU HG3 . 6736 1 350 . 1 1 57 57 GLU CA C 13 58.1 0.2 . 1 . . . . 57 GLU CA . 6736 1 351 . 1 1 57 57 GLU CB C 13 29.7 0.2 . 1 . . . . 57 GLU CB . 6736 1 352 . 1 1 57 57 GLU CG C 13 36.4 0.2 . 1 . . . . 57 GLU CG . 6736 1 353 . 1 1 57 57 GLU N N 15 116.7 0.2 . 1 . . . . 57 GLU N . 6736 1 354 . 1 1 58 58 ALA H H 1 7.68 0.01 . 1 . . . . 58 ALA HN . 6736 1 355 . 1 1 58 58 ALA HA H 1 4.17 0.01 . 1 . . . . 58 ALA HA . 6736 1 356 . 1 1 58 58 ALA HB1 H 1 1.09 0.01 . 1 . . . . 58 ALA HB . 6736 1 357 . 1 1 58 58 ALA HB2 H 1 1.09 0.01 . 1 . . . . 58 ALA HB . 6736 1 358 . 1 1 58 58 ALA HB3 H 1 1.09 0.01 . 1 . . . . 58 ALA HB . 6736 1 359 . 1 1 58 58 ALA CA C 13 51.6 0.2 . 1 . . . . 58 ALA CA . 6736 1 360 . 1 1 58 58 ALA CB C 13 19.4 0.2 . 1 . . . . 58 ALA CB . 6736 1 361 . 1 1 58 58 ALA N N 15 119.9 0.2 . 1 . . . . 58 ALA N . 6736 1 362 . 1 1 59 59 ARG H H 1 8.18 0.01 . 1 . . . . 59 ARG HN . 6736 1 363 . 1 1 59 59 ARG HA H 1 3.71 0.01 . 1 . . . . 59 ARG HA . 6736 1 364 . 1 1 59 59 ARG HB2 H 1 2.05 0.01 . 2 . . . . 59 ARG HB2 . 6736 1 365 . 1 1 59 59 ARG HB3 H 1 1.86 0.01 . 2 . . . . 59 ARG HB3 . 6736 1 366 . 1 1 59 59 ARG HG2 H 1 1.51 0.01 . 1 . . . . 59 ARG HG2 . 6736 1 367 . 1 1 59 59 ARG HG3 H 1 1.51 0.01 . 1 . . . . 59 ARG HG3 . 6736 1 368 . 1 1 59 59 ARG HD2 H 1 3.18 0.01 . 1 . . . . 59 ARG HD2 . 6736 1 369 . 1 1 59 59 ARG HD3 H 1 3.18 0.01 . 1 . . . . 59 ARG HD3 . 6736 1 370 . 1 1 59 59 ARG CA C 13 56.5 0.2 . 1 . . . . 59 ARG CA . 6736 1 371 . 1 1 59 59 ARG CB C 13 26.8 0.2 . 1 . . . . 59 ARG CB . 6736 1 372 . 1 1 59 59 ARG CG C 13 27.2 0.2 . 1 . . . . 59 ARG CG . 6736 1 373 . 1 1 59 59 ARG CD C 13 43.5 0.2 . 1 . . . . 59 ARG CD . 6736 1 374 . 1 1 59 59 ARG N N 15 114.3 0.2 . 1 . . . . 59 ARG N . 6736 1 375 . 1 1 60 60 LEU H H 1 7.18 0.01 . 1 . . . . 60 LEU HN . 6736 1 376 . 1 1 60 60 LEU HA H 1 4.79 0.01 . 1 . . . . 60 LEU HA . 6736 1 377 . 1 1 60 60 LEU HB2 H 1 1.21 0.01 . 2 . . . . 60 LEU HB2 . 6736 1 378 . 1 1 60 60 LEU HB3 H 1 1.70 0.01 . 2 . . . . 60 LEU HB3 . 6736 1 379 . 1 1 60 60 LEU HG H 1 1.40 0.01 . 1 . . . . 60 LEU HG . 6736 1 380 . 1 1 60 60 LEU HD11 H 1 0.34 0.01 . 2 . . . . 60 LEU HD1 . 6736 1 381 . 1 1 60 60 LEU HD12 H 1 0.34 0.01 . 2 . . . . 60 LEU HD1 . 6736 1 382 . 1 1 60 60 LEU HD13 H 1 0.34 0.01 . 2 . . . . 60 LEU HD1 . 6736 1 383 . 1 1 60 60 LEU HD21 H 1 0.88 0.01 . 2 . . . . 60 LEU HD2 . 6736 1 384 . 1 1 60 60 LEU HD22 H 1 0.88 0.01 . 2 . . . . 60 LEU HD2 . 6736 1 385 . 1 1 60 60 LEU HD23 H 1 0.88 0.01 . 2 . . . . 60 LEU HD2 . 6736 1 386 . 1 1 60 60 LEU CB C 13 47.2 0.2 . 1 . . . . 60 LEU CB . 6736 1 387 . 1 1 60 60 LEU CG C 13 25.8 0.2 . 1 . . . . 60 LEU CG . 6736 1 388 . 1 1 60 60 LEU CD1 C 13 25.2 0.2 . 1 . . . . 60 LEU CD1 . 6736 1 389 . 1 1 60 60 LEU CD2 C 13 23.2 0.2 . 1 . . . . 60 LEU CD2 . 6736 1 390 . 1 1 60 60 LEU N N 15 116.7 0.2 . 1 . . . . 60 LEU N . 6736 1 391 . 1 1 61 61 SER H H 1 8.89 0.01 . 1 . . . . 61 SER HN . 6736 1 392 . 1 1 61 61 SER HA H 1 5.17 0.01 . 1 . . . . 61 SER HA . 6736 1 393 . 1 1 61 61 SER HB2 H 1 3.72 0.01 . 2 . . . . 61 SER HB2 . 6736 1 394 . 1 1 61 61 SER HB3 H 1 3.58 0.01 . 2 . . . . 61 SER HB3 . 6736 1 395 . 1 1 61 61 SER CA C 13 60.1 0.2 . 1 . . . . 61 SER CA . 6736 1 396 . 1 1 61 61 SER CB C 13 63.6 0.2 . 1 . . . . 61 SER CB . 6736 1 397 . 1 1 61 61 SER N N 15 118.1 0.2 . 1 . . . . 61 SER N . 6736 1 398 . 1 1 62 62 VAL H H 1 8.33 0.01 . 1 . . . . 62 VAL HN . 6736 1 399 . 1 1 62 62 VAL HA H 1 4.77 0.01 . 1 . . . . 62 VAL HA . 6736 1 400 . 1 1 62 62 VAL HB H 1 1.32 0.01 . 1 . . . . 62 VAL HB . 6736 1 401 . 1 1 62 62 VAL HG11 H 1 0.28 0.01 . 2 . . . . 62 VAL HG1 . 6736 1 402 . 1 1 62 62 VAL HG12 H 1 0.28 0.01 . 2 . . . . 62 VAL HG1 . 6736 1 403 . 1 1 62 62 VAL HG13 H 1 0.28 0.01 . 2 . . . . 62 VAL HG1 . 6736 1 404 . 1 1 62 62 VAL HG21 H 1 0.50 0.01 . 2 . . . . 62 VAL HG2 . 6736 1 405 . 1 1 62 62 VAL HG22 H 1 0.50 0.01 . 2 . . . . 62 VAL HG2 . 6736 1 406 . 1 1 62 62 VAL HG23 H 1 0.50 0.01 . 2 . . . . 62 VAL HG2 . 6736 1 407 . 1 1 62 62 VAL CA C 13 59.0 0.2 . 1 . . . . 62 VAL CA . 6736 1 408 . 1 1 62 62 VAL CB C 13 35.6 0.2 . 1 . . . . 62 VAL CB . 6736 1 409 . 1 1 62 62 VAL CG1 C 13 21.7 0.2 . 1 . . . . 62 VAL CG1 . 6736 1 410 . 1 1 62 62 VAL CG2 C 13 20.9 0.2 . 1 . . . . 62 VAL CG2 . 6736 1 411 . 1 1 62 62 VAL N N 15 117.0 0.2 . 1 . . . . 62 VAL N . 6736 1 412 . 1 1 63 63 LEU H H 1 9.23 0.01 . 1 . . . . 63 LEU HN . 6736 1 413 . 1 1 63 63 LEU HA H 1 4.80 0.01 . 1 . . . . 63 LEU HA . 6736 1 414 . 1 1 63 63 LEU HB2 H 1 1.74 0.01 . 2 . . . . 63 LEU HB2 . 6736 1 415 . 1 1 63 63 LEU HB3 H 1 1.18 0.01 . 2 . . . . 63 LEU HB3 . 6736 1 416 . 1 1 63 63 LEU HG H 1 1.28 0.01 . 1 . . . . 63 LEU HG . 6736 1 417 . 1 1 63 63 LEU HD11 H 1 0.70 0.01 . 2 . . . . 63 LEU HD1 . 6736 1 418 . 1 1 63 63 LEU HD12 H 1 0.70 0.01 . 2 . . . . 63 LEU HD1 . 6736 1 419 . 1 1 63 63 LEU HD13 H 1 0.70 0.01 . 2 . . . . 63 LEU HD1 . 6736 1 420 . 1 1 63 63 LEU HD21 H 1 0.90 0.01 . 2 . . . . 63 LEU HD2 . 6736 1 421 . 1 1 63 63 LEU HD22 H 1 0.90 0.01 . 2 . . . . 63 LEU HD2 . 6736 1 422 . 1 1 63 63 LEU HD23 H 1 0.90 0.01 . 2 . . . . 63 LEU HD2 . 6736 1 423 . 1 1 63 63 LEU CB C 13 44.9 0.2 . 1 . . . . 63 LEU CB . 6736 1 424 . 1 1 63 63 LEU CG C 13 27.1 0.2 . 1 . . . . 63 LEU CG . 6736 1 425 . 1 1 63 63 LEU CD1 C 13 26.1 0.2 . 1 . . . . 63 LEU CD1 . 6736 1 426 . 1 1 63 63 LEU CD2 C 13 24.8 0.2 . 1 . . . . 63 LEU CD2 . 6736 1 427 . 1 1 63 63 LEU N N 15 125.6 0.2 . 1 . . . . 63 LEU N . 6736 1 428 . 1 1 64 64 TYR H H 1 8.69 0.01 . 1 . . . . 64 TYR HN . 6736 1 429 . 1 1 64 64 TYR HA H 1 5.21 0.01 . 1 . . . . 64 TYR HA . 6736 1 430 . 1 1 64 64 TYR HB2 H 1 2.93 0.01 . 1 . . . . 64 TYR HB2 . 6736 1 431 . 1 1 64 64 TYR HB3 H 1 2.93 0.01 . 1 . . . . 64 TYR HB3 . 6736 1 432 . 1 1 64 64 TYR HD1 H 1 7.02 0.01 . 1 . . . . 64 TYR HD1 . 6736 1 433 . 1 1 64 64 TYR HD2 H 1 7.02 0.01 . 1 . . . . 64 TYR HD2 . 6736 1 434 . 1 1 64 64 TYR HE1 H 1 6.57 0.01 . 1 . . . . 64 TYR HE1 . 6736 1 435 . 1 1 64 64 TYR HE2 H 1 6.57 0.01 . 1 . . . . 64 TYR HE2 . 6736 1 436 . 1 1 64 64 TYR CA C 13 56.8 0.2 . 1 . . . . 64 TYR CA . 6736 1 437 . 1 1 64 64 TYR CB C 13 37.7 0.2 . 1 . . . . 64 TYR CB . 6736 1 438 . 1 1 64 64 TYR N N 15 125.5 0.2 . 1 . . . . 64 TYR N . 6736 1 439 . 1 1 65 65 ILE H H 1 8.31 0.01 . 1 . . . . 65 ILE HN . 6736 1 440 . 1 1 65 65 ILE HA H 1 4.42 0.01 . 1 . . . . 65 ILE HA . 6736 1 441 . 1 1 65 65 ILE HB H 1 1.45 0.01 . 1 . . . . 65 ILE HB . 6736 1 442 . 1 1 65 65 ILE HG12 H 1 0.70 0.01 . 2 . . . . 65 ILE HG12 . 6736 1 443 . 1 1 65 65 ILE HG13 H 1 1.33 0.01 . 2 . . . . 65 ILE HG13 . 6736 1 444 . 1 1 65 65 ILE HG21 H 1 0.63 0.01 . 1 . . . . 65 ILE HG2 . 6736 1 445 . 1 1 65 65 ILE HG22 H 1 0.63 0.01 . 1 . . . . 65 ILE HG2 . 6736 1 446 . 1 1 65 65 ILE HG23 H 1 0.63 0.01 . 1 . . . . 65 ILE HG2 . 6736 1 447 . 1 1 65 65 ILE HD11 H 1 0.71 0.01 . 1 . . . . 65 ILE HD1 . 6736 1 448 . 1 1 65 65 ILE HD12 H 1 0.71 0.01 . 1 . . . . 65 ILE HD1 . 6736 1 449 . 1 1 65 65 ILE HD13 H 1 0.71 0.01 . 1 . . . . 65 ILE HD1 . 6736 1 450 . 1 1 65 65 ILE CA C 13 58.3 0.2 . 1 . . . . 65 ILE CA . 6736 1 451 . 1 1 65 65 ILE CB C 13 40.4 0.2 . 1 . . . . 65 ILE CB . 6736 1 452 . 1 1 65 65 ILE CG1 C 13 28.1 0.2 . 1 . . . . 65 ILE CG1 . 6736 1 453 . 1 1 65 65 ILE CG2 C 13 13.6 0.2 . 1 . . . . 65 ILE CG2 . 6736 1 454 . 1 1 65 65 ILE CD1 C 13 14.0 0.2 . 1 . . . . 65 ILE CD1 . 6736 1 455 . 1 1 65 65 ILE N N 15 119.4 0.2 . 1 . . . . 65 ILE N . 6736 1 456 . 1 1 66 66 ASP H H 1 9.18 0.01 . 1 . . . . 66 ASP HN . 6736 1 457 . 1 1 66 66 ASP HA H 1 4.32 0.01 . 1 . . . . 66 ASP HA . 6736 1 458 . 1 1 66 66 ASP HB2 H 1 2.29 0.01 . 2 . . . . 66 ASP HB2 . 6736 1 459 . 1 1 66 66 ASP HB3 H 1 3.01 0.01 . 2 . . . . 66 ASP HB3 . 6736 1 460 . 1 1 66 66 ASP CA C 13 55.1 0.2 . 1 . . . . 66 ASP CA . 6736 1 461 . 1 1 66 66 ASP CB C 13 40.3 0.2 . 1 . . . . 66 ASP CB . 6736 1 462 . 1 1 66 66 ASP N N 15 127.2 0.2 . 1 . . . . 66 ASP N . 6736 1 463 . 1 1 67 67 GLY H H 1 8.46 0.01 . 1 . . . . 67 GLY HN . 6736 1 464 . 1 1 67 67 GLY HA2 H 1 3.69 0.01 . 2 . . . . 67 GLY HA1 . 6736 1 465 . 1 1 67 67 GLY HA3 H 1 4.13 0.01 . 2 . . . . 67 GLY HA2 . 6736 1 466 . 1 1 67 67 GLY CA C 13 45.7 0.2 . 1 . . . . 67 GLY CA . 6736 1 467 . 1 1 67 67 GLY N N 15 103.7 0.2 . 1 . . . . 67 GLY N . 6736 1 468 . 1 1 68 68 LYS H H 1 8.37 0.01 . 1 . . . . 68 LYS HN . 6736 1 469 . 1 1 68 68 LYS HA H 1 4.55 0.01 . 1 . . . . 68 LYS HA . 6736 1 470 . 1 1 68 68 LYS HB2 H 1 1.58 0.01 . 2 . . . . 68 LYS HB2 . 6736 1 471 . 1 1 68 68 LYS HB3 H 1 1.70 0.01 . 2 . . . . 68 LYS HB3 . 6736 1 472 . 1 1 68 68 LYS HG2 H 1 1.26 0.01 . 2 . . . . 68 LYS HG2 . 6736 1 473 . 1 1 68 68 LYS HG3 H 1 1.10 0.01 . 2 . . . . 68 LYS HG3 . 6736 1 474 . 1 1 68 68 LYS HD2 H 1 1.40 0.01 . 2 . . . . 68 LYS HD2 . 6736 1 475 . 1 1 68 68 LYS HD3 H 1 1.47 0.01 . 2 . . . . 68 LYS HD3 . 6736 1 476 . 1 1 68 68 LYS HE2 H 1 2.89 0.01 . 1 . . . . 68 LYS HE2 . 6736 1 477 . 1 1 68 68 LYS HE3 H 1 2.89 0.01 . 1 . . . . 68 LYS HE3 . 6736 1 478 . 1 1 68 68 LYS CA C 13 54.0 0.2 . 1 . . . . 68 LYS CA . 6736 1 479 . 1 1 68 68 LYS CB C 13 34.0 0.2 . 1 . . . . 68 LYS CB . 6736 1 480 . 1 1 68 68 LYS CG C 13 24.3 0.2 . 1 . . . . 68 LYS CG . 6736 1 481 . 1 1 68 68 LYS CD C 13 28.3 0.2 . 1 . . . . 68 LYS CD . 6736 1 482 . 1 1 68 68 LYS CE C 13 42.0 0.2 . 1 . . . . 68 LYS CE . 6736 1 483 . 1 1 68 68 LYS N N 15 121.2 0.2 . 1 . . . . 68 LYS N . 6736 1 484 . 1 1 69 69 ARG H H 1 8.24 0.01 . 1 . . . . 69 ARG HN . 6736 1 485 . 1 1 69 69 ARG HA H 1 4.77 0.01 . 1 . . . . 69 ARG HA . 6736 1 486 . 1 1 69 69 ARG HB2 H 1 1.37 0.01 . 1 . . . . 69 ARG HB2 . 6736 1 487 . 1 1 69 69 ARG HB3 H 1 1.37 0.01 . 1 . . . . 69 ARG HB3 . 6736 1 488 . 1 1 69 69 ARG HG2 H 1 0.93 0.01 . 2 . . . . 69 ARG HG2 . 6736 1 489 . 1 1 69 69 ARG HG3 H 1 1.04 0.01 . 2 . . . . 69 ARG HG3 . 6736 1 490 . 1 1 69 69 ARG HD2 H 1 2.94 0.01 . 2 . . . . 69 ARG HD2 . 6736 1 491 . 1 1 69 69 ARG HD3 H 1 3.05 0.01 . 2 . . . . 69 ARG HD3 . 6736 1 492 . 1 1 69 69 ARG CB C 13 32.1 0.2 . 1 . . . . 69 ARG CB . 6736 1 493 . 1 1 69 69 ARG CG C 13 26.7 0.2 . 1 . . . . 69 ARG CG . 6736 1 494 . 1 1 69 69 ARG CD C 13 43.6 0.2 . 1 . . . . 69 ARG CD . 6736 1 495 . 1 1 69 69 ARG N N 15 121.2 0.2 . 1 . . . . 69 ARG N . 6736 1 496 . 1 1 70 70 LEU H H 1 8.71 0.01 . 1 . . . . 70 LEU HN . 6736 1 497 . 1 1 70 70 LEU HA H 1 4.68 0.01 . 1 . . . . 70 LEU HA . 6736 1 498 . 1 1 70 70 LEU HB2 H 1 1.47 0.01 . 1 . . . . 70 LEU HB2 . 6736 1 499 . 1 1 70 70 LEU HB3 H 1 1.47 0.01 . 1 . . . . 70 LEU HB3 . 6736 1 500 . 1 1 70 70 LEU HG H 1 1.47 0.01 . 1 . . . . 70 LEU HG . 6736 1 501 . 1 1 70 70 LEU HD11 H 1 0.74 0.01 . 2 . . . . 70 LEU HD1 . 6736 1 502 . 1 1 70 70 LEU HD12 H 1 0.74 0.01 . 2 . . . . 70 LEU HD1 . 6736 1 503 . 1 1 70 70 LEU HD13 H 1 0.74 0.01 . 2 . . . . 70 LEU HD1 . 6736 1 504 . 1 1 70 70 LEU HD21 H 1 0.73 0.01 . 2 . . . . 70 LEU HD2 . 6736 1 505 . 1 1 70 70 LEU HD22 H 1 0.73 0.01 . 2 . . . . 70 LEU HD2 . 6736 1 506 . 1 1 70 70 LEU HD23 H 1 0.73 0.01 . 2 . . . . 70 LEU HD2 . 6736 1 507 . 1 1 70 70 LEU CB C 13 44.7 0.2 . 1 . . . . 70 LEU CB . 6736 1 508 . 1 1 70 70 LEU CG C 13 26.6 0.2 . 1 . . . . 70 LEU CG . 6736 1 509 . 1 1 70 70 LEU CD1 C 13 24.7 0.2 . 1 . . . . 70 LEU CD1 . 6736 1 510 . 1 1 70 70 LEU CD2 C 13 25.8 0.2 . 1 . . . . 70 LEU CD2 . 6736 1 511 . 1 1 70 70 LEU N N 15 124.4 0.2 . 1 . . . . 70 LEU N . 6736 1 512 . 1 1 71 71 HIS H H 1 8.59 0.01 . 1 . . . . 71 HIS HN . 6736 1 513 . 1 1 71 71 HIS HA H 1 5.01 0.01 . 1 . . . . 71 HIS HA . 6736 1 514 . 1 1 71 71 HIS HB2 H 1 2.94 0.01 . 1 . . . . 71 HIS HB2 . 6736 1 515 . 1 1 71 71 HIS HB3 H 1 2.94 0.01 . 1 . . . . 71 HIS HB3 . 6736 1 516 . 1 1 71 71 HIS CA C 13 57.8 0.2 . 1 . . . . 71 HIS CA . 6736 1 517 . 1 1 71 71 HIS CB C 13 31.4 0.2 . 1 . . . . 71 HIS CB . 6736 1 518 . 1 1 71 71 HIS N N 15 123.6 0.2 . 1 . . . . 71 HIS N . 6736 1 519 . 1 1 72 72 ILE H H 1 8.00 0.01 . 1 . . . . 72 ILE HN . 6736 1 520 . 1 1 72 72 ILE HA H 1 4.86 0.01 . 1 . . . . 72 ILE HA . 6736 1 521 . 1 1 72 72 ILE HB H 1 1.94 0.01 . 1 . . . . 72 ILE HB . 6736 1 522 . 1 1 72 72 ILE HG12 H 1 1.33 0.01 . 2 . . . . 72 ILE HG12 . 6736 1 523 . 1 1 72 72 ILE HG13 H 1 0.85 0.01 . 2 . . . . 72 ILE HG13 . 6736 1 524 . 1 1 72 72 ILE HG21 H 1 0.77 0.01 . 1 . . . . 72 ILE HG2 . 6736 1 525 . 1 1 72 72 ILE HG22 H 1 0.77 0.01 . 1 . . . . 72 ILE HG2 . 6736 1 526 . 1 1 72 72 ILE HG23 H 1 0.77 0.01 . 1 . . . . 72 ILE HG2 . 6736 1 527 . 1 1 72 72 ILE HD11 H 1 0.65 0.01 . 1 . . . . 72 ILE HD1 . 6736 1 528 . 1 1 72 72 ILE HD12 H 1 0.65 0.01 . 1 . . . . 72 ILE HD1 . 6736 1 529 . 1 1 72 72 ILE HD13 H 1 0.65 0.01 . 1 . . . . 72 ILE HD1 . 6736 1 530 . 1 1 72 72 ILE CB C 13 42.8 0.2 . 1 . . . . 72 ILE CB . 6736 1 531 . 1 1 72 72 ILE CG1 C 13 25.2 0.2 . 1 . . . . 72 ILE CG1 . 6736 1 532 . 1 1 72 72 ILE CG2 C 13 18.1 0.2 . 1 . . . . 72 ILE CG2 . 6736 1 533 . 1 1 72 72 ILE CD1 C 13 14.8 0.2 . 1 . . . . 72 ILE CD1 . 6736 1 534 . 1 1 72 72 ILE N N 15 115.5 0.2 . 1 . . . . 72 ILE N . 6736 1 535 . 1 1 73 73 SER H H 1 9.28 0.01 . 1 . . . . 73 SER HN . 6736 1 536 . 1 1 73 73 SER HA H 1 4.38 0.01 . 1 . . . . 73 SER HA . 6736 1 537 . 1 1 73 73 SER HB2 H 1 4.02 0.01 . 2 . . . . 73 SER HB2 . 6736 1 538 . 1 1 73 73 SER HB3 H 1 4.45 0.01 . 2 . . . . 73 SER HB3 . 6736 1 539 . 1 1 73 73 SER CA C 13 56.9 0.2 . 1 . . . . 73 SER CA . 6736 1 540 . 1 1 73 73 SER CB C 13 65.0 0.2 . 1 . . . . 73 SER CB . 6736 1 541 . 1 1 73 73 SER N N 15 117.7 0.2 . 1 . . . . 73 SER N . 6736 1 542 . 1 1 74 74 GLU H H 1 9.04 0.01 . 1 . . . . 74 GLU HN . 6736 1 543 . 1 1 74 74 GLU HA H 1 4.14 0.01 . 1 . . . . 74 GLU HA . 6736 1 544 . 1 1 74 74 GLU HB2 H 1 2.10 0.01 . 1 . . . . 74 GLU HB2 . 6736 1 545 . 1 1 74 74 GLU HB3 H 1 2.10 0.01 . 1 . . . . 74 GLU HB3 . 6736 1 546 . 1 1 74 74 GLU HG2 H 1 2.49 0.01 . 1 . . . . 74 GLU HG2 . 6736 1 547 . 1 1 74 74 GLU HG3 H 1 2.49 0.01 . 1 . . . . 74 GLU HG3 . 6736 1 548 . 1 1 74 74 GLU CA C 13 58.2 0.2 . 1 . . . . 74 GLU CA . 6736 1 549 . 1 1 74 74 GLU CB C 13 28.8 0.2 . 1 . . . . 74 GLU CB . 6736 1 550 . 1 1 74 74 GLU CG C 13 36.4 0.2 . 1 . . . . 74 GLU CG . 6736 1 551 . 1 1 74 74 GLU N N 15 120.5 0.2 . 1 . . . . 74 GLU N . 6736 1 552 . 1 1 75 75 GLU H H 1 8.78 0.01 . 1 . . . . 75 GLU HN . 6736 1 553 . 1 1 75 75 GLU HA H 1 4.08 0.01 . 1 . . . . 75 GLU HA . 6736 1 554 . 1 1 75 75 GLU HB2 H 1 2.10 0.01 . 2 . . . . 75 GLU HB2 . 6736 1 555 . 1 1 75 75 GLU HB3 H 1 1.95 0.01 . 2 . . . . 75 GLU HB3 . 6736 1 556 . 1 1 75 75 GLU HG2 H 1 2.30 0.01 . 2 . . . . 75 GLU HG2 . 6736 1 557 . 1 1 75 75 GLU HG3 H 1 2.38 0.01 . 2 . . . . 75 GLU HG3 . 6736 1 558 . 1 1 75 75 GLU CA C 13 59.7 0.2 . 1 . . . . 75 GLU CA . 6736 1 559 . 1 1 75 75 GLU CB C 13 29.0 0.2 . 1 . . . . 75 GLU CB . 6736 1 560 . 1 1 75 75 GLU CG C 13 36.8 0.2 . 1 . . . . 75 GLU CG . 6736 1 561 . 1 1 75 75 GLU N N 15 119.7 0.2 . 1 . . . . 75 GLU N . 6736 1 562 . 1 1 76 76 ASP H H 1 7.96 0.01 . 1 . . . . 76 ASP HN . 6736 1 563 . 1 1 76 76 ASP HA H 1 4.54 0.01 . 1 . . . . 76 ASP HA . 6736 1 564 . 1 1 76 76 ASP HB2 H 1 2.30 0.01 . 2 . . . . 76 ASP HB2 . 6736 1 565 . 1 1 76 76 ASP HB3 H 1 2.79 0.01 . 2 . . . . 76 ASP HB3 . 6736 1 566 . 1 1 76 76 ASP CA C 13 57.4 0.2 . 1 . . . . 76 ASP CA . 6736 1 567 . 1 1 76 76 ASP CB C 13 39.5 0.2 . 1 . . . . 76 ASP CB . 6736 1 568 . 1 1 76 76 ASP N N 15 121.0 0.2 . 1 . . . . 76 ASP N . 6736 1 569 . 1 1 77 77 ALA H H 1 8.56 0.01 . 1 . . . . 77 ALA HN . 6736 1 570 . 1 1 77 77 ALA HA H 1 3.81 0.01 . 1 . . . . 77 ALA HA . 6736 1 571 . 1 1 77 77 ALA HB1 H 1 1.43 0.01 . 1 . . . . 77 ALA HB . 6736 1 572 . 1 1 77 77 ALA HB2 H 1 1.43 0.01 . 1 . . . . 77 ALA HB . 6736 1 573 . 1 1 77 77 ALA HB3 H 1 1.43 0.01 . 1 . . . . 77 ALA HB . 6736 1 574 . 1 1 77 77 ALA CA C 13 55.6 0.2 . 1 . . . . 77 ALA CA . 6736 1 575 . 1 1 77 77 ALA CB C 13 18.0 0.2 . 1 . . . . 77 ALA CB . 6736 1 576 . 1 1 77 77 ALA N N 15 122.6 0.2 . 1 . . . . 77 ALA N . 6736 1 577 . 1 1 78 78 GLN H H 1 8.03 0.01 . 1 . . . . 78 GLN HN . 6736 1 578 . 1 1 78 78 GLN HA H 1 3.96 0.01 . 1 . . . . 78 GLN HA . 6736 1 579 . 1 1 78 78 GLN HB2 H 1 2.28 0.01 . 2 . . . . 78 GLN HB2 . 6736 1 580 . 1 1 78 78 GLN HB3 H 1 2.13 0.01 . 2 . . . . 78 GLN HB3 . 6736 1 581 . 1 1 78 78 GLN HG2 H 1 2.47 0.01 . 2 . . . . 78 GLN HG2 . 6736 1 582 . 1 1 78 78 GLN HG3 H 1 2.51 0.01 . 2 . . . . 78 GLN HG3 . 6736 1 583 . 1 1 78 78 GLN HE21 H 1 7.27 0.01 . 2 . . . . 78 GLN HE21 . 6736 1 584 . 1 1 78 78 GLN HE22 H 1 7.02 0.01 . 2 . . . . 78 GLN HE22 . 6736 1 585 . 1 1 78 78 GLN CA C 13 58.2 0.2 . 1 . . . . 78 GLN CA . 6736 1 586 . 1 1 78 78 GLN CB C 13 27.6 0.2 . 1 . . . . 78 GLN CB . 6736 1 587 . 1 1 78 78 GLN CG C 13 32.8 0.2 . 1 . . . . 78 GLN CG . 6736 1 588 . 1 1 78 78 GLN N N 15 115.9 0.2 . 1 . . . . 78 GLN N . 6736 1 589 . 1 1 78 78 GLN NE2 N 15 111.2 0.2 . 1 . . . . 78 GLN NE2 . 6736 1 590 . 1 1 79 79 ARG H H 1 7.79 0.01 . 1 . . . . 79 ARG HN . 6736 1 591 . 1 1 79 79 ARG HA H 1 3.99 0.01 . 1 . . . . 79 ARG HA . 6736 1 592 . 1 1 79 79 ARG HB2 H 1 1.85 0.01 . 2 . . . . 79 ARG HB2 . 6736 1 593 . 1 1 79 79 ARG HB3 H 1 2.00 0.01 . 2 . . . . 79 ARG HB3 . 6736 1 594 . 1 1 79 79 ARG HG2 H 1 1.70 0.01 . 2 . . . . 79 ARG HG2 . 6736 1 595 . 1 1 79 79 ARG HG3 H 1 1.93 0.01 . 2 . . . . 79 ARG HG3 . 6736 1 596 . 1 1 79 79 ARG HD2 H 1 3.31 0.01 . 1 . . . . 79 ARG HD2 . 6736 1 597 . 1 1 79 79 ARG HD3 H 1 3.31 0.01 . 1 . . . . 79 ARG HD3 . 6736 1 598 . 1 1 79 79 ARG CA C 13 59.2 0.2 . 1 . . . . 79 ARG CA . 6736 1 599 . 1 1 79 79 ARG CB C 13 30.5 0.2 . 1 . . . . 79 ARG CB . 6736 1 600 . 1 1 79 79 ARG CG C 13 28.0 0.2 . 1 . . . . 79 ARG CG . 6736 1 601 . 1 1 79 79 ARG CD C 13 43.9 0.2 . 1 . . . . 79 ARG CD . 6736 1 602 . 1 1 79 79 ARG N N 15 117.4 0.2 . 1 . . . . 79 ARG N . 6736 1 603 . 1 1 80 80 LEU H H 1 8.07 0.01 . 1 . . . . 80 LEU HN . 6736 1 604 . 1 1 80 80 LEU HA H 1 3.93 0.01 . 1 . . . . 80 LEU HA . 6736 1 605 . 1 1 80 80 LEU HB2 H 1 1.02 0.01 . 2 . . . . 80 LEU HB2 . 6736 1 606 . 1 1 80 80 LEU HB3 H 1 2.02 0.01 . 2 . . . . 80 LEU HB3 . 6736 1 607 . 1 1 80 80 LEU HG H 1 1.70 0.01 . 1 . . . . 80 LEU HG . 6736 1 608 . 1 1 80 80 LEU HD11 H 1 0.79 0.01 . 2 . . . . 80 LEU HD1 . 6736 1 609 . 1 1 80 80 LEU HD12 H 1 0.79 0.01 . 2 . . . . 80 LEU HD1 . 6736 1 610 . 1 1 80 80 LEU HD13 H 1 0.79 0.01 . 2 . . . . 80 LEU HD1 . 6736 1 611 . 1 1 80 80 LEU HD21 H 1 0.76 0.01 . 2 . . . . 80 LEU HD2 . 6736 1 612 . 1 1 80 80 LEU HD22 H 1 0.76 0.01 . 2 . . . . 80 LEU HD2 . 6736 1 613 . 1 1 80 80 LEU HD23 H 1 0.76 0.01 . 2 . . . . 80 LEU HD2 . 6736 1 614 . 1 1 80 80 LEU CA C 13 57.7 0.2 . 1 . . . . 80 LEU CA . 6736 1 615 . 1 1 80 80 LEU CB C 13 41.6 0.2 . 1 . . . . 80 LEU CB . 6736 1 616 . 1 1 80 80 LEU CG C 13 27.4 0.2 . 1 . . . . 80 LEU CG . 6736 1 617 . 1 1 80 80 LEU CD1 C 13 26.9 0.2 . 1 . . . . 80 LEU CD1 . 6736 1 618 . 1 1 80 80 LEU CD2 C 13 23.9 0.2 . 1 . . . . 80 LEU CD2 . 6736 1 619 . 1 1 80 80 LEU N N 15 119.6 0.2 . 1 . . . . 80 LEU N . 6736 1 620 . 1 1 81 81 VAL H H 1 8.33 0.01 . 1 . . . . 81 VAL HN . 6736 1 621 . 1 1 81 81 VAL HA H 1 3.93 0.01 . 1 . . . . 81 VAL HA . 6736 1 622 . 1 1 81 81 VAL HB H 1 2.15 0.01 . 1 . . . . 81 VAL HB . 6736 1 623 . 1 1 81 81 VAL HG11 H 1 0.93 0.01 . 2 . . . . 81 VAL HG1 . 6736 1 624 . 1 1 81 81 VAL HG12 H 1 0.93 0.01 . 2 . . . . 81 VAL HG1 . 6736 1 625 . 1 1 81 81 VAL HG13 H 1 0.93 0.01 . 2 . . . . 81 VAL HG1 . 6736 1 626 . 1 1 81 81 VAL HG21 H 1 1.02 0.01 . 2 . . . . 81 VAL HG2 . 6736 1 627 . 1 1 81 81 VAL HG22 H 1 1.02 0.01 . 2 . . . . 81 VAL HG2 . 6736 1 628 . 1 1 81 81 VAL HG23 H 1 1.02 0.01 . 2 . . . . 81 VAL HG2 . 6736 1 629 . 1 1 81 81 VAL CA C 13 58.3 0.2 . 1 . . . . 81 VAL CA . 6736 1 630 . 1 1 81 81 VAL CB C 13 31.5 0.2 . 1 . . . . 81 VAL CB . 6736 1 631 . 1 1 81 81 VAL CG1 C 13 22.4 0.2 . 1 . . . . 81 VAL CG1 . 6736 1 632 . 1 1 81 81 VAL CG2 C 13 20.7 0.2 . 1 . . . . 81 VAL CG2 . 6736 1 633 . 1 1 81 81 VAL N N 15 121.6 0.2 . 1 . . . . 81 VAL N . 6736 1 634 . 1 1 82 82 VAL H H 1 8.53 0.01 . 1 . . . . 82 VAL HN . 6736 1 635 . 1 1 82 82 VAL HA H 1 3.72 0.01 . 1 . . . . 82 VAL HA . 6736 1 636 . 1 1 82 82 VAL HB H 1 2.17 0.01 . 1 . . . . 82 VAL HB . 6736 1 637 . 1 1 82 82 VAL HG11 H 1 1.00 0.01 . 2 . . . . 82 VAL HG1 . 6736 1 638 . 1 1 82 82 VAL HG12 H 1 1.00 0.01 . 2 . . . . 82 VAL HG1 . 6736 1 639 . 1 1 82 82 VAL HG13 H 1 1.00 0.01 . 2 . . . . 82 VAL HG1 . 6736 1 640 . 1 1 82 82 VAL HG21 H 1 1.13 0.01 . 2 . . . . 82 VAL HG2 . 6736 1 641 . 1 1 82 82 VAL HG22 H 1 1.13 0.01 . 2 . . . . 82 VAL HG2 . 6736 1 642 . 1 1 82 82 VAL HG23 H 1 1.13 0.01 . 2 . . . . 82 VAL HG2 . 6736 1 643 . 1 1 82 82 VAL CA C 13 66.2 0.2 . 1 . . . . 82 VAL CA . 6736 1 644 . 1 1 82 82 VAL CB C 13 31.45 0.2 . 1 . . . . 82 VAL CB . 6736 1 645 . 1 1 82 82 VAL CG1 C 13 21.0 0.2 . 1 . . . . 82 VAL CG1 . 6736 1 646 . 1 1 82 82 VAL CG2 C 13 23.0 0.2 . 1 . . . . 82 VAL CG2 . 6736 1 647 . 1 1 82 82 VAL N N 15 122.4 0.2 . 1 . . . . 82 VAL N . 6736 1 648 . 1 1 83 83 ALA H H 1 7.40 0.01 . 1 . . . . 83 ALA HN . 6736 1 649 . 1 1 83 83 ALA HA H 1 4.32 0.01 . 1 . . . . 83 ALA HA . 6736 1 650 . 1 1 83 83 ALA HB1 H 1 1.54 0.01 . 1 . . . . 83 ALA HB . 6736 1 651 . 1 1 83 83 ALA HB2 H 1 1.54 0.01 . 1 . . . . 83 ALA HB . 6736 1 652 . 1 1 83 83 ALA HB3 H 1 1.54 0.01 . 1 . . . . 83 ALA HB . 6736 1 653 . 1 1 83 83 ALA CA C 13 52.9 0.2 . 1 . . . . 83 ALA CA . 6736 1 654 . 1 1 83 83 ALA CB C 13 19.1 0.2 . 1 . . . . 83 ALA CB . 6736 1 655 . 1 1 83 83 ALA N N 15 118.9 0.2 . 1 . . . . 83 ALA N . 6736 1 656 . 1 1 84 84 GLY H H 1 7.60 0.01 . 1 . . . . 84 GLY HN . 6736 1 657 . 1 1 84 84 GLY HA2 H 1 3.67 0.01 . 2 . . . . 84 GLY HA1 . 6736 1 658 . 1 1 84 84 GLY HA3 H 1 4.50 0.01 . 2 . . . . 84 GLY HA2 . 6736 1 659 . 1 1 84 84 GLY CA C 13 44.4 0.2 . 1 . . . . 84 GLY CA . 6736 1 660 . 1 1 84 84 GLY N N 15 104.1 0.2 . 1 . . . . 84 GLY N . 6736 1 661 . 1 1 85 85 ALA H H 1 8.34 0.01 . 1 . . . . 85 ALA HN . 6736 1 662 . 1 1 85 85 ALA HA H 1 4.36 0.01 . 1 . . . . 85 ALA HA . 6736 1 663 . 1 1 85 85 ALA HB1 H 1 0.96 0.01 . 1 . . . . 85 ALA HB . 6736 1 664 . 1 1 85 85 ALA HB2 H 1 0.96 0.01 . 1 . . . . 85 ALA HB . 6736 1 665 . 1 1 85 85 ALA HB3 H 1 0.96 0.01 . 1 . . . . 85 ALA HB . 6736 1 666 . 1 1 85 85 ALA CA C 13 52.1 0.2 . 1 . . . . 85 ALA CA . 6736 1 667 . 1 1 85 85 ALA CB C 13 20.1 0.2 . 1 . . . . 85 ALA CB . 6736 1 668 . 1 1 85 85 ALA N N 15 124.6 0.2 . 1 . . . . 85 ALA N . 6736 1 669 . 1 1 86 86 GLU H H 1 7.94 0.01 . 1 . . . . 86 GLU HN . 6736 1 670 . 1 1 86 86 GLU HA H 1 4.17 0.01 . 1 . . . . 86 GLU HA . 6736 1 671 . 1 1 86 86 GLU HB2 H 1 2.09 0.01 . 2 . . . . 86 GLU HB2 . 6736 1 672 . 1 1 86 86 GLU HB3 H 1 2.14 0.01 . 2 . . . . 86 GLU HB3 . 6736 1 673 . 1 1 86 86 GLU HG2 H 1 2.06 0.01 . 2 . . . . 86 GLU HG2 . 6736 1 674 . 1 1 86 86 GLU HG3 H 1 2.36 0.01 . 2 . . . . 86 GLU HG3 . 6736 1 675 . 1 1 86 86 GLU CA C 13 56.8 0.2 . 1 . . . . 86 GLU CA . 6736 1 676 . 1 1 86 86 GLU CB C 13 30.2 0.2 . 1 . . . . 86 GLU CB . 6736 1 677 . 1 1 86 86 GLU CG C 13 35.9 0.2 . 1 . . . . 86 GLU CG . 6736 1 678 . 1 1 86 86 GLU N N 15 121.5 0.2 . 1 . . . . 86 GLU N . 6736 1 679 . 1 1 87 87 ASP H H 1 8.99 0.01 . 1 . . . . 87 ASP HN . 6736 1 680 . 1 1 87 87 ASP HA H 1 4.78 0.01 . 1 . . . . 87 ASP HA . 6736 1 681 . 1 1 87 87 ASP HB2 H 1 2.54 0.01 . 2 . . . . 87 ASP HB2 . 6736 1 682 . 1 1 87 87 ASP HB3 H 1 3.20 0.01 . 2 . . . . 87 ASP HB3 . 6736 1 683 . 1 1 87 87 ASP CA C 13 53.5 0.2 . 1 . . . . 87 ASP CA . 6736 1 684 . 1 1 87 87 ASP CB C 13 40.9 0.2 . 1 . . . . 87 ASP CB . 6736 1 685 . 1 1 87 87 ASP N N 15 127.2 0.2 . 1 . . . . 87 ASP N . 6736 1 686 . 1 1 88 88 GLN H H 1 9.38 0.01 . 1 . . . . 88 GLN HN . 6736 1 687 . 1 1 88 88 GLN HA H 1 4.70 0.01 . 1 . . . . 88 GLN HA . 6736 1 688 . 1 1 88 88 GLN HB2 H 1 1.95 0.01 . 2 . . . . 88 GLN HB2 . 6736 1 689 . 1 1 88 88 GLN HB3 H 1 2.41 0.01 . 2 . . . . 88 GLN HB3 . 6736 1 690 . 1 1 88 88 GLN HG2 H 1 2.32 0.01 . 2 . . . . 88 GLN HG2 . 6736 1 691 . 1 1 88 88 GLN HG3 H 1 2.18 0.01 . 2 . . . . 88 GLN HG3 . 6736 1 692 . 1 1 88 88 GLN HE21 H 1 6.77 0.01 . 2 . . . . 88 GLN HE21 . 6736 1 693 . 1 1 88 88 GLN HE22 H 1 7.63 0.01 . 2 . . . . 88 GLN HE22 . 6736 1 694 . 1 1 88 88 GLN CB C 13 27.9 0.2 . 1 . . . . 88 GLN CB . 6736 1 695 . 1 1 88 88 GLN CG C 13 33.7 0.2 . 1 . . . . 88 GLN CG . 6736 1 696 . 1 1 88 88 GLN N N 15 126.6 0.2 . 1 . . . . 88 GLN N . 6736 1 697 . 1 1 88 88 GLN NE2 N 15 111.6 0.2 . 1 . . . . 88 GLN NE2 . 6736 1 698 . 1 1 89 89 ARG H H 1 8.17 0.01 . 1 . . . . 89 ARG HN . 6736 1 699 . 1 1 89 89 ARG HA H 1 4.14 0.01 . 1 . . . . 89 ARG HA . 6736 1 700 . 1 1 89 89 ARG HB2 H 1 1.50 0.01 . 2 . . . . 89 ARG HB2 . 6736 1 701 . 1 1 89 89 ARG HB3 H 1 1.96 0.01 . 2 . . . . 89 ARG HB3 . 6736 1 702 . 1 1 89 89 ARG HG2 H 1 1.68 0.01 . 1 . . . . 89 ARG HG2 . 6736 1 703 . 1 1 89 89 ARG HG3 H 1 1.68 0.01 . 1 . . . . 89 ARG HG3 . 6736 1 704 . 1 1 89 89 ARG HD2 H 1 3.12 0.01 . 2 . . . . 89 ARG HD2 . 6736 1 705 . 1 1 89 89 ARG HD3 H 1 3.00 0.01 . 2 . . . . 89 ARG HD3 . 6736 1 706 . 1 1 89 89 ARG CA C 13 57.7 0.2 . 1 . . . . 89 ARG CA . 6736 1 707 . 1 1 89 89 ARG CB C 13 31.1 0.2 . 1 . . . . 89 ARG CB . 6736 1 708 . 1 1 89 89 ARG CG C 13 26.3 0.2 . 1 . . . . 89 ARG CG . 6736 1 709 . 1 1 89 89 ARG CD C 13 43.5 0.2 . 1 . . . . 89 ARG CD . 6736 1 710 . 1 1 89 89 ARG N N 15 120.5 0.2 . 1 . . . . 89 ARG N . 6736 1 711 . 1 1 90 90 ARG H H 1 8.77 0.01 . 1 . . . . 90 ARG HN . 6736 1 712 . 1 1 90 90 ARG HA H 1 4.34 0.01 . 1 . . . . 90 ARG HA . 6736 1 713 . 1 1 90 90 ARG HB2 H 1 1.85 0.01 . 2 . . . . 90 ARG HB2 . 6736 1 714 . 1 1 90 90 ARG HB3 H 1 1.83 0.01 . 2 . . . . 90 ARG HB3 . 6736 1 715 . 1 1 90 90 ARG HG2 H 1 1.48 0.01 . 2 . . . . 90 ARG HG2 . 6736 1 716 . 1 1 90 90 ARG HG3 H 1 1.65 0.01 . 2 . . . . 90 ARG HG3 . 6736 1 717 . 1 1 90 90 ARG HD2 H 1 3.09 0.01 . 1 . . . . 90 ARG HD2 . 6736 1 718 . 1 1 90 90 ARG HD3 H 1 3.09 0.01 . 1 . . . . 90 ARG HD3 . 6736 1 719 . 1 1 90 90 ARG CA C 13 56.4 0.2 . 1 . . . . 90 ARG CA . 6736 1 720 . 1 1 90 90 ARG CB C 13 31.4 0.2 . 1 . . . . 90 ARG CB . 6736 1 721 . 1 1 90 90 ARG CG C 13 27.4 0.2 . 1 . . . . 90 ARG CG . 6736 1 722 . 1 1 90 90 ARG CD C 13 43.3 0.2 . 1 . . . . 90 ARG CD . 6736 1 723 . 1 1 91 91 HIS H H 1 8.42 0.01 . 1 . . . . 91 HIS HN . 6736 1 724 . 1 1 91 91 HIS HA H 1 4.58 0.01 . 1 . . . . 91 HIS HA . 6736 1 725 . 1 1 91 91 HIS HB2 H 1 3.05 0.01 . 1 . . . . 91 HIS HB2 . 6736 1 726 . 1 1 91 91 HIS HB3 H 1 3.05 0.01 . 1 . . . . 91 HIS HB3 . 6736 1 727 . 1 1 91 91 HIS CA C 13 56.4 0.2 . 1 . . . . 91 HIS CA . 6736 1 728 . 1 1 91 91 HIS CB C 13 31.0 0.2 . 1 . . . . 91 HIS CB . 6736 1 729 . 1 1 92 92 LEU H H 1 8.13 0.01 . 1 . . . . 92 LEU HN . 6736 1 730 . 1 1 92 92 LEU HA H 1 4.33 0.01 . 1 . . . . 92 LEU HA . 6736 1 731 . 1 1 92 92 LEU HB2 H 1 1.51 0.01 . 2 . . . . 92 LEU HB2 . 6736 1 732 . 1 1 92 92 LEU HB3 H 1 1.60 0.01 . 2 . . . . 92 LEU HB3 . 6736 1 733 . 1 1 92 92 LEU HG H 1 1.40 0.01 . 1 . . . . 92 LEU HG . 6736 1 734 . 1 1 92 92 LEU HD11 H 1 0.78 0.01 . 2 . . . . 92 LEU HD1 . 6736 1 735 . 1 1 92 92 LEU HD12 H 1 0.78 0.01 . 2 . . . . 92 LEU HD1 . 6736 1 736 . 1 1 92 92 LEU HD13 H 1 0.78 0.01 . 2 . . . . 92 LEU HD1 . 6736 1 737 . 1 1 92 92 LEU HD21 H 1 0.83 0.01 . 2 . . . . 92 LEU HD2 . 6736 1 738 . 1 1 92 92 LEU HD22 H 1 0.83 0.01 . 2 . . . . 92 LEU HD2 . 6736 1 739 . 1 1 92 92 LEU HD23 H 1 0.83 0.01 . 2 . . . . 92 LEU HD2 . 6736 1 740 . 1 1 92 92 LEU CA C 13 54.7 0.2 . 1 . . . . 92 LEU CA . 6736 1 741 . 1 1 92 92 LEU CB C 13 41.9 0.2 . 1 . . . . 92 LEU CB . 6736 1 742 . 1 1 92 92 LEU CG C 13 26.6 0.2 . 1 . . . . 92 LEU CG . 6736 1 743 . 1 1 92 92 LEU CD1 C 13 23.0 0.2 . 1 . . . . 92 LEU CD1 . 6736 1 744 . 1 1 92 92 LEU CD2 C 13 24.9 0.2 . 1 . . . . 92 LEU CD2 . 6736 1 745 . 1 1 92 92 LEU N N 15 123.4 0.2 . 1 . . . . 92 LEU N . 6736 1 746 . 1 1 93 93 MET H H 1 8.32 0.01 . 1 . . . . 93 MET HN . 6736 1 747 . 1 1 93 93 MET HA H 1 4.49 0.01 . 1 . . . . 93 MET HA . 6736 1 748 . 1 1 93 93 MET HB2 H 1 2.31 0.01 . 2 . . . . 93 MET HB2 . 6736 1 749 . 1 1 93 93 MET HG2 H 1 2.30 0.01 . 2 . . . . 93 MET HG2 . 6736 1 750 . 1 1 93 93 MET HG3 H 1 2.40 0.01 . 2 . . . . 93 MET HG3 . 6736 1 751 . 1 1 93 93 MET CA C 13 55.2 0.2 . 1 . . . . 93 MET CA . 6736 1 752 . 1 1 93 93 MET CB C 13 33.0 0.2 . 1 . . . . 93 MET CB . 6736 1 753 . 1 1 93 93 MET CG C 13 36.0 0.2 . 1 . . . . 93 MET CG . 6736 1 754 . 1 1 93 93 MET N N 15 121.0 0.2 . 1 . . . . 93 MET N . 6736 1 755 . 1 1 94 94 ALA H H 1 8.33 0.01 . 1 . . . . 94 ALA HN . 6736 1 756 . 1 1 94 94 ALA HA H 1 4.32 0.01 . 1 . . . . 94 ALA HA . 6736 1 757 . 1 1 94 94 ALA HB1 H 1 1.41 0.01 . 1 . . . . 94 ALA HB . 6736 1 758 . 1 1 94 94 ALA HB2 H 1 1.41 0.01 . 1 . . . . 94 ALA HB . 6736 1 759 . 1 1 94 94 ALA HB3 H 1 1.41 0.01 . 1 . . . . 94 ALA HB . 6736 1 760 . 1 1 94 94 ALA CA C 13 52.5 0.2 . 1 . . . . 94 ALA CA . 6736 1 761 . 1 1 94 94 ALA CB C 13 19.3 0.2 . 1 . . . . 94 ALA CB . 6736 1 762 . 1 1 94 94 ALA N N 15 124.6 0.2 . 1 . . . . 94 ALA N . 6736 1 763 . 1 1 95 95 ASP HA H 1 4.64 0.01 . 1 . . . . 95 ASP HA . 6736 1 764 . 1 1 95 95 ASP HB2 H 1 2.69 0.01 . 2 . . . . 95 ASP HB2 . 6736 1 765 . 1 1 95 95 ASP HB3 H 1 2.81 0.01 . 2 . . . . 95 ASP HB3 . 6736 1 766 . 1 1 95 95 ASP CB C 13 40.8 0.2 . 1 . . . . 95 ASP CB . 6736 1 stop_ save_