data_15046 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15046 _Entry.Title ; 1H, 13C, and 15N resonance assignments of subunit F of the A1AO ATP synthase from Methanosarcina mazei Go1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-21 _Entry.Accession_date 2006-11-21 _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 solution _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 Shovanlal Gayen . . . 15046 2 Subramanian Vivekanandan . . . 15046 3 Goran Biukovic . . . 15046 4 Gerhard Gruber . . . 15046 5 'Ho Sup' Yoon . . . 15046 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15046 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 395 15046 '15N chemical shifts' 103 15046 '1H chemical shifts' 681 15046 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 . . 2009-08-31 2006-11-21 update BMRB 'complete entry citation' 15046 1 . . 2007-06-26 2006-11-21 original author 'original release' 15046 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2OV6 'BMRB Entry Tracking System' 15046 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15046 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636817 _Citation.Full_citation . _Citation.Title '1H, 13C, and 15N resonance assignments of subunit F of the A(1)A (O) ATP synthase from Methanosarcina mazei Go1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 1 _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 23 _Citation.Page_last 25 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shovanlal Gayen . . . 15046 1 2 Subramanian Vivekanandan . . . 15046 1 3 Goran Biukovic . . . 15046 1 4 Gerhard Gruber . . . 15046 1 5 'Ho Sup' Yoon . . . 15046 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'A1AO ATP synthase' 15046 1 'Methanosarcina mazei Go1' 15046 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15046 _Assembly.ID 1 _Assembly.Name 'Subunit F of the A1AO ATP synthase from Methanosarcina mazei Go1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _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 'subunit F' 1 $F_subunit_A_type_ATP_synthase A . yes native no no . . . 15046 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'ATP synthesis/hydrolysis' 15046 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_F_subunit_A_type_ATP_synthase _Entity.Sf_category entity _Entity.Sf_framecode F_subunit_A_type_ATP_synthase _Entity.Entry_ID 15046 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name F_subunit_A_type_ATP_synthase _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 ; MKHHHHHHPMELAVIGKSEF VTGFRLAGISKVYETPDIPA TESAVRSVLEDKSVGILVMH NDDIGNLPEVLRKNLNESVQ PTVVALGGSGSGSTSLREKI KQAVGVDLWK ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'subunit F' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11944.677 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2OV6 . "The Nmr Structure Of Subunit F Of The Methanogenic A1ao Atp Synthase And Its Interaction With The Nucleotide-Binding Subunit B" . . . . . 91.82 101 100.00 100.00 2.56e-64 . . . . 15046 1 2 no GB AAC06374 . "A1AO H+ ATPase, subunit F [Methanosarcina mazei Go1]" . . . . . 91.82 101 100.00 100.00 2.56e-64 . . . . 15046 1 3 no GB AAM30477 . "A1AO H+ ATPase subunit F [Methanosarcina mazei Go1]" . . . . . 91.82 101 100.00 100.00 2.56e-64 . . . . 15046 1 4 no GB AGF96210 . "V-type ATP synthase subunit F [Methanosarcina mazei Tuc01]" . . . . . 88.18 97 98.97 100.00 8.31e-61 . . . . 15046 1 5 no GB AKB39529 . "V-type ATP synthase subunit F [Methanosarcina mazei WWM610]" . . . . . 91.82 101 100.00 100.00 2.56e-64 . . . . 15046 1 6 no GB AKB60502 . "V-type ATP synthase subunit F [Methanosarcina mazei SarPi]" . . . . . 91.82 101 100.00 100.00 2.56e-64 . . . . 15046 1 7 no REF WP_011032731 . "MULTISPECIES: ATP synthase subunit F [Methanosarcina]" . . . . . 91.82 101 100.00 100.00 2.56e-64 . . . . 15046 1 8 no REF WP_048048603 . "ATP synthase subunit F [Methanosarcina mazei]" . . . . . 91.82 101 99.01 99.01 2.03e-63 . . . . 15046 1 9 no REF WP_054869506 . "ATP synthase subunit F [Methanosarcina mazei]" . . . . . 92.73 102 99.02 99.02 2.43e-62 . . . . 15046 1 10 no SP Q60185 . "RecName: Full=V-type ATP synthase subunit F; AltName: Full=V-ATPase subunit F" . . . . . 91.82 101 100.00 100.00 2.56e-64 . . . . 15046 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 -7 MET . 15046 1 2 -6 LYS . 15046 1 3 -5 HIS . 15046 1 4 -4 HIS . 15046 1 5 -3 HIS . 15046 1 6 -2 HIS . 15046 1 7 -1 HIS . 15046 1 8 0 HIS . 15046 1 9 1 PRO . 15046 1 10 2 MET . 15046 1 11 3 GLU . 15046 1 12 4 LEU . 15046 1 13 5 ALA . 15046 1 14 6 VAL . 15046 1 15 7 ILE . 15046 1 16 8 GLY . 15046 1 17 9 LYS . 15046 1 18 10 SER . 15046 1 19 11 GLU . 15046 1 20 12 PHE . 15046 1 21 13 VAL . 15046 1 22 14 THR . 15046 1 23 15 GLY . 15046 1 24 16 PHE . 15046 1 25 17 ARG . 15046 1 26 18 LEU . 15046 1 27 19 ALA . 15046 1 28 20 GLY . 15046 1 29 21 ILE . 15046 1 30 22 SER . 15046 1 31 23 LYS . 15046 1 32 24 VAL . 15046 1 33 25 TYR . 15046 1 34 26 GLU . 15046 1 35 27 THR . 15046 1 36 28 PRO . 15046 1 37 29 ASP . 15046 1 38 30 ILE . 15046 1 39 31 PRO . 15046 1 40 32 ALA . 15046 1 41 33 THR . 15046 1 42 34 GLU . 15046 1 43 35 SER . 15046 1 44 36 ALA . 15046 1 45 37 VAL . 15046 1 46 38 ARG . 15046 1 47 39 SER . 15046 1 48 40 VAL . 15046 1 49 41 LEU . 15046 1 50 42 GLU . 15046 1 51 43 ASP . 15046 1 52 44 LYS . 15046 1 53 45 SER . 15046 1 54 46 VAL . 15046 1 55 47 GLY . 15046 1 56 48 ILE . 15046 1 57 49 LEU . 15046 1 58 50 VAL . 15046 1 59 51 MET . 15046 1 60 52 HIS . 15046 1 61 53 ASN . 15046 1 62 54 ASP . 15046 1 63 55 ASP . 15046 1 64 56 ILE . 15046 1 65 57 GLY . 15046 1 66 58 ASN . 15046 1 67 59 LEU . 15046 1 68 60 PRO . 15046 1 69 61 GLU . 15046 1 70 62 VAL . 15046 1 71 63 LEU . 15046 1 72 64 ARG . 15046 1 73 65 LYS . 15046 1 74 66 ASN . 15046 1 75 67 LEU . 15046 1 76 68 ASN . 15046 1 77 69 GLU . 15046 1 78 70 SER . 15046 1 79 71 VAL . 15046 1 80 72 GLN . 15046 1 81 73 PRO . 15046 1 82 74 THR . 15046 1 83 75 VAL . 15046 1 84 76 VAL . 15046 1 85 77 ALA . 15046 1 86 78 LEU . 15046 1 87 79 GLY . 15046 1 88 80 GLY . 15046 1 89 81 SER . 15046 1 90 82 GLY . 15046 1 91 83 SER . 15046 1 92 84 GLY . 15046 1 93 85 SER . 15046 1 94 86 THR . 15046 1 95 87 SER . 15046 1 96 88 LEU . 15046 1 97 89 ARG . 15046 1 98 90 GLU . 15046 1 99 91 LYS . 15046 1 100 92 ILE . 15046 1 101 93 LYS . 15046 1 102 94 GLN . 15046 1 103 95 ALA . 15046 1 104 96 VAL . 15046 1 105 97 GLY . 15046 1 106 98 VAL . 15046 1 107 99 ASP . 15046 1 108 100 LEU . 15046 1 109 101 TRP . 15046 1 110 102 LYS . 15046 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 15046 1 . LYS 2 2 15046 1 . HIS 3 3 15046 1 . HIS 4 4 15046 1 . HIS 5 5 15046 1 . HIS 6 6 15046 1 . HIS 7 7 15046 1 . HIS 8 8 15046 1 . PRO 9 9 15046 1 . MET 10 10 15046 1 . GLU 11 11 15046 1 . LEU 12 12 15046 1 . ALA 13 13 15046 1 . VAL 14 14 15046 1 . ILE 15 15 15046 1 . GLY 16 16 15046 1 . LYS 17 17 15046 1 . SER 18 18 15046 1 . GLU 19 19 15046 1 . PHE 20 20 15046 1 . VAL 21 21 15046 1 . THR 22 22 15046 1 . GLY 23 23 15046 1 . PHE 24 24 15046 1 . ARG 25 25 15046 1 . LEU 26 26 15046 1 . ALA 27 27 15046 1 . GLY 28 28 15046 1 . ILE 29 29 15046 1 . SER 30 30 15046 1 . LYS 31 31 15046 1 . VAL 32 32 15046 1 . TYR 33 33 15046 1 . GLU 34 34 15046 1 . THR 35 35 15046 1 . PRO 36 36 15046 1 . ASP 37 37 15046 1 . ILE 38 38 15046 1 . PRO 39 39 15046 1 . ALA 40 40 15046 1 . THR 41 41 15046 1 . GLU 42 42 15046 1 . SER 43 43 15046 1 . ALA 44 44 15046 1 . VAL 45 45 15046 1 . ARG 46 46 15046 1 . SER 47 47 15046 1 . VAL 48 48 15046 1 . LEU 49 49 15046 1 . GLU 50 50 15046 1 . ASP 51 51 15046 1 . LYS 52 52 15046 1 . SER 53 53 15046 1 . VAL 54 54 15046 1 . GLY 55 55 15046 1 . ILE 56 56 15046 1 . LEU 57 57 15046 1 . VAL 58 58 15046 1 . MET 59 59 15046 1 . HIS 60 60 15046 1 . ASN 61 61 15046 1 . ASP 62 62 15046 1 . ASP 63 63 15046 1 . ILE 64 64 15046 1 . GLY 65 65 15046 1 . ASN 66 66 15046 1 . LEU 67 67 15046 1 . PRO 68 68 15046 1 . GLU 69 69 15046 1 . VAL 70 70 15046 1 . LEU 71 71 15046 1 . ARG 72 72 15046 1 . LYS 73 73 15046 1 . ASN 74 74 15046 1 . LEU 75 75 15046 1 . ASN 76 76 15046 1 . GLU 77 77 15046 1 . SER 78 78 15046 1 . VAL 79 79 15046 1 . GLN 80 80 15046 1 . PRO 81 81 15046 1 . THR 82 82 15046 1 . VAL 83 83 15046 1 . VAL 84 84 15046 1 . ALA 85 85 15046 1 . LEU 86 86 15046 1 . GLY 87 87 15046 1 . GLY 88 88 15046 1 . SER 89 89 15046 1 . GLY 90 90 15046 1 . SER 91 91 15046 1 . GLY 92 92 15046 1 . SER 93 93 15046 1 . THR 94 94 15046 1 . SER 95 95 15046 1 . LEU 96 96 15046 1 . ARG 97 97 15046 1 . GLU 98 98 15046 1 . LYS 99 99 15046 1 . ILE 100 100 15046 1 . LYS 101 101 15046 1 . GLN 102 102 15046 1 . ALA 103 103 15046 1 . VAL 104 104 15046 1 . GLY 105 105 15046 1 . VAL 106 106 15046 1 . ASP 107 107 15046 1 . LEU 108 108 15046 1 . TRP 109 109 15046 1 . LYS 110 110 15046 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 15046 _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 $F_subunit_A_type_ATP_synthase . 2209 organism . 'Methanosarcina mazei Go1' 'Methanosarcina mazei Go1' . . Archaea . Methanosarcina mazei . . . . . . . . . . . . . . . . . . . . . 15046 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 15046 _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 $F_subunit_A_type_ATP_synthase . 'recombinant technology' 'Escherichia coli' . . . . . bl21 . . . . . . . . . . . . . . . 'pet 9d' . . . . . . 15046 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15046 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'F subunit A type ATP synthase' '[U-13C; U-15N]' . . 1 $F_subunit_A_type_ATP_synthase . . . 0.1 0.5 mM . . . . 15046 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15046 _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 'ionic strength' 0 . M 15046 1 pH 6.5 . pH 15046 1 pressure 1 . atm 15046 1 temperature 288 . K 15046 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15046 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15046 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15046 1 processing 15046 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15046 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15046 _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 spectrometer_1 Bruker Avance . 600 . . . 15046 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 15046 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15046 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15046 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15046 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15046 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15046 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15046 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15046 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15046 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15046 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15046 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15046 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode DSS _Chem_shift_reference.Entry_ID 15046 _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 na indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15046 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 15046 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15046 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15046 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $DSS _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.30 _Assigned_chem_shift_list.Chem_shift_15N_err 0.60 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15046 1 2 '3D HNCACB' . . . 15046 1 3 '3D CBCA(CO)NH' . . . 15046 1 4 '3D HNCA' . . . 15046 1 5 '3D HNCO' . . . 15046 1 6 '3D HN(CO)CA' . . . 15046 1 7 '3D 1H-15N NOESY' . . . 15046 1 8 '3D HCCH-TOCSY' . . . 15046 1 9 '3D C(CO)NH' . . . 15046 1 10 '3D H(CCO)NH' . . . 15046 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 15046 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 9 9 PRO HA H 1 4.193 0.020 . 1 . . . . 1 PRO HA . 15046 1 2 . 1 1 9 9 PRO HB2 H 1 2.092 0.020 . 2 . . . . 1 PRO HB2 . 15046 1 3 . 1 1 9 9 PRO HB3 H 1 1.842 0.020 . 2 . . . . 1 PRO HB3 . 15046 1 4 . 1 1 9 9 PRO HG2 H 1 1.762 0.020 . 1 . . . . 1 PRO HG2 . 15046 1 5 . 1 1 9 9 PRO HG3 H 1 1.762 0.020 . 1 . . . . 1 PRO HG3 . 15046 1 6 . 1 1 9 9 PRO HD2 H 1 3.493 0.020 . 2 . . . . 1 PRO HD2 . 15046 1 7 . 1 1 9 9 PRO HD3 H 1 3.248 0.020 . 2 . . . . 1 PRO HD3 . 15046 1 8 . 1 1 9 9 PRO C C 13 174.100 0.400 . 1 . . . . 1 PRO C . 15046 1 9 . 1 1 9 9 PRO CA C 13 60.950 0.400 . 1 . . . . 1 PRO CA . 15046 1 10 . 1 1 9 9 PRO CB C 13 29.320 0.400 . 1 . . . . 1 PRO CB . 15046 1 11 . 1 1 9 9 PRO CG C 13 24.540 0.400 . 1 . . . . 1 PRO CG . 15046 1 12 . 1 1 9 9 PRO CD C 13 47.880 0.400 . 1 . . . . 1 PRO CD . 15046 1 13 . 1 1 10 10 MET H H 1 8.610 0.020 . 1 . . . . 2 MET H . 15046 1 14 . 1 1 10 10 MET HA H 1 4.559 0.020 . 1 . . . . 2 MET HA . 15046 1 15 . 1 1 10 10 MET HB2 H 1 1.895 0.020 . 2 . . . . 2 MET HB2 . 15046 1 16 . 1 1 10 10 MET HB3 H 1 2.049 0.020 . 2 . . . . 2 MET HB3 . 15046 1 17 . 1 1 10 10 MET HG2 H 1 2.399 0.020 . 2 . . . . 2 MET HG2 . 15046 1 18 . 1 1 10 10 MET HG3 H 1 2.471 0.020 . 2 . . . . 2 MET HG3 . 15046 1 19 . 1 1 10 10 MET C C 13 173.000 0.400 . 1 . . . . 2 MET C . 15046 1 20 . 1 1 10 10 MET CA C 13 52.240 0.400 . 1 . . . . 2 MET CA . 15046 1 21 . 1 1 10 10 MET CB C 13 29.840 0.400 . 1 . . . . 2 MET CB . 15046 1 22 . 1 1 10 10 MET CG C 13 29.420 0.400 . 1 . . . . 2 MET CG . 15046 1 23 . 1 1 10 10 MET N N 15 119.600 0.400 . 1 . . . . 2 MET N . 15046 1 24 . 1 1 11 11 GLU H H 1 8.242 0.020 . 1 . . . . 3 GLU H . 15046 1 25 . 1 1 11 11 GLU HA H 1 4.525 0.020 . 1 . . . . 3 GLU HA . 15046 1 26 . 1 1 11 11 GLU HB2 H 1 1.867 0.020 . 2 . . . . 3 GLU HB2 . 15046 1 27 . 1 1 11 11 GLU HB3 H 1 1.765 0.020 . 2 . . . . 3 GLU HB3 . 15046 1 28 . 1 1 11 11 GLU HG2 H 1 2.165 0.020 . 2 . . . . 3 GLU HG2 . 15046 1 29 . 1 1 11 11 GLU HG3 H 1 2.212 0.020 . 2 . . . . 3 GLU HG3 . 15046 1 30 . 1 1 11 11 GLU C C 13 173.100 0.400 . 1 . . . . 3 GLU C . 15046 1 31 . 1 1 11 11 GLU CA C 13 53.600 0.400 . 1 . . . . 3 GLU CA . 15046 1 32 . 1 1 11 11 GLU CB C 13 28.530 0.400 . 1 . . . . 3 GLU CB . 15046 1 33 . 1 1 11 11 GLU CG C 13 33.620 0.400 . 1 . . . . 3 GLU CG . 15046 1 34 . 1 1 11 11 GLU N N 15 118.700 0.400 . 1 . . . . 3 GLU N . 15046 1 35 . 1 1 12 12 LEU H H 1 8.406 0.020 . 1 . . . . 4 LEU H . 15046 1 36 . 1 1 12 12 LEU HA H 1 5.148 0.020 . 1 . . . . 4 LEU HA . 15046 1 37 . 1 1 12 12 LEU HB2 H 1 1.452 0.020 . 1 . . . . 4 LEU HB2 . 15046 1 38 . 1 1 12 12 LEU HB3 H 1 1.452 0.020 . 1 . . . . 4 LEU HB3 . 15046 1 39 . 1 1 12 12 LEU HG H 1 1.702 0.020 . 1 . . . . 4 LEU HG . 15046 1 40 . 1 1 12 12 LEU HD11 H 1 0.631 0.020 . 2 . . . . 4 LEU HD1 . 15046 1 41 . 1 1 12 12 LEU HD12 H 1 0.631 0.020 . 2 . . . . 4 LEU HD1 . 15046 1 42 . 1 1 12 12 LEU HD13 H 1 0.631 0.020 . 2 . . . . 4 LEU HD1 . 15046 1 43 . 1 1 12 12 LEU HD21 H 1 0.704 0.020 . 2 . . . . 4 LEU HD2 . 15046 1 44 . 1 1 12 12 LEU HD22 H 1 0.704 0.020 . 2 . . . . 4 LEU HD2 . 15046 1 45 . 1 1 12 12 LEU HD23 H 1 0.704 0.020 . 2 . . . . 4 LEU HD2 . 15046 1 46 . 1 1 12 12 LEU C C 13 171.800 0.400 . 1 . . . . 4 LEU C . 15046 1 47 . 1 1 12 12 LEU CA C 13 51.690 0.400 . 1 . . . . 4 LEU CA . 15046 1 48 . 1 1 12 12 LEU CB C 13 42.340 0.400 . 1 . . . . 4 LEU CB . 15046 1 49 . 1 1 12 12 LEU CG C 13 29.650 0.400 . 1 . . . . 4 LEU CG . 15046 1 50 . 1 1 12 12 LEU CD1 C 13 23.490 0.400 . 1 . . . . 4 LEU CD1 . 15046 1 51 . 1 1 12 12 LEU CD2 C 13 22.810 0.400 . 1 . . . . 4 LEU CD2 . 15046 1 52 . 1 1 12 12 LEU N N 15 124.900 0.400 . 1 . . . . 4 LEU N . 15046 1 53 . 1 1 13 13 ALA H H 1 8.704 0.020 . 1 . . . . 5 ALA H . 15046 1 54 . 1 1 13 13 ALA HA H 1 5.439 0.020 . 1 . . . . 5 ALA HA . 15046 1 55 . 1 1 13 13 ALA HB1 H 1 1.299 0.020 . 1 . . . . 5 ALA HB . 15046 1 56 . 1 1 13 13 ALA HB2 H 1 1.299 0.020 . 1 . . . . 5 ALA HB . 15046 1 57 . 1 1 13 13 ALA HB3 H 1 1.299 0.020 . 1 . . . . 5 ALA HB . 15046 1 58 . 1 1 13 13 ALA C C 13 172.600 0.400 . 1 . . . . 5 ALA C . 15046 1 59 . 1 1 13 13 ALA CA C 13 47.370 0.400 . 1 . . . . 5 ALA CA . 15046 1 60 . 1 1 13 13 ALA CB C 13 22.090 0.400 . 1 . . . . 5 ALA CB . 15046 1 61 . 1 1 13 13 ALA N N 15 123.000 0.400 . 1 . . . . 5 ALA N . 15046 1 62 . 1 1 14 14 VAL H H 1 8.319 0.020 . 1 . . . . 6 VAL H . 15046 1 63 . 1 1 14 14 VAL HA H 1 5.021 0.020 . 1 . . . . 6 VAL HA . 15046 1 64 . 1 1 14 14 VAL HB H 1 1.351 0.020 . 1 . . . . 6 VAL HB . 15046 1 65 . 1 1 14 14 VAL HG11 H 1 0.147 0.020 . 2 . . . . 6 VAL HG1 . 15046 1 66 . 1 1 14 14 VAL HG12 H 1 0.147 0.020 . 2 . . . . 6 VAL HG1 . 15046 1 67 . 1 1 14 14 VAL HG13 H 1 0.147 0.020 . 2 . . . . 6 VAL HG1 . 15046 1 68 . 1 1 14 14 VAL HG21 H 1 0.356 0.020 . 2 . . . . 6 VAL HG2 . 15046 1 69 . 1 1 14 14 VAL HG22 H 1 0.356 0.020 . 2 . . . . 6 VAL HG2 . 15046 1 70 . 1 1 14 14 VAL HG23 H 1 0.356 0.020 . 2 . . . . 6 VAL HG2 . 15046 1 71 . 1 1 14 14 VAL C C 13 170.600 0.400 . 1 . . . . 6 VAL C . 15046 1 72 . 1 1 14 14 VAL CA C 13 57.040 0.400 . 1 . . . . 6 VAL CA . 15046 1 73 . 1 1 14 14 VAL CB C 13 32.800 0.400 . 1 . . . . 6 VAL CB . 15046 1 74 . 1 1 14 14 VAL CG1 C 13 18.530 0.400 . 1 . . . . 6 VAL CG1 . 15046 1 75 . 1 1 14 14 VAL CG2 C 13 17.910 0.400 . 1 . . . . 6 VAL CG2 . 15046 1 76 . 1 1 14 14 VAL N N 15 118.400 0.400 . 1 . . . . 6 VAL N . 15046 1 77 . 1 1 15 15 ILE H H 1 7.884 0.020 . 1 . . . . 7 ILE H . 15046 1 78 . 1 1 15 15 ILE HA H 1 5.190 0.020 . 1 . . . . 7 ILE HA . 15046 1 79 . 1 1 15 15 ILE HB H 1 1.661 0.020 . 1 . . . . 7 ILE HB . 15046 1 80 . 1 1 15 15 ILE HG12 H 1 1.461 0.020 . 2 . . . . 7 ILE HG12 . 15046 1 81 . 1 1 15 15 ILE HG13 H 1 1.473 0.020 . 2 . . . . 7 ILE HG13 . 15046 1 82 . 1 1 15 15 ILE HG21 H 1 0.908 0.020 . 1 . . . . 7 ILE HG2 . 15046 1 83 . 1 1 15 15 ILE HG22 H 1 0.908 0.020 . 1 . . . . 7 ILE HG2 . 15046 1 84 . 1 1 15 15 ILE HG23 H 1 0.908 0.020 . 1 . . . . 7 ILE HG2 . 15046 1 85 . 1 1 15 15 ILE HD11 H 1 0.669 0.020 . 1 . . . . 7 ILE HD1 . 15046 1 86 . 1 1 15 15 ILE HD12 H 1 0.669 0.020 . 1 . . . . 7 ILE HD1 . 15046 1 87 . 1 1 15 15 ILE HD13 H 1 0.669 0.020 . 1 . . . . 7 ILE HD1 . 15046 1 88 . 1 1 15 15 ILE C C 13 172.400 0.400 . 1 . . . . 7 ILE C . 15046 1 89 . 1 1 15 15 ILE CA C 13 56.630 0.400 . 1 . . . . 7 ILE CA . 15046 1 90 . 1 1 15 15 ILE CB C 13 40.980 0.400 . 1 . . . . 7 ILE CB . 15046 1 91 . 1 1 15 15 ILE CG1 C 13 23.900 0.400 . 1 . . . . 7 ILE CG1 . 15046 1 92 . 1 1 15 15 ILE CG2 C 13 14.920 0.400 . 1 . . . . 7 ILE CG2 . 15046 1 93 . 1 1 15 15 ILE CD1 C 13 11.900 0.400 . 1 . . . . 7 ILE CD1 . 15046 1 94 . 1 1 15 15 ILE N N 15 125.700 0.400 . 1 . . . . 7 ILE N . 15046 1 95 . 1 1 16 16 GLY H H 1 8.284 0.020 . 1 . . . . 8 GLY H . 15046 1 96 . 1 1 16 16 GLY HA2 H 1 3.843 0.020 . 2 . . . . 8 GLY HA2 . 15046 1 97 . 1 1 16 16 GLY HA3 H 1 4.588 0.020 . 2 . . . . 8 GLY HA3 . 15046 1 98 . 1 1 16 16 GLY C C 13 169.000 0.400 . 1 . . . . 8 GLY C . 15046 1 99 . 1 1 16 16 GLY CA C 13 42.470 0.400 . 1 . . . . 8 GLY CA . 15046 1 100 . 1 1 16 16 GLY N N 15 112.000 0.400 . 1 . . . . 8 GLY N . 15046 1 101 . 1 1 17 17 LYS H H 1 9.168 0.020 . 1 . . . . 9 LYS H . 15046 1 102 . 1 1 17 17 LYS HA H 1 4.324 0.020 . 1 . . . . 9 LYS HA . 15046 1 103 . 1 1 17 17 LYS HB2 H 1 1.739 0.020 . 2 . . . . 9 LYS HB2 . 15046 1 104 . 1 1 17 17 LYS HB3 H 1 2.042 0.020 . 2 . . . . 9 LYS HB3 . 15046 1 105 . 1 1 17 17 LYS HG2 H 1 1.560 0.020 . 2 . . . . 9 LYS HG2 . 15046 1 106 . 1 1 17 17 LYS HG3 H 1 1.546 0.020 . 2 . . . . 9 LYS HG3 . 15046 1 107 . 1 1 17 17 LYS HD2 H 1 1.697 0.020 . 2 . . . . 9 LYS HD2 . 15046 1 108 . 1 1 17 17 LYS HD3 H 1 1.658 0.020 . 2 . . . . 9 LYS HD3 . 15046 1 109 . 1 1 17 17 LYS HE2 H 1 2.895 0.020 . 2 . . . . 9 LYS HE2 . 15046 1 110 . 1 1 17 17 LYS HE3 H 1 3.275 0.020 . 2 . . . . 9 LYS HE3 . 15046 1 111 . 1 1 17 17 LYS HZ1 H 1 7.279 0.020 . 1 . . . . 9 LYS HZ1 . 15046 1 112 . 1 1 17 17 LYS HZ2 H 1 7.279 0.020 . 1 . . . . 9 LYS HZ2 . 15046 1 113 . 1 1 17 17 LYS HZ3 H 1 7.279 0.020 . 1 . . . . 9 LYS HZ3 . 15046 1 114 . 1 1 17 17 LYS C C 13 176.300 0.400 . 1 . . . . 9 LYS C . 15046 1 115 . 1 1 17 17 LYS CA C 13 53.530 0.400 . 1 . . . . 9 LYS CA . 15046 1 116 . 1 1 17 17 LYS CB C 13 31.110 0.400 . 1 . . . . 9 LYS CB . 15046 1 117 . 1 1 17 17 LYS CG C 13 22.520 0.400 . 1 . . . . 9 LYS CG . 15046 1 118 . 1 1 17 17 LYS CD C 13 25.740 0.400 . 1 . . . . 9 LYS CD . 15046 1 119 . 1 1 17 17 LYS CE C 13 39.160 0.400 . 1 . . . . 9 LYS CE . 15046 1 120 . 1 1 17 17 LYS N N 15 119.300 0.400 . 1 . . . . 9 LYS N . 15046 1 121 . 1 1 18 18 SER H H 1 9.347 0.020 . 1 . . . . 10 SER H . 15046 1 122 . 1 1 18 18 SER HA H 1 3.827 0.020 . 1 . . . . 10 SER HA . 15046 1 123 . 1 1 18 18 SER HB2 H 1 3.771 0.020 . 1 . . . . 10 SER HB2 . 15046 1 124 . 1 1 18 18 SER HB3 H 1 3.771 0.020 . 1 . . . . 10 SER HB3 . 15046 1 125 . 1 1 18 18 SER C C 13 174.500 0.400 . 1 . . . . 10 SER C . 15046 1 126 . 1 1 18 18 SER CA C 13 60.200 0.400 . 1 . . . . 10 SER CA . 15046 1 127 . 1 1 18 18 SER CB C 13 62.110 0.400 . 1 . . . . 10 SER CB . 15046 1 128 . 1 1 18 18 SER N N 15 116.700 0.400 . 1 . . . . 10 SER N . 15046 1 129 . 1 1 19 19 GLU H H 1 9.453 0.020 . 1 . . . . 11 GLU H . 15046 1 130 . 1 1 19 19 GLU HA H 1 4.010 0.020 . 1 . . . . 11 GLU HA . 15046 1 131 . 1 1 19 19 GLU HB2 H 1 1.958 0.020 . 1 . . . . 11 GLU HB2 . 15046 1 132 . 1 1 19 19 GLU HB3 H 1 1.958 0.020 . 1 . . . . 11 GLU HB3 . 15046 1 133 . 1 1 19 19 GLU HG2 H 1 2.254 0.020 . 1 . . . . 11 GLU HG2 . 15046 1 134 . 1 1 19 19 GLU HG3 H 1 2.254 0.020 . 1 . . . . 11 GLU HG3 . 15046 1 135 . 1 1 19 19 GLU C C 13 174.200 0.400 . 1 . . . . 11 GLU C . 15046 1 136 . 1 1 19 19 GLU CA C 13 56.880 0.400 . 1 . . . . 11 GLU CA . 15046 1 137 . 1 1 19 19 GLU N N 15 118.900 0.400 . 1 . . . . 11 GLU N . 15046 1 138 . 1 1 20 20 PHE H H 1 7.585 0.020 . 1 . . . . 12 PHE H . 15046 1 139 . 1 1 20 20 PHE HA H 1 4.651 0.020 . 1 . . . . 12 PHE HA . 15046 1 140 . 1 1 20 20 PHE HB2 H 1 3.169 0.020 . 2 . . . . 12 PHE HB2 . 15046 1 141 . 1 1 20 20 PHE HB3 H 1 3.288 0.020 . 2 . . . . 12 PHE HB3 . 15046 1 142 . 1 1 20 20 PHE HD1 H 1 7.273 0.020 . 1 . . . . 12 PHE HD1 . 15046 1 143 . 1 1 20 20 PHE HD2 H 1 7.273 0.020 . 1 . . . . 12 PHE HD2 . 15046 1 144 . 1 1 20 20 PHE HE1 H 1 7.583 0.020 . 1 . . . . 12 PHE HE1 . 15046 1 145 . 1 1 20 20 PHE HE2 H 1 7.583 0.020 . 1 . . . . 12 PHE HE2 . 15046 1 146 . 1 1 20 20 PHE C C 13 174.300 0.400 . 1 . . . . 12 PHE C . 15046 1 147 . 1 1 20 20 PHE CA C 13 57.000 0.400 . 1 . . . . 12 PHE CA . 15046 1 148 . 1 1 20 20 PHE N N 15 119.700 0.400 . 1 . . . . 12 PHE N . 15046 1 149 . 1 1 21 21 VAL H H 1 8.154 0.020 . 1 . . . . 13 VAL H . 15046 1 150 . 1 1 21 21 VAL HA H 1 3.946 0.020 . 1 . . . . 13 VAL HA . 15046 1 151 . 1 1 21 21 VAL HB H 1 2.054 0.020 . 1 . . . . 13 VAL HB . 15046 1 152 . 1 1 21 21 VAL HG11 H 1 0.744 0.020 . 2 . . . . 13 VAL HG1 . 15046 1 153 . 1 1 21 21 VAL HG12 H 1 0.744 0.020 . 2 . . . . 13 VAL HG1 . 15046 1 154 . 1 1 21 21 VAL HG13 H 1 0.744 0.020 . 2 . . . . 13 VAL HG1 . 15046 1 155 . 1 1 21 21 VAL HG21 H 1 0.744 0.020 . 2 . . . . 13 VAL HG2 . 15046 1 156 . 1 1 21 21 VAL HG22 H 1 0.744 0.020 . 2 . . . . 13 VAL HG2 . 15046 1 157 . 1 1 21 21 VAL HG23 H 1 0.744 0.020 . 2 . . . . 13 VAL HG2 . 15046 1 158 . 1 1 21 21 VAL C C 13 175.900 0.400 . 1 . . . . 13 VAL C . 15046 1 159 . 1 1 21 21 VAL CA C 13 61.000 0.400 . 1 . . . . 13 VAL CA . 15046 1 160 . 1 1 21 21 VAL CB C 13 29.190 0.400 . 1 . . . . 13 VAL CB . 15046 1 161 . 1 1 21 21 VAL CG1 C 13 16.500 0.400 . 1 . . . . 13 VAL CG1 . 15046 1 162 . 1 1 21 21 VAL CG2 C 13 16.500 0.400 . 1 . . . . 13 VAL CG2 . 15046 1 163 . 1 1 21 21 VAL N N 15 108.300 0.400 . 1 . . . . 13 VAL N . 15046 1 164 . 1 1 22 22 THR H H 1 7.938 0.020 . 1 . . . . 14 THR H . 15046 1 165 . 1 1 22 22 THR HA H 1 4.069 0.020 . 1 . . . . 14 THR HA . 15046 1 166 . 1 1 22 22 THR HB H 1 3.702 0.020 . 1 . . . . 14 THR HB . 15046 1 167 . 1 1 22 22 THR HG21 H 1 1.075 0.020 . 1 . . . . 14 THR HG2 . 15046 1 168 . 1 1 22 22 THR HG22 H 1 1.075 0.020 . 1 . . . . 14 THR HG2 . 15046 1 169 . 1 1 22 22 THR HG23 H 1 1.075 0.020 . 1 . . . . 14 THR HG2 . 15046 1 170 . 1 1 22 22 THR C C 13 173.200 0.400 . 1 . . . . 14 THR C . 15046 1 171 . 1 1 22 22 THR CA C 13 65.210 0.400 . 1 . . . . 14 THR CA . 15046 1 172 . 1 1 22 22 THR CB C 13 66.110 0.400 . 1 . . . . 14 THR CB . 15046 1 173 . 1 1 22 22 THR CG2 C 13 18.260 0.400 . 1 . . . . 14 THR CG2 . 15046 1 174 . 1 1 22 22 THR N N 15 118.600 0.400 . 1 . . . . 14 THR N . 15046 1 175 . 1 1 23 23 GLY H H 1 8.301 0.020 . 1 . . . . 15 GLY H . 15046 1 176 . 1 1 23 23 GLY HA2 H 1 3.708 0.020 . 1 . . . . 15 GLY HA2 . 15046 1 177 . 1 1 23 23 GLY HA3 H 1 3.708 0.020 . 1 . . . . 15 GLY HA3 . 15046 1 178 . 1 1 23 23 GLY C C 13 175.500 0.400 . 1 . . . . 15 GLY C . 15046 1 179 . 1 1 23 23 GLY CA C 13 41.890 0.400 . 1 . . . . 15 GLY CA . 15046 1 180 . 1 1 23 23 GLY N N 15 107.300 0.400 . 1 . . . . 15 GLY N . 15046 1 181 . 1 1 24 24 PHE H H 1 7.114 0.020 . 1 . . . . 16 PHE H . 15046 1 182 . 1 1 24 24 PHE HA H 1 3.974 0.020 . 1 . . . . 16 PHE HA . 15046 1 183 . 1 1 24 24 PHE HB2 H 1 2.632 0.020 . 2 . . . . 16 PHE HB2 . 15046 1 184 . 1 1 24 24 PHE HB3 H 1 2.831 0.020 . 2 . . . . 16 PHE HB3 . 15046 1 185 . 1 1 24 24 PHE HD1 H 1 6.488 0.020 . 1 . . . . 16 PHE HD1 . 15046 1 186 . 1 1 24 24 PHE HD2 H 1 6.488 0.020 . 1 . . . . 16 PHE HD2 . 15046 1 187 . 1 1 24 24 PHE HE1 H 1 6.880 0.020 . 1 . . . . 16 PHE HE1 . 15046 1 188 . 1 1 24 24 PHE HE2 H 1 6.880 0.020 . 1 . . . . 16 PHE HE2 . 15046 1 189 . 1 1 24 24 PHE C C 13 174.600 0.400 . 1 . . . . 16 PHE C . 15046 1 190 . 1 1 24 24 PHE CA C 13 58.320 0.400 . 1 . . . . 16 PHE CA . 15046 1 191 . 1 1 24 24 PHE CB C 13 35.840 0.400 . 1 . . . . 16 PHE CB . 15046 1 192 . 1 1 25 25 ARG H H 1 7.828 0.020 . 1 . . . . 17 ARG H . 15046 1 193 . 1 1 25 25 ARG HA H 1 4.157 0.020 . 1 . . . . 17 ARG HA . 15046 1 194 . 1 1 25 25 ARG HB2 H 1 1.832 0.020 . 2 . . . . 17 ARG HB2 . 15046 1 195 . 1 1 25 25 ARG HB3 H 1 1.847 0.020 . 2 . . . . 17 ARG HB3 . 15046 1 196 . 1 1 25 25 ARG HG2 H 1 1.627 0.020 . 2 . . . . 17 ARG HG2 . 15046 1 197 . 1 1 25 25 ARG HG3 H 1 1.486 0.020 . 2 . . . . 17 ARG HG3 . 15046 1 198 . 1 1 25 25 ARG HD2 H 1 3.127 0.020 . 1 . . . . 17 ARG HD2 . 15046 1 199 . 1 1 25 25 ARG HD3 H 1 3.127 0.020 . 1 . . . . 17 ARG HD3 . 15046 1 200 . 1 1 25 25 ARG HE H 1 8.081 0.020 . 1 . . . . 17 ARG HE . 15046 1 201 . 1 1 25 25 ARG HH21 H 1 7.242 0.020 . 1 . . . . 17 ARG HH21 . 15046 1 202 . 1 1 25 25 ARG HH22 H 1 7.242 0.020 . 1 . . . . 17 ARG HH22 . 15046 1 203 . 1 1 25 25 ARG C C 13 177.800 0.400 . 1 . . . . 17 ARG C . 15046 1 204 . 1 1 25 25 ARG CA C 13 56.650 0.400 . 1 . . . . 17 ARG CA . 15046 1 205 . 1 1 25 25 ARG CB C 13 27.170 0.400 . 1 . . . . 17 ARG CB . 15046 1 206 . 1 1 25 25 ARG CG C 13 25.62 0.400 . 1 . . . . 17 ARG CG . 15046 1 207 . 1 1 25 25 ARG N N 15 120.200 0.400 . 1 . . . . 17 ARG N . 15046 1 208 . 1 1 25 25 ARG NH2 N 15 83.28 0.400 . 1 . . . . 17 ARG NH2 . 15046 1 209 . 1 1 26 26 LEU H H 1 7.999 0.020 . 1 . . . . 18 LEU H . 15046 1 210 . 1 1 26 26 LEU HA H 1 3.987 0.020 . 1 . . . . 18 LEU HA . 15046 1 211 . 1 1 26 26 LEU HB2 H 1 1.455 0.020 . 2 . . . . 18 LEU HB2 . 15046 1 212 . 1 1 26 26 LEU HB3 H 1 1.620 0.020 . 2 . . . . 18 LEU HB3 . 15046 1 213 . 1 1 26 26 LEU HG H 1 1.474 0.020 . 1 . . . . 18 LEU HG . 15046 1 214 . 1 1 26 26 LEU HD11 H 1 0.718 0.020 . 2 . . . . 18 LEU HD1 . 15046 1 215 . 1 1 26 26 LEU HD12 H 1 0.718 0.020 . 2 . . . . 18 LEU HD1 . 15046 1 216 . 1 1 26 26 LEU HD13 H 1 0.718 0.020 . 2 . . . . 18 LEU HD1 . 15046 1 217 . 1 1 26 26 LEU HD21 H 1 0.718 0.020 . 2 . . . . 18 LEU HD2 . 15046 1 218 . 1 1 26 26 LEU HD22 H 1 0.718 0.020 . 2 . . . . 18 LEU HD2 . 15046 1 219 . 1 1 26 26 LEU HD23 H 1 0.718 0.020 . 2 . . . . 18 LEU HD2 . 15046 1 220 . 1 1 26 26 LEU C C 13 175.000 0.400 . 1 . . . . 18 LEU C . 15046 1 221 . 1 1 26 26 LEU CA C 13 54.230 0.400 . 1 . . . . 18 LEU CA . 15046 1 222 . 1 1 26 26 LEU CB C 13 38.770 0.400 . 1 . . . . 18 LEU CB . 15046 1 223 . 1 1 26 26 LEU CG C 13 24.030 0.400 . 1 . . . . 18 LEU CG . 15046 1 224 . 1 1 26 26 LEU CD1 C 13 22.410 0.400 . 1 . . . . 18 LEU CD1 . 15046 1 225 . 1 1 26 26 LEU CD2 C 13 22.250 0.400 . 1 . . . . 18 LEU CD2 . 15046 1 226 . 1 1 26 26 LEU N N 15 119.700 0.400 . 1 . . . . 18 LEU N . 15046 1 227 . 1 1 27 27 ALA H H 1 7.140 0.020 . 1 . . . . 19 ALA H . 15046 1 228 . 1 1 27 27 ALA HA H 1 4.175 0.020 . 1 . . . . 19 ALA HA . 15046 1 229 . 1 1 27 27 ALA HB1 H 1 1.228 0.020 . 1 . . . . 19 ALA HB . 15046 1 230 . 1 1 27 27 ALA HB2 H 1 1.228 0.020 . 1 . . . . 19 ALA HB . 15046 1 231 . 1 1 27 27 ALA HB3 H 1 1.228 0.020 . 1 . . . . 19 ALA HB . 15046 1 232 . 1 1 27 27 ALA C C 13 174.400 0.400 . 1 . . . . 19 ALA C . 15046 1 233 . 1 1 27 27 ALA CA C 13 49.530 0.400 . 1 . . . . 19 ALA CA . 15046 1 234 . 1 1 27 27 ALA CB C 13 15.960 0.400 . 1 . . . . 19 ALA CB . 15046 1 235 . 1 1 27 27 ALA N N 15 119.400 0.400 . 1 . . . . 19 ALA N . 15046 1 236 . 1 1 28 28 GLY H H 1 7.629 0.020 . 1 . . . . 20 GLY H . 15046 1 237 . 1 1 28 28 GLY HA2 H 1 3.592 0.020 . 2 . . . . 20 GLY HA2 . 15046 1 238 . 1 1 28 28 GLY HA3 H 1 4.167 0.020 . 2 . . . . 20 GLY HA3 . 15046 1 239 . 1 1 28 28 GLY C C 13 171.700 0.400 . 1 . . . . 20 GLY C . 15046 1 240 . 1 1 28 28 GLY CA C 13 42.700 0.400 . 1 . . . . 20 GLY CA . 15046 1 241 . 1 1 28 28 GLY N N 15 104.700 0.400 . 1 . . . . 20 GLY N . 15046 1 242 . 1 1 29 29 ILE H H 1 7.449 0.020 . 1 . . . . 21 ILE H . 15046 1 243 . 1 1 29 29 ILE HA H 1 3.974 0.020 . 1 . . . . 21 ILE HA . 15046 1 244 . 1 1 29 29 ILE HB H 1 1.558 0.020 . 1 . . . . 21 ILE HB . 15046 1 245 . 1 1 29 29 ILE HG12 H 1 1.363 0.020 . 2 . . . . 21 ILE HG12 . 15046 1 246 . 1 1 29 29 ILE HG13 H 1 1.557 0.020 . 2 . . . . 21 ILE HG13 . 15046 1 247 . 1 1 29 29 ILE HG21 H 1 1.259 0.020 . 1 . . . . 21 ILE HG2 . 15046 1 248 . 1 1 29 29 ILE HG22 H 1 1.259 0.020 . 1 . . . . 21 ILE HG2 . 15046 1 249 . 1 1 29 29 ILE HG23 H 1 1.259 0.020 . 1 . . . . 21 ILE HG2 . 15046 1 250 . 1 1 29 29 ILE HD11 H 1 0.631 0.020 . 1 . . . . 21 ILE HD1 . 15046 1 251 . 1 1 29 29 ILE HD12 H 1 0.631 0.020 . 1 . . . . 21 ILE HD1 . 15046 1 252 . 1 1 29 29 ILE HD13 H 1 0.631 0.020 . 1 . . . . 21 ILE HD1 . 15046 1 253 . 1 1 29 29 ILE C C 13 172.800 0.400 . 1 . . . . 21 ILE C . 15046 1 254 . 1 1 29 29 ILE CA C 13 57.760 0.400 . 1 . . . . 21 ILE CA . 15046 1 255 . 1 1 29 29 ILE CB C 13 33.700 0.400 . 1 . . . . 21 ILE CB . 15046 1 256 . 1 1 29 29 ILE CG1 C 13 30.690 0.400 . 1 . . . . 21 ILE CG1 . 15046 1 257 . 1 1 29 29 ILE CG2 C 13 15.330 0.400 . 1 . . . . 21 ILE CG2 . 15046 1 258 . 1 1 29 29 ILE CD1 C 13 9.573 0.400 . 1 . . . . 21 ILE CD1 . 15046 1 259 . 1 1 29 29 ILE N N 15 121.200 0.400 . 1 . . . . 21 ILE N . 15046 1 260 . 1 1 30 30 SER H H 1 8.182 0.020 . 1 . . . . 22 SER H . 15046 1 261 . 1 1 30 30 SER HA H 1 4.352 0.020 . 1 . . . . 22 SER HA . 15046 1 262 . 1 1 30 30 SER HB2 H 1 3.780 0.020 . 2 . . . . 22 SER HB2 . 15046 1 263 . 1 1 30 30 SER HB3 H 1 3.726 0.020 . 2 . . . . 22 SER HB3 . 15046 1 264 . 1 1 30 30 SER C C 13 173.400 0.400 . 1 . . . . 22 SER C . 15046 1 265 . 1 1 30 30 SER CA C 13 57.410 0.400 . 1 . . . . 22 SER CA . 15046 1 266 . 1 1 30 30 SER CB C 13 61.400 0.400 . 1 . . . . 22 SER CB . 15046 1 267 . 1 1 30 30 SER N N 15 121.500 0.400 . 1 . . . . 22 SER N . 15046 1 268 . 1 1 31 31 LYS H H 1 8.266 0.020 . 1 . . . . 23 LYS H . 15046 1 269 . 1 1 31 31 LYS HA H 1 4.127 0.020 . 1 . . . . 23 LYS HA . 15046 1 270 . 1 1 31 31 LYS HB2 H 1 1.758 0.020 . 2 . . . . 23 LYS HB2 . 15046 1 271 . 1 1 31 31 LYS HB3 H 1 2.050 0.020 . 2 . . . . 23 LYS HB3 . 15046 1 272 . 1 1 31 31 LYS HG2 H 1 1.110 0.020 . 1 . . . . 23 LYS HG2 . 15046 1 273 . 1 1 31 31 LYS HG3 H 1 1.110 0.020 . 1 . . . . 23 LYS HG3 . 15046 1 274 . 1 1 31 31 LYS HD2 H 1 1.286 0.020 . 1 . . . . 23 LYS HD2 . 15046 1 275 . 1 1 31 31 LYS HD3 H 1 1.286 0.020 . 1 . . . . 23 LYS HD3 . 15046 1 276 . 1 1 31 31 LYS HE2 H 1 2.840 0.020 . 2 . . . . 23 LYS HE2 . 15046 1 277 . 1 1 31 31 LYS HE3 H 1 3.107 0.020 . 2 . . . . 23 LYS HE3 . 15046 1 278 . 1 1 31 31 LYS HZ1 H 1 7.601 0.020 . 1 . . . . 23 LYS HZ1 . 15046 1 279 . 1 1 31 31 LYS HZ2 H 1 7.601 0.020 . 1 . . . . 23 LYS HZ2 . 15046 1 280 . 1 1 31 31 LYS HZ3 H 1 7.601 0.020 . 1 . . . . 23 LYS HZ3 . 15046 1 281 . 1 1 31 31 LYS C C 13 170.200 0.400 . 1 . . . . 23 LYS C . 15046 1 282 . 1 1 31 31 LYS CA C 13 53.470 0.400 . 1 . . . . 23 LYS CA . 15046 1 283 . 1 1 31 31 LYS CB C 13 27.810 0.400 . 1 . . . . 23 LYS CB . 15046 1 284 . 1 1 31 31 LYS CG C 13 22.18 0.400 . 1 . . . . 23 LYS CG . 15046 1 285 . 1 1 31 31 LYS CD C 13 28.33 0.400 . 1 . . . . 23 LYS CD . 15046 1 286 . 1 1 31 31 LYS CE C 13 39.380 0.400 . 1 . . . . 23 LYS CE . 15046 1 287 . 1 1 31 31 LYS N N 15 125.900 0.400 . 1 . . . . 23 LYS N . 15046 1 288 . 1 1 32 32 VAL H H 1 6.997 0.020 . 1 . . . . 24 VAL H . 15046 1 289 . 1 1 32 32 VAL HA H 1 4.379 0.020 . 1 . . . . 24 VAL HA . 15046 1 290 . 1 1 32 32 VAL HB H 1 1.629 0.020 . 1 . . . . 24 VAL HB . 15046 1 291 . 1 1 32 32 VAL HG11 H 1 0.504 0.020 . 2 . . . . 24 VAL HG1 . 15046 1 292 . 1 1 32 32 VAL HG12 H 1 0.504 0.020 . 2 . . . . 24 VAL HG1 . 15046 1 293 . 1 1 32 32 VAL HG13 H 1 0.504 0.020 . 2 . . . . 24 VAL HG1 . 15046 1 294 . 1 1 32 32 VAL HG21 H 1 0.550 0.020 . 2 . . . . 24 VAL HG2 . 15046 1 295 . 1 1 32 32 VAL HG22 H 1 0.550 0.020 . 2 . . . . 24 VAL HG2 . 15046 1 296 . 1 1 32 32 VAL HG23 H 1 0.550 0.020 . 2 . . . . 24 VAL HG2 . 15046 1 297 . 1 1 32 32 VAL C C 13 172.200 0.400 . 1 . . . . 24 VAL C . 15046 1 298 . 1 1 32 32 VAL CA C 13 57.340 0.400 . 1 . . . . 24 VAL CA . 15046 1 299 . 1 1 32 32 VAL CB C 13 31.070 0.400 . 1 . . . . 24 VAL CB . 15046 1 300 . 1 1 32 32 VAL CG1 C 13 18.910 0.400 . 1 . . . . 24 VAL CG1 . 15046 1 301 . 1 1 32 32 VAL CG2 C 13 18.690 0.400 . 1 . . . . 24 VAL CG2 . 15046 1 302 . 1 1 32 32 VAL N N 15 120.500 0.400 . 1 . . . . 24 VAL N . 15046 1 303 . 1 1 33 33 TYR H H 1 8.934 0.020 . 1 . . . . 25 TYR H . 15046 1 304 . 1 1 33 33 TYR HA H 1 4.582 0.020 . 1 . . . . 25 TYR HA . 15046 1 305 . 1 1 33 33 TYR HB2 H 1 2.930 0.020 . 2 . . . . 25 TYR HB2 . 15046 1 306 . 1 1 33 33 TYR HB3 H 1 2.740 0.020 . 2 . . . . 25 TYR HB3 . 15046 1 307 . 1 1 33 33 TYR HD1 H 1 6.530 0.020 . 1 . . . . 25 TYR HD1 . 15046 1 308 . 1 1 33 33 TYR HD2 H 1 6.530 0.020 . 1 . . . . 25 TYR HD2 . 15046 1 309 . 1 1 33 33 TYR HE1 H 1 6.930 0.020 . 1 . . . . 25 TYR HE1 . 15046 1 310 . 1 1 33 33 TYR HE2 H 1 6.930 0.020 . 1 . . . . 25 TYR HE2 . 15046 1 311 . 1 1 33 33 TYR C C 13 170.400 0.400 . 1 . . . . 25 TYR C . 15046 1 312 . 1 1 33 33 TYR CA C 13 53.730 0.400 . 1 . . . . 25 TYR CA . 15046 1 313 . 1 1 33 33 TYR CB C 13 35.880 0.400 . 1 . . . . 25 TYR CB . 15046 1 314 . 1 1 33 33 TYR N N 15 128.400 0.400 . 1 . . . . 25 TYR N . 15046 1 315 . 1 1 34 34 GLU H H 1 8.485 0.020 . 1 . . . . 26 GLU H . 15046 1 316 . 1 1 34 34 GLU HA H 1 5.111 0.020 . 1 . . . . 26 GLU HA . 15046 1 317 . 1 1 34 34 GLU HB2 H 1 1.700 0.020 . 1 . . . . 26 GLU HB2 . 15046 1 318 . 1 1 34 34 GLU HB3 H 1 1.700 0.020 . 1 . . . . 26 GLU HB3 . 15046 1 319 . 1 1 34 34 GLU HG2 H 1 1.942 0.020 . 2 . . . . 26 GLU HG2 . 15046 1 320 . 1 1 34 34 GLU HG3 H 1 1.981 0.020 . 2 . . . . 26 GLU HG3 . 15046 1 321 . 1 1 34 34 GLU C C 13 174.500 0.400 . 1 . . . . 26 GLU C . 15046 1 322 . 1 1 34 34 GLU CA C 13 52.270 0.400 . 1 . . . . 26 GLU CA . 15046 1 323 . 1 1 34 34 GLU CB C 13 27.810 0.400 . 1 . . . . 26 GLU CB . 15046 1 324 . 1 1 34 34 GLU CG C 13 33.730 0.400 . 1 . . . . 26 GLU CG . 15046 1 325 . 1 1 34 34 GLU N N 15 125.500 0.400 . 1 . . . . 26 GLU N . 15046 1 326 . 1 1 35 35 THR H H 1 8.791 0.020 . 1 . . . . 27 THR H . 15046 1 327 . 1 1 35 35 THR HA H 1 4.603 0.020 . 1 . . . . 27 THR HA . 15046 1 328 . 1 1 35 35 THR HB H 1 3.955 0.020 . 1 . . . . 27 THR HB . 15046 1 329 . 1 1 35 35 THR HG21 H 1 0.798 0.020 . 1 . . . . 27 THR HG2 . 15046 1 330 . 1 1 35 35 THR HG22 H 1 0.798 0.020 . 1 . . . . 27 THR HG2 . 15046 1 331 . 1 1 35 35 THR HG23 H 1 0.798 0.020 . 1 . . . . 27 THR HG2 . 15046 1 332 . 1 1 35 35 THR C C 13 171.900 0.400 . 1 . . . . 27 THR C . 15046 1 333 . 1 1 35 35 THR CA C 13 62.750 0.400 . 1 . . . . 27 THR CA . 15046 1 334 . 1 1 35 35 THR CB C 13 67.010 0.400 . 1 . . . . 27 THR CB . 15046 1 335 . 1 1 35 35 THR CG2 C 13 24.570 0.400 . 1 . . . . 27 THR CG2 . 15046 1 336 . 1 1 35 35 THR N N 15 119.100 0.400 . 1 . . . . 27 THR N . 15046 1 337 . 1 1 36 36 PRO HA H 1 4.408 0.020 . 1 . . . . 28 PRO HA . 15046 1 338 . 1 1 36 36 PRO HB2 H 1 1.975 0.020 . 2 . . . . 28 PRO HB2 . 15046 1 339 . 1 1 36 36 PRO HB3 H 1 2.306 0.020 . 2 . . . . 28 PRO HB3 . 15046 1 340 . 1 1 36 36 PRO HG2 H 1 1.871 0.020 . 1 . . . . 28 PRO HG2 . 15046 1 341 . 1 1 36 36 PRO HG3 H 1 1.871 0.020 . 1 . . . . 28 PRO HG3 . 15046 1 342 . 1 1 36 36 PRO HD2 H 1 3.537 0.020 . 2 . . . . 28 PRO HD2 . 15046 1 343 . 1 1 36 36 PRO HD3 H 1 3.614 0.020 . 2 . . . . 28 PRO HD3 . 15046 1 344 . 1 1 36 36 PRO C C 13 172.400 0.400 . 1 . . . . 28 PRO C . 15046 1 345 . 1 1 36 36 PRO CA C 13 61.070 0.400 . 1 . . . . 28 PRO CA . 15046 1 346 . 1 1 36 36 PRO CB C 13 29.830 0.400 . 1 . . . . 28 PRO CB . 15046 1 347 . 1 1 36 36 PRO CG C 13 23.910 0.400 . 1 . . . . 28 PRO CG . 15046 1 348 . 1 1 36 36 PRO CD C 13 48.670 0.400 . 1 . . . . 28 PRO CD . 15046 1 349 . 1 1 37 37 ASP H H 1 7.086 0.020 . 1 . . . . 29 ASP H . 15046 1 350 . 1 1 37 37 ASP HA H 1 4.679 0.020 . 1 . . . . 29 ASP HA . 15046 1 351 . 1 1 37 37 ASP HB2 H 1 2.715 0.020 . 2 . . . . 29 ASP HB2 . 15046 1 352 . 1 1 37 37 ASP HB3 H 1 2.979 0.020 . 2 . . . . 29 ASP HB3 . 15046 1 353 . 1 1 37 37 ASP C C 13 173.400 0.400 . 1 . . . . 29 ASP C . 15046 1 354 . 1 1 37 37 ASP CA C 13 49.210 0.400 . 1 . . . . 29 ASP CA . 15046 1 355 . 1 1 37 37 ASP CB C 13 39.950 0.400 . 1 . . . . 29 ASP CB . 15046 1 356 . 1 1 37 37 ASP N N 15 114.800 0.400 . 1 . . . . 29 ASP N . 15046 1 357 . 1 1 38 38 ILE H H 1 8.643 0.020 . 1 . . . . 30 ILE H . 15046 1 358 . 1 1 38 38 ILE HA H 1 3.799 0.020 . 1 . . . . 30 ILE HA . 15046 1 359 . 1 1 38 38 ILE HB H 1 2.017 0.020 . 1 . . . . 30 ILE HB . 15046 1 360 . 1 1 38 38 ILE HG12 H 1 0.854 0.020 . 2 . . . . 30 ILE HG12 . 15046 1 361 . 1 1 38 38 ILE HG13 H 1 1.102 0.020 . 2 . . . . 30 ILE HG13 . 15046 1 362 . 1 1 38 38 ILE HG21 H 1 1.600 0.020 . 1 . . . . 30 ILE HG2 . 15046 1 363 . 1 1 38 38 ILE HG22 H 1 1.600 0.020 . 1 . . . . 30 ILE HG2 . 15046 1 364 . 1 1 38 38 ILE HG23 H 1 1.600 0.020 . 1 . . . . 30 ILE HG2 . 15046 1 365 . 1 1 38 38 ILE HD11 H 1 0.790 0.020 . 1 . . . . 30 ILE HD1 . 15046 1 366 . 1 1 38 38 ILE HD12 H 1 0.790 0.020 . 1 . . . . 30 ILE HD1 . 15046 1 367 . 1 1 38 38 ILE HD13 H 1 0.790 0.020 . 1 . . . . 30 ILE HD1 . 15046 1 368 . 1 1 38 38 ILE C C 13 172.800 0.400 . 1 . . . . 30 ILE C . 15046 1 369 . 1 1 38 38 ILE CA C 13 63.710 0.400 . 1 . . . . 30 ILE CA . 15046 1 370 . 1 1 38 38 ILE CB C 13 32.630 0.400 . 1 . . . . 30 ILE CB . 15046 1 371 . 1 1 38 38 ILE CG1 C 13 26.620 0.400 . 1 . . . . 30 ILE CG1 . 15046 1 372 . 1 1 38 38 ILE CG2 C 13 14.800 0.400 . 1 . . . . 30 ILE CG2 . 15046 1 373 . 1 1 38 38 ILE CD1 C 13 9.635 0.400 . 1 . . . . 30 ILE CD1 . 15046 1 374 . 1 1 38 38 ILE N N 15 120.600 0.400 . 1 . . . . 30 ILE N . 15046 1 375 . 1 1 39 39 PRO HA H 1 4.324 0.020 . 1 . . . . 31 PRO HA . 15046 1 376 . 1 1 39 39 PRO HB2 H 1 2.040 0.020 . 2 . . . . 31 PRO HB2 . 15046 1 377 . 1 1 39 39 PRO HB3 H 1 2.219 0.020 . 2 . . . . 31 PRO HB3 . 15046 1 378 . 1 1 39 39 PRO HG2 H 1 1.760 0.020 . 2 . . . . 31 PRO HG2 . 15046 1 379 . 1 1 39 39 PRO HG3 H 1 1.821 0.020 . 2 . . . . 31 PRO HG3 . 15046 1 380 . 1 1 39 39 PRO HD2 H 1 3.652 0.020 . 2 . . . . 31 PRO HD2 . 15046 1 381 . 1 1 39 39 PRO HD3 H 1 3.670 0.020 . 2 . . . . 31 PRO HD3 . 15046 1 382 . 1 1 39 39 PRO C C 13 177.100 0.400 . 1 . . . . 31 PRO C . 15046 1 383 . 1 1 39 39 PRO CA C 13 63.690 0.400 . 1 . . . . 31 PRO CA . 15046 1 384 . 1 1 39 39 PRO CB C 13 27.770 0.400 . 1 . . . . 31 PRO CB . 15046 1 385 . 1 1 39 39 PRO CG C 13 25.170 0.400 . 1 . . . . 31 PRO CG . 15046 1 386 . 1 1 39 39 PRO CD C 13 52.870 0.400 . 1 . . . . 31 PRO CD . 15046 1 387 . 1 1 40 40 ALA H H 1 8.182 0.020 . 1 . . . . 32 ALA H . 15046 1 388 . 1 1 40 40 ALA HA H 1 4.160 0.020 . 1 . . . . 32 ALA HA . 15046 1 389 . 1 1 40 40 ALA HB1 H 1 1.485 0.020 . 1 . . . . 32 ALA HB . 15046 1 390 . 1 1 40 40 ALA HB2 H 1 1.485 0.020 . 1 . . . . 32 ALA HB . 15046 1 391 . 1 1 40 40 ALA HB3 H 1 1.485 0.020 . 1 . . . . 32 ALA HB . 15046 1 392 . 1 1 40 40 ALA C C 13 178.000 0.400 . 1 . . . . 32 ALA C . 15046 1 393 . 1 1 40 40 ALA CA C 13 52.170 0.400 . 1 . . . . 32 ALA CA . 15046 1 394 . 1 1 40 40 ALA CB C 13 15.820 0.400 . 1 . . . . 32 ALA CB . 15046 1 395 . 1 1 40 40 ALA N N 15 118.900 0.400 . 1 . . . . 32 ALA N . 15046 1 396 . 1 1 41 41 THR H H 1 8.169 0.020 . 1 . . . . 33 THR H . 15046 1 397 . 1 1 41 41 THR HA H 1 4.342 0.020 . 1 . . . . 33 THR HA . 15046 1 398 . 1 1 41 41 THR HB H 1 3.747 0.020 . 1 . . . . 33 THR HB . 15046 1 399 . 1 1 41 41 THR HG21 H 1 0.996 0.020 . 1 . . . . 33 THR HG2 . 15046 1 400 . 1 1 41 41 THR HG22 H 1 0.996 0.020 . 1 . . . . 33 THR HG2 . 15046 1 401 . 1 1 41 41 THR HG23 H 1 0.996 0.020 . 1 . . . . 33 THR HG2 . 15046 1 402 . 1 1 41 41 THR C C 13 172.500 0.400 . 1 . . . . 33 THR C . 15046 1 403 . 1 1 41 41 THR CA C 13 64.710 0.400 . 1 . . . . 33 THR CA . 15046 1 404 . 1 1 41 41 THR CB C 13 65.240 0.400 . 1 . . . . 33 THR CB . 15046 1 405 . 1 1 41 41 THR CG2 C 13 18.770 0.400 . 1 . . . . 33 THR CG2 . 15046 1 406 . 1 1 41 41 THR N N 15 118.400 0.400 . 1 . . . . 33 THR N . 15046 1 407 . 1 1 42 42 GLU H H 1 8.467 0.020 . 1 . . . . 34 GLU H . 15046 1 408 . 1 1 42 42 GLU HA H 1 3.462 0.020 . 1 . . . . 34 GLU HA . 15046 1 409 . 1 1 42 42 GLU HB2 H 1 2.130 0.020 . 1 . . . . 34 GLU HB2 . 15046 1 410 . 1 1 42 42 GLU HB3 H 1 2.130 0.020 . 1 . . . . 34 GLU HB3 . 15046 1 411 . 1 1 42 42 GLU HG2 H 1 1.966 0.020 . 1 . . . . 34 GLU HG2 . 15046 1 412 . 1 1 42 42 GLU HG3 H 1 1.966 0.020 . 1 . . . . 34 GLU HG3 . 15046 1 413 . 1 1 42 42 GLU C C 13 175.200 0.400 . 1 . . . . 34 GLU C . 15046 1 414 . 1 1 42 42 GLU CA C 13 57.750 0.400 . 1 . . . . 34 GLU CA . 15046 1 415 . 1 1 42 42 GLU CB C 13 26.780 0.400 . 1 . . . . 34 GLU CB . 15046 1 416 . 1 1 42 42 GLU CG C 13 33.970 0.400 . 1 . . . . 34 GLU CG . 15046 1 417 . 1 1 42 42 GLU N N 15 121.400 0.400 . 1 . . . . 34 GLU N . 15046 1 418 . 1 1 43 43 SER H H 1 7.806 0.020 . 1 . . . . 35 SER H . 15046 1 419 . 1 1 43 43 SER HA H 1 3.991 0.020 . 1 . . . . 35 SER HA . 15046 1 420 . 1 1 43 43 SER HB2 H 1 3.831 0.020 . 1 . . . . 35 SER HB2 . 15046 1 421 . 1 1 43 43 SER HB3 H 1 3.831 0.020 . 1 . . . . 35 SER HB3 . 15046 1 422 . 1 1 43 43 SER C C 13 174.200 0.400 . 1 . . . . 35 SER C . 15046 1 423 . 1 1 43 43 SER CA C 13 57.050 0.400 . 1 . . . . 35 SER CA . 15046 1 424 . 1 1 43 43 SER CB C 13 60.580 0.400 . 1 . . . . 35 SER CB . 15046 1 425 . 1 1 43 43 SER N N 15 112.100 0.400 . 1 . . . . 35 SER N . 15046 1 426 . 1 1 44 44 ALA H H 1 7.814 0.020 . 1 . . . . 36 ALA H . 15046 1 427 . 1 1 44 44 ALA HA H 1 3.807 0.020 . 1 . . . . 36 ALA HA . 15046 1 428 . 1 1 44 44 ALA HB1 H 1 1.182 0.020 . 1 . . . . 36 ALA HB . 15046 1 429 . 1 1 44 44 ALA HB2 H 1 1.182 0.020 . 1 . . . . 36 ALA HB . 15046 1 430 . 1 1 44 44 ALA HB3 H 1 1.182 0.020 . 1 . . . . 36 ALA HB . 15046 1 431 . 1 1 44 44 ALA C C 13 176.000 0.400 . 1 . . . . 36 ALA C . 15046 1 432 . 1 1 44 44 ALA CA C 13 52.390 0.400 . 1 . . . . 36 ALA CA . 15046 1 433 . 1 1 44 44 ALA CB C 13 16.460 0.400 . 1 . . . . 36 ALA CB . 15046 1 434 . 1 1 44 44 ALA N N 15 123.700 0.400 . 1 . . . . 36 ALA N . 15046 1 435 . 1 1 45 45 VAL H H 1 8.314 0.020 . 1 . . . . 37 VAL H . 15046 1 436 . 1 1 45 45 VAL HA H 1 3.078 0.020 . 1 . . . . 37 VAL HA . 15046 1 437 . 1 1 45 45 VAL HB H 1 2.065 0.020 . 1 . . . . 37 VAL HB . 15046 1 438 . 1 1 45 45 VAL HG11 H 1 0.693 0.020 . 2 . . . . 37 VAL HG1 . 15046 1 439 . 1 1 45 45 VAL HG12 H 1 0.693 0.020 . 2 . . . . 37 VAL HG1 . 15046 1 440 . 1 1 45 45 VAL HG13 H 1 0.693 0.020 . 2 . . . . 37 VAL HG1 . 15046 1 441 . 1 1 45 45 VAL HG21 H 1 0.979 0.020 . 2 . . . . 37 VAL HG2 . 15046 1 442 . 1 1 45 45 VAL HG22 H 1 0.979 0.020 . 2 . . . . 37 VAL HG2 . 15046 1 443 . 1 1 45 45 VAL HG23 H 1 0.979 0.020 . 2 . . . . 37 VAL HG2 . 15046 1 444 . 1 1 45 45 VAL C C 13 174.400 0.400 . 1 . . . . 37 VAL C . 15046 1 445 . 1 1 45 45 VAL CA C 13 64.170 0.400 . 1 . . . . 37 VAL CA . 15046 1 446 . 1 1 45 45 VAL CB C 13 28.950 0.400 . 1 . . . . 37 VAL CB . 15046 1 447 . 1 1 45 45 VAL CG1 C 13 21.780 0.400 . 1 . . . . 37 VAL CG1 . 15046 1 448 . 1 1 45 45 VAL CG2 C 13 20.040 0.400 . 1 . . . . 37 VAL CG2 . 15046 1 449 . 1 1 45 45 VAL N N 15 118.400 0.400 . 1 . . . . 37 VAL N . 15046 1 450 . 1 1 46 46 ARG H H 1 7.843 0.020 . 1 . . . . 38 ARG H . 15046 1 451 . 1 1 46 46 ARG HA H 1 3.683 0.020 . 1 . . . . 38 ARG HA . 15046 1 452 . 1 1 46 46 ARG HB2 H 1 1.764 0.020 . 2 . . . . 38 ARG HB2 . 15046 1 453 . 1 1 46 46 ARG HB3 H 1 1.755 0.020 . 2 . . . . 38 ARG HB3 . 15046 1 454 . 1 1 46 46 ARG HG2 H 1 1.456 0.020 . 2 . . . . 38 ARG HG2 . 15046 1 455 . 1 1 46 46 ARG HG3 H 1 1.450 0.020 . 2 . . . . 38 ARG HG3 . 15046 1 456 . 1 1 46 46 ARG HD2 H 1 3.084 0.020 . 2 . . . . 38 ARG HD2 . 15046 1 457 . 1 1 46 46 ARG HD3 H 1 3.092 0.020 . 2 . . . . 38 ARG HD3 . 15046 1 458 . 1 1 46 46 ARG HH11 H 1 7.609 0.020 . 1 . . . . 38 ARG HH11 . 15046 1 459 . 1 1 46 46 ARG HH12 H 1 7.609 0.020 . 1 . . . . 38 ARG HH12 . 15046 1 460 . 1 1 46 46 ARG C C 13 176.200 0.400 . 1 . . . . 38 ARG C . 15046 1 461 . 1 1 46 46 ARG CA C 13 57.790 0.400 . 1 . . . . 38 ARG CA . 15046 1 462 . 1 1 46 46 ARG CB C 13 26.640 0.400 . 1 . . . . 38 ARG CB . 15046 1 463 . 1 1 46 46 ARG CG C 13 25.990 0.400 . 1 . . . . 38 ARG CG . 15046 1 464 . 1 1 46 46 ARG CD C 13 40.390 0.400 . 1 . . . . 38 ARG CD . 15046 1 465 . 1 1 46 46 ARG N N 15 116.100 0.400 . 1 . . . . 38 ARG N . 15046 1 466 . 1 1 46 46 ARG NH2 N 15 85.28 0.400 . 1 . . . . 38 ARG NH2 . 15046 1 467 . 1 1 47 47 SER H H 1 7.607 0.020 . 1 . . . . 39 SER H . 15046 1 468 . 1 1 47 47 SER HA H 1 4.046 0.020 . 1 . . . . 39 SER HA . 15046 1 469 . 1 1 47 47 SER HB2 H 1 3.767 0.020 . 2 . . . . 39 SER HB2 . 15046 1 470 . 1 1 47 47 SER HB3 H 1 3.760 0.020 . 2 . . . . 39 SER HB3 . 15046 1 471 . 1 1 47 47 SER C C 13 174.500 0.400 . 1 . . . . 39 SER C . 15046 1 472 . 1 1 47 47 SER CA C 13 59.020 0.400 . 1 . . . . 39 SER CA . 15046 1 473 . 1 1 47 47 SER CB C 13 60.310 0.400 . 1 . . . . 39 SER CB . 15046 1 474 . 1 1 47 47 SER N N 15 112.900 0.400 . 1 . . . . 39 SER N . 15046 1 475 . 1 1 48 48 VAL H H 1 8.244 0.020 . 1 . . . . 40 VAL H . 15046 1 476 . 1 1 48 48 VAL HA H 1 3.660 0.020 . 1 . . . . 40 VAL HA . 15046 1 477 . 1 1 48 48 VAL HB H 1 1.808 0.020 . 1 . . . . 40 VAL HB . 15046 1 478 . 1 1 48 48 VAL HG11 H 1 0.806 0.020 . 2 . . . . 40 VAL HG1 . 15046 1 479 . 1 1 48 48 VAL HG12 H 1 0.806 0.020 . 2 . . . . 40 VAL HG1 . 15046 1 480 . 1 1 48 48 VAL HG13 H 1 0.806 0.020 . 2 . . . . 40 VAL HG1 . 15046 1 481 . 1 1 48 48 VAL HG21 H 1 0.718 0.020 . 2 . . . . 40 VAL HG2 . 15046 1 482 . 1 1 48 48 VAL HG22 H 1 0.718 0.020 . 2 . . . . 40 VAL HG2 . 15046 1 483 . 1 1 48 48 VAL HG23 H 1 0.718 0.020 . 2 . . . . 40 VAL HG2 . 15046 1 484 . 1 1 48 48 VAL C C 13 175.300 0.400 . 1 . . . . 40 VAL C . 15046 1 485 . 1 1 48 48 VAL CA C 13 63.510 0.400 . 1 . . . . 40 VAL CA . 15046 1 486 . 1 1 48 48 VAL CB C 13 28.150 0.400 . 1 . . . . 40 VAL CB . 15046 1 487 . 1 1 48 48 VAL CG1 C 13 21.720 0.400 . 1 . . . . 40 VAL CG1 . 15046 1 488 . 1 1 48 48 VAL CG2 C 13 20.840 0.400 . 1 . . . . 40 VAL CG2 . 15046 1 489 . 1 1 48 48 VAL N N 15 123.100 0.400 . 1 . . . . 40 VAL N . 15046 1 490 . 1 1 49 49 LEU H H 1 8.071 0.020 . 1 . . . . 41 LEU H . 15046 1 491 . 1 1 49 49 LEU HA H 1 3.785 0.020 . 1 . . . . 41 LEU HA . 15046 1 492 . 1 1 49 49 LEU HB2 H 1 1.732 0.020 . 2 . . . . 41 LEU HB2 . 15046 1 493 . 1 1 49 49 LEU HB3 H 1 1.695 0.020 . 2 . . . . 41 LEU HB3 . 15046 1 494 . 1 1 49 49 LEU HG H 1 1.378 0.020 . 1 . . . . 41 LEU HG . 15046 1 495 . 1 1 49 49 LEU HD11 H 1 0.614 0.020 . 2 . . . . 41 LEU HD1 . 15046 1 496 . 1 1 49 49 LEU HD12 H 1 0.614 0.020 . 2 . . . . 41 LEU HD1 . 15046 1 497 . 1 1 49 49 LEU HD13 H 1 0.614 0.020 . 2 . . . . 41 LEU HD1 . 15046 1 498 . 1 1 49 49 LEU HD21 H 1 0.614 0.020 . 2 . . . . 41 LEU HD2 . 15046 1 499 . 1 1 49 49 LEU HD22 H 1 0.614 0.020 . 2 . . . . 41 LEU HD2 . 15046 1 500 . 1 1 49 49 LEU HD23 H 1 0.614 0.020 . 2 . . . . 41 LEU HD2 . 15046 1 501 . 1 1 49 49 LEU C C 13 175.700 0.400 . 1 . . . . 41 LEU C . 15046 1 502 . 1 1 49 49 LEU CA C 13 54.630 0.400 . 1 . . . . 41 LEU CA . 15046 1 503 . 1 1 49 49 LEU CB C 13 38.300 0.400 . 1 . . . . 41 LEU CB . 15046 1 504 . 1 1 49 49 LEU CG C 13 24.110 0.400 . 1 . . . . 41 LEU CG . 15046 1 505 . 1 1 49 49 LEU CD1 C 13 22.560 0.400 . 1 . . . . 41 LEU CD1 . 15046 1 506 . 1 1 49 49 LEU CD2 C 13 19.100 0.400 . 1 . . . . 41 LEU CD2 . 15046 1 507 . 1 1 49 49 LEU N N 15 117.200 0.400 . 1 . . . . 41 LEU N . 15046 1 508 . 1 1 50 50 GLU H H 1 6.986 0.020 . 1 . . . . 42 GLU H . 15046 1 509 . 1 1 50 50 GLU HA H 1 4.213 0.020 . 1 . . . . 42 GLU HA . 15046 1 510 . 1 1 50 50 GLU HB2 H 1 1.843 0.020 . 2 . . . . 42 GLU HB2 . 15046 1 511 . 1 1 50 50 GLU HB3 H 1 1.840 0.020 . 2 . . . . 42 GLU HB3 . 15046 1 512 . 1 1 50 50 GLU HG2 H 1 2.318 0.020 . 2 . . . . 42 GLU HG2 . 15046 1 513 . 1 1 50 50 GLU HG3 H 1 2.159 0.020 . 2 . . . . 42 GLU HG3 . 15046 1 514 . 1 1 50 50 GLU C C 13 172.600 0.400 . 1 . . . . 42 GLU C . 15046 1 515 . 1 1 50 50 GLU CA C 13 53.240 0.400 . 1 . . . . 42 GLU CA . 15046 1 516 . 1 1 50 50 GLU CB C 13 27.590 0.400 . 1 . . . . 42 GLU CB . 15046 1 517 . 1 1 50 50 GLU CG C 13 33.420 0.400 . 1 . . . . 42 GLU CG . 15046 1 518 . 1 1 50 50 GLU N N 15 114.700 0.400 . 1 . . . . 42 GLU N . 15046 1 519 . 1 1 51 51 ASP H H 1 7.630 0.020 . 1 . . . . 43 ASP H . 15046 1 520 . 1 1 51 51 ASP HA H 1 4.474 0.020 . 1 . . . . 43 ASP HA . 15046 1 521 . 1 1 51 51 ASP HB2 H 1 3.283 0.020 . 2 . . . . 43 ASP HB2 . 15046 1 522 . 1 1 51 51 ASP HB3 H 1 2.413 0.020 . 2 . . . . 43 ASP HB3 . 15046 1 523 . 1 1 51 51 ASP C C 13 173.700 0.400 . 1 . . . . 43 ASP C . 15046 1 524 . 1 1 51 51 ASP CA C 13 50.350 0.400 . 1 . . . . 43 ASP CA . 15046 1 525 . 1 1 51 51 ASP CB C 13 37.870 0.400 . 1 . . . . 43 ASP CB . 15046 1 526 . 1 1 51 51 ASP N N 15 121.500 0.400 . 1 . . . . 43 ASP N . 15046 1 527 . 1 1 52 52 LYS H H 1 8.287 0.020 . 1 . . . . 44 LYS H . 15046 1 528 . 1 1 52 52 LYS HA H 1 4.083 0.020 . 1 . . . . 44 LYS HA . 15046 1 529 . 1 1 52 52 LYS HB2 H 1 1.676 0.020 . 2 . . . . 44 LYS HB2 . 15046 1 530 . 1 1 52 52 LYS HB3 H 1 1.855 0.020 . 2 . . . . 44 LYS HB3 . 15046 1 531 . 1 1 52 52 LYS HG2 H 1 1.430 0.020 . 2 . . . . 44 LYS HG2 . 15046 1 532 . 1 1 52 52 LYS HG3 H 1 1.468 0.020 . 2 . . . . 44 LYS HG3 . 15046 1 533 . 1 1 52 52 LYS HD2 H 1 1.529 0.020 . 1 . . . . 44 LYS HD2 . 15046 1 534 . 1 1 52 52 LYS HD3 H 1 1.529 0.020 . 1 . . . . 44 LYS HD3 . 15046 1 535 . 1 1 52 52 LYS HE2 H 1 2.929 0.020 . 1 . . . . 44 LYS HE2 . 15046 1 536 . 1 1 52 52 LYS HE3 H 1 2.929 0.020 . 1 . . . . 44 LYS HE3 . 15046 1 537 . 1 1 52 52 LYS C C 13 174.100 0.400 . 1 . . . . 44 LYS C . 15046 1 538 . 1 1 52 52 LYS CA C 13 54.030 0.400 . 1 . . . . 44 LYS CA . 15046 1 539 . 1 1 52 52 LYS CB C 13 28.380 0.400 . 1 . . . . 44 LYS CB . 15046 1 540 . 1 1 52 52 LYS CG C 13 21.750 0.400 . 1 . . . . 44 LYS CG . 15046 1 541 . 1 1 52 52 LYS CD C 13 25.190 0.400 . 1 . . . . 44 LYS CD . 15046 1 542 . 1 1 52 52 LYS CE C 13 39.380 0.400 . 1 . . . . 44 LYS CE . 15046 1 543 . 1 1 52 52 LYS N N 15 123.200 0.400 . 1 . . . . 44 LYS N . 15046 1 544 . 1 1 53 53 SER H H 1 8.464 0.020 . 1 . . . . 45 SER H . 15046 1 545 . 1 1 53 53 SER HA H 1 4.293 0.020 . 1 . . . . 45 SER HA . 15046 1 546 . 1 1 53 53 SER HB2 H 1 3.688 0.020 . 2 . . . . 45 SER HB2 . 15046 1 547 . 1 1 53 53 SER HB3 H 1 3.736 0.020 . 2 . . . . 45 SER HB3 . 15046 1 548 . 1 1 53 53 SER C C 13 171.600 0.400 . 1 . . . . 45 SER C . 15046 1 549 . 1 1 53 53 SER CA C 13 56.160 0.400 . 1 . . . . 45 SER CA . 15046 1 550 . 1 1 53 53 SER CB C 13 62.440 0.400 . 1 . . . . 45 SER CB . 15046 1 551 . 1 1 53 53 SER N N 15 113.800 0.400 . 1 . . . . 45 SER N . 15046 1 552 . 1 1 54 54 VAL H H 1 7.214 0.020 . 1 . . . . 46 VAL H . 15046 1 553 . 1 1 54 54 VAL HA H 1 3.755 0.020 . 1 . . . . 46 VAL HA . 15046 1 554 . 1 1 54 54 VAL HB H 1 1.989 0.020 . 1 . . . . 46 VAL HB . 15046 1 555 . 1 1 54 54 VAL HG11 H 1 0.655 0.020 . 2 . . . . 46 VAL HG1 . 15046 1 556 . 1 1 54 54 VAL HG12 H 1 0.655 0.020 . 2 . . . . 46 VAL HG1 . 15046 1 557 . 1 1 54 54 VAL HG13 H 1 0.655 0.020 . 2 . . . . 46 VAL HG1 . 15046 1 558 . 1 1 54 54 VAL HG21 H 1 0.740 0.020 . 2 . . . . 46 VAL HG2 . 15046 1 559 . 1 1 54 54 VAL HG22 H 1 0.740 0.020 . 2 . . . . 46 VAL HG2 . 15046 1 560 . 1 1 54 54 VAL HG23 H 1 0.740 0.020 . 2 . . . . 46 VAL HG2 . 15046 1 561 . 1 1 54 54 VAL C C 13 172.500 0.400 . 1 . . . . 46 VAL C . 15046 1 562 . 1 1 54 54 VAL CA C 13 60.450 0.400 . 1 . . . . 46 VAL CA . 15046 1 563 . 1 1 54 54 VAL CB C 13 29.730 0.400 . 1 . . . . 46 VAL CB . 15046 1 564 . 1 1 54 54 VAL CG1 C 13 19.900 0.400 . 1 . . . . 46 VAL CG1 . 15046 1 565 . 1 1 54 54 VAL CG2 C 13 19.640 0.400 . 1 . . . . 46 VAL CG2 . 15046 1 566 . 1 1 54 54 VAL N N 15 122.100 0.400 . 1 . . . . 46 VAL N . 15046 1 567 . 1 1 55 55 GLY H H 1 9.313 0.020 . 1 . . . . 47 GLY H . 15046 1 568 . 1 1 55 55 GLY HA2 H 1 3.767 0.020 . 2 . . . . 47 GLY HA2 . 15046 1 569 . 1 1 55 55 GLY HA3 H 1 4.330 0.020 . 2 . . . . 47 GLY HA3 . 15046 1 570 . 1 1 55 55 GLY C C 13 171.500 0.400 . 1 . . . . 47 GLY C . 15046 1 571 . 1 1 55 55 GLY CA C 13 42.850 0.400 . 1 . . . . 47 GLY CA . 15046 1 572 . 1 1 55 55 GLY N N 15 114.800 0.400 . 1 . . . . 47 GLY N . 15046 1 573 . 1 1 56 56 ILE H H 1 7.564 0.020 . 1 . . . . 48 ILE H . 15046 1 574 . 1 1 56 56 ILE HA H 1 4.871 0.020 . 1 . . . . 48 ILE HA . 15046 1 575 . 1 1 56 56 ILE HB H 1 1.496 0.020 . 1 . . . . 48 ILE HB . 15046 1 576 . 1 1 56 56 ILE HG12 H 1 1.334 0.020 . 1 . . . . 48 ILE HG12 . 15046 1 577 . 1 1 56 56 ILE HG13 H 1 1.334 0.020 . 1 . . . . 48 ILE HG13 . 15046 1 578 . 1 1 56 56 ILE HG21 H 1 0.912 0.020 . 1 . . . . 48 ILE HG2 . 15046 1 579 . 1 1 56 56 ILE HG22 H 1 0.912 0.020 . 1 . . . . 48 ILE HG2 . 15046 1 580 . 1 1 56 56 ILE HG23 H 1 0.912 0.020 . 1 . . . . 48 ILE HG2 . 15046 1 581 . 1 1 56 56 ILE HD11 H 1 0.665 0.020 . 1 . . . . 48 ILE HD1 . 15046 1 582 . 1 1 56 56 ILE HD12 H 1 0.665 0.020 . 1 . . . . 48 ILE HD1 . 15046 1 583 . 1 1 56 56 ILE HD13 H 1 0.665 0.020 . 1 . . . . 48 ILE HD1 . 15046 1 584 . 1 1 56 56 ILE C C 13 175.7 0.400 . 1 . . . . 48 ILE C . 15046 1 585 . 1 1 56 56 ILE CA C 13 56.590 0.400 . 1 . . . . 48 ILE CA . 15046 1 586 . 1 1 56 56 ILE CB C 13 38.570 0.400 . 1 . . . . 48 ILE CB . 15046 1 587 . 1 1 56 56 ILE CG1 C 13 25.160 0.400 . 1 . . . . 48 ILE CG1 . 15046 1 588 . 1 1 56 56 ILE CG2 C 13 15.070 0.400 . 1 . . . . 48 ILE CG2 . 15046 1 589 . 1 1 56 56 ILE CD1 C 13 10.830 0.400 . 1 . . . . 48 ILE CD1 . 15046 1 590 . 1 1 56 56 ILE N N 15 122.100 0.400 . 1 . . . . 48 ILE N . 15046 1 591 . 1 1 57 57 LEU H H 1 8.706 0.020 . 1 . . . . 49 LEU H . 15046 1 592 . 1 1 57 57 LEU HA H 1 5.030 0.020 . 1 . . . . 49 LEU HA . 15046 1 593 . 1 1 57 57 LEU HB2 H 1 1.462 0.020 . 2 . . . . 49 LEU HB2 . 15046 1 594 . 1 1 57 57 LEU HB3 H 1 1.265 0.020 . 2 . . . . 49 LEU HB3 . 15046 1 595 . 1 1 57 57 LEU HG H 1 0.827 0.020 . 1 . . . . 49 LEU HG . 15046 1 596 . 1 1 57 57 LEU HD11 H 1 0.679 0.020 . 2 . . . . 49 LEU HD1 . 15046 1 597 . 1 1 57 57 LEU HD12 H 1 0.679 0.020 . 2 . . . . 49 LEU HD1 . 15046 1 598 . 1 1 57 57 LEU HD13 H 1 0.679 0.020 . 2 . . . . 49 LEU HD1 . 15046 1 599 . 1 1 57 57 LEU HD21 H 1 0.645 0.020 . 2 . . . . 49 LEU HD2 . 15046 1 600 . 1 1 57 57 LEU HD22 H 1 0.645 0.020 . 2 . . . . 49 LEU HD2 . 15046 1 601 . 1 1 57 57 LEU HD23 H 1 0.645 0.020 . 2 . . . . 49 LEU HD2 . 15046 1 602 . 1 1 57 57 LEU C C 13 170.400 0.400 . 1 . . . . 49 LEU C . 15046 1 603 . 1 1 57 57 LEU CA C 13 49.500 0.400 . 1 . . . . 49 LEU CA . 15046 1 604 . 1 1 57 57 LEU CB C 13 42.130 0.400 . 1 . . . . 49 LEU CB . 15046 1 605 . 1 1 57 57 LEU CG C 13 25.410 0.400 . 1 . . . . 49 LEU CG . 15046 1 606 . 1 1 57 57 LEU CD1 C 13 24.610 0.400 . 1 . . . . 49 LEU CD1 . 15046 1 607 . 1 1 57 57 LEU CD2 C 13 21.030 0.400 . 1 . . . . 49 LEU CD2 . 15046 1 608 . 1 1 57 57 LEU N N 15 128.800 0.400 . 1 . . . . 49 LEU N . 15046 1 609 . 1 1 58 58 VAL H H 1 9.018 0.020 . 1 . . . . 50 VAL H . 15046 1 610 . 1 1 58 58 VAL HA H 1 4.906 0.020 . 1 . . . . 50 VAL HA . 15046 1 611 . 1 1 58 58 VAL HB H 1 1.676 0.020 . 1 . . . . 50 VAL HB . 15046 1 612 . 1 1 58 58 VAL HG11 H 1 0.695 0.020 . 2 . . . . 50 VAL HG1 . 15046 1 613 . 1 1 58 58 VAL HG12 H 1 0.695 0.020 . 2 . . . . 50 VAL HG1 . 15046 1 614 . 1 1 58 58 VAL HG13 H 1 0.695 0.020 . 2 . . . . 50 VAL HG1 . 15046 1 615 . 1 1 58 58 VAL HG21 H 1 0.806 0.020 . 2 . . . . 50 VAL HG2 . 15046 1 616 . 1 1 58 58 VAL HG22 H 1 0.806 0.020 . 2 . . . . 50 VAL HG2 . 15046 1 617 . 1 1 58 58 VAL HG23 H 1 0.806 0.020 . 2 . . . . 50 VAL HG2 . 15046 1 618 . 1 1 58 58 VAL C C 13 171.500 0.400 . 1 . . . . 50 VAL C . 15046 1 619 . 1 1 58 58 VAL CA C 13 58.380 0.400 . 1 . . . . 50 VAL CA . 15046 1 620 . 1 1 58 58 VAL CB C 13 30.110 0.400 . 1 . . . . 50 VAL CB . 15046 1 621 . 1 1 58 58 VAL CG1 C 13 18.840 0.400 . 1 . . . . 50 VAL CG1 . 15046 1 622 . 1 1 58 58 VAL CG2 C 13 18.730 0.400 . 1 . . . . 50 VAL CG2 . 15046 1 623 . 1 1 58 58 VAL N N 15 128.100 0.400 . 1 . . . . 50 VAL N . 15046 1 624 . 1 1 59 59 MET H H 1 8.408 0.020 . 1 . . . . 51 MET H . 15046 1 625 . 1 1 59 59 MET HA H 1 4.912 0.020 . 1 . . . . 51 MET HA . 15046 1 626 . 1 1 59 59 MET HB2 H 1 2.133 0.020 . 1 . . . . 51 MET HB2 . 15046 1 627 . 1 1 59 59 MET HB3 H 1 2.133 0.020 . 1 . . . . 51 MET HB3 . 15046 1 628 . 1 1 59 59 MET HG2 H 1 2.327 0.020 . 2 . . . . 51 MET HG2 . 15046 1 629 . 1 1 59 59 MET HG3 H 1 2.571 0.020 . 2 . . . . 51 MET HG3 . 15046 1 630 . 1 1 59 59 MET C C 13 170.200 0.400 . 1 . . . . 51 MET C . 15046 1 631 . 1 1 59 59 MET CA C 13 51.840 0.400 . 1 . . . . 51 MET CA . 15046 1 632 . 1 1 59 59 MET CB C 13 37.420 0.400 . 1 . . . . 51 MET CB . 15046 1 633 . 1 1 59 59 MET CG C 13 30.340 0.400 . 1 . . . . 51 MET CG . 15046 1 634 . 1 1 59 59 MET N N 15 123.100 0.400 . 1 . . . . 51 MET N . 15046 1 635 . 1 1 60 60 HIS H H 1 10.310 0.020 . 1 . . . . 52 HIS H . 15046 1 636 . 1 1 60 60 HIS HA H 1 4.370 0.020 . 1 . . . . 52 HIS HA . 15046 1 637 . 1 1 60 60 HIS HB2 H 1 1.377 0.020 . 2 . . . . 52 HIS HB2 . 15046 1 638 . 1 1 60 60 HIS HB3 H 1 2.484 0.020 . 2 . . . . 52 HIS HB3 . 15046 1 639 . 1 1 60 60 HIS HD2 H 1 7.273 0.020 . 1 . . . . 52 HIS HD2 . 15046 1 640 . 1 1 60 60 HIS HE1 H 1 7.191 0.020 . 1 . . . . 52 HIS HE1 . 15046 1 641 . 1 1 60 60 HIS C C 13 175.100 0.400 . 1 . . . . 52 HIS C . 15046 1 642 . 1 1 60 60 HIS CA C 13 53.730 0.400 . 1 . . . . 52 HIS CA . 15046 1 643 . 1 1 60 60 HIS CB C 13 29.290 0.400 . 1 . . . . 52 HIS CB . 15046 1 644 . 1 1 60 60 HIS N N 15 123.800 0.400 . 1 . . . . 52 HIS N . 15046 1 645 . 1 1 61 61 ASN H H 1 8.728 0.020 . 1 . . . . 53 ASN H . 15046 1 646 . 1 1 61 61 ASN HA H 1 4.110 0.020 . 1 . . . . 53 ASN HA . 15046 1 647 . 1 1 61 61 ASN HB2 H 1 2.461 0.020 . 2 . . . . 53 ASN HB2 . 15046 1 648 . 1 1 61 61 ASN HB3 H 1 2.217 0.020 . 2 . . . . 53 ASN HB3 . 15046 1 649 . 1 1 61 61 ASN HD21 H 1 6.632 0.020 . 2 . . . . 53 ASN HD21 . 15046 1 650 . 1 1 61 61 ASN HD22 H 1 7.400 0.020 . 2 . . . . 53 ASN HD22 . 15046 1 651 . 1 1 61 61 ASN C C 13 174.900 0.400 . 1 . . . . 53 ASN C . 15046 1 652 . 1 1 61 61 ASN CA C 13 54.340 0.400 . 1 . . . . 53 ASN CA . 15046 1 653 . 1 1 61 61 ASN CB C 13 36.970 0.400 . 1 . . . . 53 ASN CB . 15046 1 654 . 1 1 61 61 ASN N N 15 126.600 0.400 . 1 . . . . 53 ASN N . 15046 1 655 . 1 1 61 61 ASN ND2 N 15 112.500 0.400 . 1 . . . . 53 ASN ND2 . 15046 1 656 . 1 1 62 62 ASP H H 1 11.520 0.020 . 1 . . . . 54 ASP H . 15046 1 657 . 1 1 62 62 ASP HA H 1 4.172 0.020 . 1 . . . . 54 ASP HA . 15046 1 658 . 1 1 62 62 ASP HB2 H 1 2.180 0.020 . 2 . . . . 54 ASP HB2 . 15046 1 659 . 1 1 62 62 ASP HB3 H 1 2.486 0.020 . 2 . . . . 54 ASP HB3 . 15046 1 660 . 1 1 62 62 ASP C C 13 175.800 0.400 . 1 . . . . 54 ASP C . 15046 1 661 . 1 1 62 62 ASP CA C 13 54.590 0.400 . 1 . . . . 54 ASP CA . 15046 1 662 . 1 1 62 62 ASP CB C 13 37.050 0.400 . 1 . . . . 54 ASP CB . 15046 1 663 . 1 1 62 62 ASP N N 15 123.600 0.400 . 1 . . . . 54 ASP N . 15046 1 664 . 1 1 63 63 ASP H H 1 7.239 0.020 . 1 . . . . 55 ASP H . 15046 1 665 . 1 1 63 63 ASP HA H 1 4.435 0.020 . 1 . . . . 55 ASP HA . 15046 1 666 . 1 1 63 63 ASP HB2 H 1 2.280 0.020 . 2 . . . . 55 ASP HB2 . 15046 1 667 . 1 1 63 63 ASP HB3 H 1 2.876 0.020 . 2 . . . . 55 ASP HB3 . 15046 1 668 . 1 1 63 63 ASP C C 13 176.400 0.400 . 1 . . . . 55 ASP C . 15046 1 669 . 1 1 63 63 ASP CA C 13 53.640 0.400 . 1 . . . . 55 ASP CA . 15046 1 670 . 1 1 63 63 ASP CB C 13 37.630 0.400 . 1 . . . . 55 ASP CB . 15046 1 671 . 1 1 63 63 ASP N N 15 117.600 0.400 . 1 . . . . 55 ASP N . 15046 1 672 . 1 1 64 64 ILE H H 1 7.530 0.020 . 1 . . . . 56 ILE H . 15046 1 673 . 1 1 64 64 ILE HA H 1 3.306 0.020 . 1 . . . . 56 ILE HA . 15046 1 674 . 1 1 64 64 ILE HB H 1 1.693 0.020 . 1 . . . . 56 ILE HB . 15046 1 675 . 1 1 64 64 ILE HG13 H 1 1.523 0.020 . 2 . . . . 56 ILE HG13 . 15046 1 676 . 1 1 64 64 ILE HG21 H 1 0.714 0.020 . 1 . . . . 56 ILE HG2 . 15046 1 677 . 1 1 64 64 ILE HG22 H 1 0.714 0.020 . 1 . . . . 56 ILE HG2 . 15046 1 678 . 1 1 64 64 ILE HG23 H 1 0.714 0.020 . 1 . . . . 56 ILE HG2 . 15046 1 679 . 1 1 64 64 ILE HD11 H 1 0.673 0.020 . 1 . . . . 56 ILE HD1 . 15046 1 680 . 1 1 64 64 ILE HD12 H 1 0.673 0.020 . 1 . . . . 56 ILE HD1 . 15046 1 681 . 1 1 64 64 ILE HD13 H 1 0.673 0.020 . 1 . . . . 56 ILE HD1 . 15046 1 682 . 1 1 64 64 ILE C C 13 175.700 0.400 . 1 . . . . 56 ILE C . 15046 1 683 . 1 1 64 64 ILE CA C 13 62.780 0.400 . 1 . . . . 56 ILE CA . 15046 1 684 . 1 1 64 64 ILE CB C 13 35.240 0.400 . 1 . . . . 56 ILE CB . 15046 1 685 . 1 1 64 64 ILE CG1 C 13 26.290 0.400 . 1 . . . . 56 ILE CG1 . 15046 1 686 . 1 1 64 64 ILE CG2 C 13 14.430 0.400 . 1 . . . . 56 ILE CG2 . 15046 1 687 . 1 1 64 64 ILE CD1 C 13 10.780 0.400 . 1 . . . . 56 ILE CD1 . 15046 1 688 . 1 1 64 64 ILE N N 15 120.000 0.400 . 1 . . . . 56 ILE N . 15046 1 689 . 1 1 65 65 GLY H H 1 7.650 0.020 . 1 . . . . 57 GLY H . 15046 1 690 . 1 1 65 65 GLY HA2 H 1 3.702 0.020 . 2 . . . . 57 GLY HA2 . 15046 1 691 . 1 1 65 65 GLY HA3 H 1 3.763 0.020 . 2 . . . . 57 GLY HA3 . 15046 1 692 . 1 1 65 65 GLY C C 13 171.300 0.400 . 1 . . . . 57 GLY C . 15046 1 693 . 1 1 65 65 GLY CA C 13 43.800 0.400 . 1 . . . . 57 GLY CA . 15046 1 694 . 1 1 65 65 GLY N N 15 102.700 0.400 . 1 . . . . 57 GLY N . 15046 1 695 . 1 1 66 66 ASN H H 1 6.995 0.020 . 1 . . . . 58 ASN H . 15046 1 696 . 1 1 66 66 ASN HA H 1 4.795 0.020 . 1 . . . . 58 ASN HA . 15046 1 697 . 1 1 66 66 ASN HB2 H 1 2.696 0.020 . 2 . . . . 58 ASN HB2 . 15046 1 698 . 1 1 66 66 ASN HB3 H 1 2.881 0.020 . 2 . . . . 58 ASN HB3 . 15046 1 699 . 1 1 66 66 ASN HD21 H 1 7.582 0.020 . 2 . . . . 58 ASN HD21 . 15046 1 700 . 1 1 66 66 ASN HD22 H 1 6.870 0.020 . 2 . . . . 58 ASN HD22 . 15046 1 701 . 1 1 66 66 ASN C C 13 172.500 0.400 . 1 . . . . 58 ASN C . 15046 1 702 . 1 1 66 66 ASN CA C 13 50.180 0.400 . 1 . . . . 58 ASN CA . 15046 1 703 . 1 1 66 66 ASN CB C 13 37.140 0.400 . 1 . . . . 58 ASN CB . 15046 1 704 . 1 1 66 66 ASN N N 15 115.200 0.400 . 1 . . . . 58 ASN N . 15046 1 705 . 1 1 66 66 ASN ND2 N 15 113.800 0.400 . 1 . . . . 58 ASN ND2 . 15046 1 706 . 1 1 67 67 LEU H H 1 7.320 0.020 . 1 . . . . 59 LEU H . 15046 1 707 . 1 1 67 67 LEU HA H 1 4.356 0.020 . 1 . . . . 59 LEU HA . 15046 1 708 . 1 1 67 67 LEU HB2 H 1 2.109 0.020 . 2 . . . . 59 LEU HB2 . 15046 1 709 . 1 1 67 67 LEU HB3 H 1 1.821 0.020 . 2 . . . . 59 LEU HB3 . 15046 1 710 . 1 1 67 67 LEU HG H 1 1.496 0.020 . 1 . . . . 59 LEU HG . 15046 1 711 . 1 1 67 67 LEU HD11 H 1 1.141 0.020 . 2 . . . . 59 LEU HD1 . 15046 1 712 . 1 1 67 67 LEU HD12 H 1 1.141 0.020 . 2 . . . . 59 LEU HD1 . 15046 1 713 . 1 1 67 67 LEU HD13 H 1 1.141 0.020 . 2 . . . . 59 LEU HD1 . 15046 1 714 . 1 1 67 67 LEU HD21 H 1 0.673 0.020 . 2 . . . . 59 LEU HD2 . 15046 1 715 . 1 1 67 67 LEU HD22 H 1 0.673 0.020 . 2 . . . . 59 LEU HD2 . 15046 1 716 . 1 1 67 67 LEU HD23 H 1 0.673 0.020 . 2 . . . . 59 LEU HD2 . 15046 1 717 . 1 1 67 67 LEU C C 13 171.100 0.400 . 1 . . . . 59 LEU C . 15046 1 718 . 1 1 67 67 LEU CA C 13 50.600 0.400 . 1 . . . . 59 LEU CA . 15046 1 719 . 1 1 67 67 LEU CB C 13 38.470 0.400 . 1 . . . . 59 LEU CB . 15046 1 720 . 1 1 67 67 LEU CG C 13 24.920 0.400 . 1 . . . . 59 LEU CG . 15046 1 721 . 1 1 67 67 LEU CD1 C 13 22.950 0.400 . 1 . . . . 59 LEU CD1 . 15046 1 722 . 1 1 67 67 LEU N N 15 120.200 0.400 . 1 . . . . 59 LEU N . 15046 1 723 . 1 1 68 68 PRO HA H 1 4.373 0.020 . 1 . . . . 60 PRO HA . 15046 1 724 . 1 1 68 68 PRO HB2 H 1 2.387 0.020 . 2 . . . . 60 PRO HB2 . 15046 1 725 . 1 1 68 68 PRO HB3 H 1 2.008 0.020 . 2 . . . . 60 PRO HB3 . 15046 1 726 . 1 1 68 68 PRO HG2 H 1 1.747 0.020 . 1 . . . . 60 PRO HG2 . 15046 1 727 . 1 1 68 68 PRO HG3 H 1 1.747 0.020 . 1 . . . . 60 PRO HG3 . 15046 1 728 . 1 1 68 68 PRO HD2 H 1 3.273 0.020 . 2 . . . . 60 PRO HD2 . 15046 1 729 . 1 1 68 68 PRO HD3 H 1 3.762 0.020 . 2 . . . . 60 PRO HD3 . 15046 1 730 . 1 1 68 68 PRO C C 13 174.500 0.400 . 1 . . . . 60 PRO C . 15046 1 731 . 1 1 68 68 PRO CA C 13 59.990 0.400 . 1 . . . . 60 PRO CA . 15046 1 732 . 1 1 68 68 PRO CB C 13 28.600 0.400 . 1 . . . . 60 PRO CB . 15046 1 733 . 1 1 68 68 PRO CG C 13 24.850 0.400 . 1 . . . . 60 PRO CG . 15046 1 734 . 1 1 68 68 PRO CD C 13 47.440 0.400 . 1 . . . . 60 PRO CD . 15046 1 735 . 1 1 69 69 GLU H H 1 8.736 0.020 . 1 . . . . 61 GLU H . 15046 1 736 . 1 1 69 69 GLU HA H 1 3.655 0.020 . 1 . . . . 61 GLU HA . 15046 1 737 . 1 1 69 69 GLU HB2 H 1 1.871 0.020 . 2 . . . . 61 GLU HB2 . 15046 1 738 . 1 1 69 69 GLU HB3 H 1 1.918 0.020 . 2 . . . . 61 GLU HB3 . 15046 1 739 . 1 1 69 69 GLU HG2 H 1 2.160 0.020 . 1 . . . . 61 GLU HG2 . 15046 1 740 . 1 1 69 69 GLU HG3 H 1 2.160 0.020 . 1 . . . . 61 GLU HG3 . 15046 1 741 . 1 1 69 69 GLU C C 13 175.200 0.400 . 1 . . . . 61 GLU C . 15046 1 742 . 1 1 69 69 GLU CA C 13 58.120 0.400 . 1 . . . . 61 GLU CA . 15046 1 743 . 1 1 69 69 GLU CB C 13 27.080 0.400 . 1 . . . . 61 GLU CB . 15046 1 744 . 1 1 69 69 GLU CG C 13 33.260 0.400 . 1 . . . . 61 GLU CG . 15046 1 745 . 1 1 69 69 GLU N N 15 124.400 0.400 . 1 . . . . 61 GLU N . 15046 1 746 . 1 1 70 70 VAL H H 1 8.448 0.020 . 1 . . . . 62 VAL H . 15046 1 747 . 1 1 70 70 VAL HA H 1 3.687 0.020 . 1 . . . . 62 VAL HA . 15046 1 748 . 1 1 70 70 VAL HB H 1 1.944 0.020 . 1 . . . . 62 VAL HB . 15046 1 749 . 1 1 70 70 VAL HG11 H 1 0.830 0.020 . 2 . . . . 62 VAL HG1 . 15046 1 750 . 1 1 70 70 VAL HG12 H 1 0.830 0.020 . 2 . . . . 62 VAL HG1 . 15046 1 751 . 1 1 70 70 VAL HG13 H 1 0.830 0.020 . 2 . . . . 62 VAL HG1 . 15046 1 752 . 1 1 70 70 VAL HG21 H 1 0.880 0.020 . 2 . . . . 62 VAL HG2 . 15046 1 753 . 1 1 70 70 VAL HG22 H 1 0.880 0.020 . 2 . . . . 62 VAL HG2 . 15046 1 754 . 1 1 70 70 VAL HG23 H 1 0.880 0.020 . 2 . . . . 62 VAL HG2 . 15046 1 755 . 1 1 70 70 VAL C C 13 174.200 0.400 . 1 . . . . 62 VAL C . 15046 1 756 . 1 1 70 70 VAL CA C 13 62.920 0.400 . 1 . . . . 62 VAL CA . 15046 1 757 . 1 1 70 70 VAL CB C 13 28.290 0.400 . 1 . . . . 62 VAL CB . 15046 1 758 . 1 1 70 70 VAL CG1 C 13 19.050 0.400 . 1 . . . . 62 VAL CG1 . 15046 1 759 . 1 1 70 70 VAL CG2 C 13 17.730 0.400 . 1 . . . . 62 VAL CG2 . 15046 1 760 . 1 1 70 70 VAL N N 15 116.300 0.400 . 1 . . . . 62 VAL N . 15046 1 761 . 1 1 71 71 LEU H H 1 6.729 0.020 . 1 . . . . 63 LEU H . 15046 1 762 . 1 1 71 71 LEU HA H 1 4.175 0.020 . 1 . . . . 63 LEU HA . 15046 1 763 . 1 1 71 71 LEU HB2 H 1 1.510 0.020 . 2 . . . . 63 LEU HB2 . 15046 1 764 . 1 1 71 71 LEU HB3 H 1 1.760 0.020 . 2 . . . . 63 LEU HB3 . 15046 1 765 . 1 1 71 71 LEU HG H 1 1.400 0.020 . 1 . . . . 63 LEU HG . 15046 1 766 . 1 1 71 71 LEU HD11 H 1 0.830 0.020 . 2 . . . . 63 LEU HD1 . 15046 1 767 . 1 1 71 71 LEU HD12 H 1 0.830 0.020 . 2 . . . . 63 LEU HD1 . 15046 1 768 . 1 1 71 71 LEU HD13 H 1 0.830 0.020 . 2 . . . . 63 LEU HD1 . 15046 1 769 . 1 1 71 71 LEU HD21 H 1 0.620 0.020 . 2 . . . . 63 LEU HD2 . 15046 1 770 . 1 1 71 71 LEU HD22 H 1 0.620 0.020 . 2 . . . . 63 LEU HD2 . 15046 1 771 . 1 1 71 71 LEU HD23 H 1 0.620 0.020 . 2 . . . . 63 LEU HD2 . 15046 1 772 . 1 1 71 71 LEU C C 13 175.700 0.400 . 1 . . . . 63 LEU C . 15046 1 773 . 1 1 71 71 LEU CA C 13 53.690 0.400 . 1 . . . . 63 LEU CA . 15046 1 774 . 1 1 71 71 LEU CB C 13 39.770 0.400 . 1 . . . . 63 LEU CB . 15046 1 775 . 1 1 71 71 LEU CG C 13 27.120 0.400 . 1 . . . . 63 LEU CG . 15046 1 776 . 1 1 71 71 LEU CD1 C 13 22.680 0.400 . 1 . . . . 63 LEU CD1 . 15046 1 777 . 1 1 71 71 LEU CD2 C 13 21.280 0.400 . 1 . . . . 63 LEU CD2 . 15046 1 778 . 1 1 71 71 LEU N N 15 120.100 0.400 . 1 . . . . 63 LEU N . 15046 1 779 . 1 1 72 72 ARG H H 1 8.076 0.020 . 1 . . . . 64 ARG H . 15046 1 780 . 1 1 72 72 ARG HA H 1 3.624 0.020 . 1 . . . . 64 ARG HA . 15046 1 781 . 1 1 72 72 ARG HB2 H 1 1.729 0.020 . 2 . . . . 64 ARG HB2 . 15046 1 782 . 1 1 72 72 ARG HB3 H 1 1.700 0.020 . 2 . . . . 64 ARG HB3 . 15046 1 783 . 1 1 72 72 ARG HG2 H 1 1.516 0.020 . 2 . . . . 64 ARG HG2 . 15046 1 784 . 1 1 72 72 ARG HG3 H 1 1.386 0.020 . 2 . . . . 64 ARG HG3 . 15046 1 785 . 1 1 72 72 ARG HD2 H 1 3.102 0.020 . 2 . . . . 64 ARG HD2 . 15046 1 786 . 1 1 72 72 ARG HD3 H 1 3.283 0.020 . 2 . . . . 64 ARG HD3 . 15046 1 787 . 1 1 72 72 ARG HH11 H 1 6.524 0.020 . 1 . . . . 64 ARG HH11 . 15046 1 788 . 1 1 72 72 ARG HH12 H 1 6.524 0.020 . 1 . . . . 64 ARG HH12 . 15046 1 789 . 1 1 72 72 ARG HH21 H 1 6.970 0.020 . 1 . . . . 64 ARG HH21 . 15046 1 790 . 1 1 72 72 ARG HH22 H 1 6.970 0.020 . 1 . . . . 64 ARG HH22 . 15046 1 791 . 1 1 72 72 ARG C C 13 175.500 0.400 . 1 . . . . 64 ARG C . 15046 1 792 . 1 1 72 72 ARG CA C 13 57.770 0.400 . 1 . . . . 64 ARG CA . 15046 1 793 . 1 1 72 72 ARG CB C 13 27.540 0.400 . 1 . . . . 64 ARG CB . 15046 1 794 . 1 1 72 72 ARG CG C 13 25.440 0.400 . 1 . . . . 64 ARG CG . 15046 1 795 . 1 1 72 72 ARG CD C 13 41.260 0.400 . 1 . . . . 64 ARG CD . 15046 1 796 . 1 1 72 72 ARG N N 15 119.100 0.400 . 1 . . . . 64 ARG N . 15046 1 797 . 1 1 72 72 ARG NH2 N 15 83.04 0.400 . 1 . . . . 64 ARG NH2 . 15046 1 798 . 1 1 73 73 LYS H H 1 8.100 0.020 . 1 . . . . 65 LYS H . 15046 1 799 . 1 1 73 73 LYS HA H 1 3.897 0.020 . 1 . . . . 65 LYS HA . 15046 1 800 . 1 1 73 73 LYS HB2 H 1 1.700 0.020 . 2 . . . . 65 LYS HB2 . 15046 1 801 . 1 1 73 73 LYS HB3 H 1 1.756 0.020 . 2 . . . . 65 LYS HB3 . 15046 1 802 . 1 1 73 73 LYS HG2 H 1 1.198 0.020 . 2 . . . . 65 LYS HG2 . 15046 1 803 . 1 1 73 73 LYS HG3 H 1 1.350 0.020 . 2 . . . . 65 LYS HG3 . 15046 1 804 . 1 1 73 73 LYS HD2 H 1 1.540 0.020 . 2 . . . . 65 LYS HD2 . 15046 1 805 . 1 1 73 73 LYS HE2 H 1 2.736 0.020 . 2 . . . . 65 LYS HE2 . 15046 1 806 . 1 1 73 73 LYS HE3 H 1 2.814 0.020 . 2 . . . . 65 LYS HE3 . 15046 1 807 . 1 1 73 73 LYS HZ1 H 1 7.443 0.020 . 1 . . . . 65 LYS HZ1 . 15046 1 808 . 1 1 73 73 LYS HZ2 H 1 7.443 0.020 . 1 . . . . 65 LYS HZ2 . 15046 1 809 . 1 1 73 73 LYS HZ3 H 1 7.443 0.020 . 1 . . . . 65 LYS HZ3 . 15046 1 810 . 1 1 73 73 LYS C C 13 175.500 0.400 . 1 . . . . 65 LYS C . 15046 1 811 . 1 1 73 73 LYS CA C 13 57.190 0.400 . 1 . . . . 65 LYS CA . 15046 1 812 . 1 1 73 73 LYS CB C 13 29.310 0.400 . 1 . . . . 65 LYS CB . 15046 1 813 . 1 1 73 73 LYS CG C 13 22.050 0.400 . 1 . . . . 65 LYS CG . 15046 1 814 . 1 1 73 73 LYS CD C 13 26.700 0.400 . 1 . . . . 65 LYS CD . 15046 1 815 . 1 1 73 73 LYS CE C 13 39.510 0.400 . 1 . . . . 65 LYS CE . 15046 1 816 . 1 1 73 73 LYS N N 15 119.100 0.400 . 1 . . . . 65 LYS N . 15046 1 817 . 1 1 74 74 ASN H H 1 7.614 0.020 . 1 . . . . 66 ASN H . 15046 1 818 . 1 1 74 74 ASN HA H 1 4.323 0.020 . 1 . . . . 66 ASN HA . 15046 1 819 . 1 1 74 74 ASN HB2 H 1 2.706 0.020 . 2 . . . . 66 ASN HB2 . 15046 1 820 . 1 1 74 74 ASN HB3 H 1 2.761 0.020 . 2 . . . . 66 ASN HB3 . 15046 1 821 . 1 1 74 74 ASN HD21 H 1 6.752 0.020 . 2 . . . . 66 ASN HD21 . 15046 1 822 . 1 1 74 74 ASN HD22 H 1 7.085 0.020 . 2 . . . . 66 ASN HD22 . 15046 1 823 . 1 1 74 74 ASN C C 13 175.800 0.400 . 1 . . . . 66 ASN C . 15046 1 824 . 1 1 74 74 ASN CA C 13 53.340 0.400 . 1 . . . . 66 ASN CA . 15046 1 825 . 1 1 74 74 ASN CB C 13 35.730 0.400 . 1 . . . . 66 ASN CB . 15046 1 826 . 1 1 74 74 ASN N N 15 116.800 0.400 . 1 . . . . 66 ASN N . 15046 1 827 . 1 1 74 74 ASN ND2 N 15 109.100 0.400 . 1 . . . . 66 ASN ND2 . 15046 1 828 . 1 1 75 75 LEU H H 1 8.317 0.020 . 1 . . . . 67 LEU H . 15046 1 829 . 1 1 75 75 LEU HA H 1 3.863 0.020 . 1 . . . . 67 LEU HA . 15046 1 830 . 1 1 75 75 LEU HB2 H 1 1.681 0.020 . 2 . . . . 67 LEU HB2 . 15046 1 831 . 1 1 75 75 LEU HB3 H 1 1.752 0.020 . 2 . . . . 67 LEU HB3 . 15046 1 832 . 1 1 75 75 LEU HG H 1 1.385 0.020 . 1 . . . . 67 LEU HG . 15046 1 833 . 1 1 75 75 LEU HD11 H 1 0.657 0.020 . 2 . . . . 67 LEU HD1 . 15046 1 834 . 1 1 75 75 LEU HD12 H 1 0.657 0.020 . 2 . . . . 67 LEU HD1 . 15046 1 835 . 1 1 75 75 LEU HD13 H 1 0.657 0.020 . 2 . . . . 67 LEU HD1 . 15046 1 836 . 1 1 75 75 LEU HD21 H 1 0.840 0.020 . 2 . . . . 67 LEU HD2 . 15046 1 837 . 1 1 75 75 LEU HD22 H 1 0.840 0.020 . 2 . . . . 67 LEU HD2 . 15046 1 838 . 1 1 75 75 LEU HD23 H 1 0.840 0.020 . 2 . . . . 67 LEU HD2 . 15046 1 839 . 1 1 75 75 LEU C C 13 175.400 0.400 . 1 . . . . 67 LEU C . 15046 1 840 . 1 1 75 75 LEU CA C 13 55.230 0.400 . 1 . . . . 67 LEU CA . 15046 1 841 . 1 1 75 75 LEU CB C 13 38.970 0.400 . 1 . . . . 67 LEU CB . 15046 1 842 . 1 1 75 75 LEU CG C 13 23.820 0.400 . 1 . . . . 67 LEU CG . 15046 1 843 . 1 1 75 75 LEU CD1 C 13 21.310 0.400 . 1 . . . . 67 LEU CD1 . 15046 1 844 . 1 1 75 75 LEU CD2 C 13 20.980 0.400 . 1 . . . . 67 LEU CD2 . 15046 1 845 . 1 1 75 75 LEU N N 15 119.200 0.400 . 1 . . . . 67 LEU N . 15046 1 846 . 1 1 76 76 ASN H H 1 7.976 0.020 . 1 . . . . 68 ASN H . 15046 1 847 . 1 1 76 76 ASN HA H 1 4.364 0.020 . 1 . . . . 68 ASN HA . 15046 1 848 . 1 1 76 76 ASN HB2 H 1 2.724 0.020 . 2 . . . . 68 ASN HB2 . 15046 1 849 . 1 1 76 76 ASN HB3 H 1 2.825 0.020 . 2 . . . . 68 ASN HB3 . 15046 1 850 . 1 1 76 76 ASN HD21 H 1 7.436 0.020 . 2 . . . . 68 ASN HD21 . 15046 1 851 . 1 1 76 76 ASN HD22 H 1 6.595 0.020 . 2 . . . . 68 ASN HD22 . 15046 1 852 . 1 1 76 76 ASN C C 13 173.900 0.400 . 1 . . . . 68 ASN C . 15046 1 853 . 1 1 76 76 ASN CA C 13 52.920 0.400 . 1 . . . . 68 ASN CA . 15046 1 854 . 1 1 76 76 ASN CB C 13 36.180 0.400 . 1 . . . . 68 ASN CB . 15046 1 855 . 1 1 76 76 ASN N N 15 116.700 0.400 . 1 . . . . 68 ASN N . 15046 1 856 . 1 1 76 76 ASN ND2 N 15 110.800 0.400 . 1 . . . . 68 ASN ND2 . 15046 1 857 . 1 1 77 77 GLU H H 1 7.590 0.020 . 1 . . . . 69 GLU H . 15046 1 858 . 1 1 77 77 GLU HA H 1 4.210 0.020 . 1 . . . . 69 GLU HA . 15046 1 859 . 1 1 77 77 GLU HB2 H 1 1.840 0.020 . 2 . . . . 69 GLU HB2 . 15046 1 860 . 1 1 77 77 GLU HB3 H 1 2.023 0.020 . 2 . . . . 69 GLU HB3 . 15046 1 861 . 1 1 77 77 GLU HG2 H 1 2.180 0.020 . 2 . . . . 69 GLU HG2 . 15046 1 862 . 1 1 77 77 GLU HG3 H 1 2.367 0.020 . 2 . . . . 69 GLU HG3 . 15046 1 863 . 1 1 77 77 GLU C C 13 173.700 0.400 . 1 . . . . 69 GLU C . 15046 1 864 . 1 1 77 77 GLU CA C 13 53.160 0.400 . 1 . . . . 69 GLU CA . 15046 1 865 . 1 1 77 77 GLU CB C 13 27.730 0.400 . 1 . . . . 69 GLU CB . 15046 1 866 . 1 1 77 77 GLU CG C 13 33.710 0.400 . 1 . . . . 69 GLU CG . 15046 1 867 . 1 1 77 77 GLU N N 15 115.100 0.400 . 1 . . . . 69 GLU N . 15046 1 868 . 1 1 78 78 SER H H 1 7.110 0.020 . 1 . . . . 70 SER H . 15046 1 869 . 1 1 78 78 SER HB2 H 1 3.880 0.020 . 1 . . . . 70 SER HB2 . 15046 1 870 . 1 1 78 78 SER HB3 H 1 3.880 0.020 . 1 . . . . 70 SER HB3 . 15046 1 871 . 1 1 78 78 SER C C 13 172.700 0.400 . 1 . . . . 70 SER C . 15046 1 872 . 1 1 78 78 SER CA C 13 57.020 0.400 . 1 . . . . 70 SER CA . 15046 1 873 . 1 1 78 78 SER CB C 13 60.660 0.400 . 1 . . . . 70 SER CB . 15046 1 874 . 1 1 78 78 SER N N 15 114.900 0.400 . 1 . . . . 70 SER N . 15046 1 875 . 1 1 79 79 VAL H H 1 8.515 0.020 . 1 . . . . 71 VAL H . 15046 1 876 . 1 1 79 79 VAL HA H 1 4.150 0.020 . 1 . . . . 71 VAL HA . 15046 1 877 . 1 1 79 79 VAL HB H 1 1.970 0.020 . 1 . . . . 71 VAL HB . 15046 1 878 . 1 1 79 79 VAL HG11 H 1 0.840 0.020 . 2 . . . . 71 VAL HG1 . 15046 1 879 . 1 1 79 79 VAL HG12 H 1 0.840 0.020 . 2 . . . . 71 VAL HG1 . 15046 1 880 . 1 1 79 79 VAL HG13 H 1 0.840 0.020 . 2 . . . . 71 VAL HG1 . 15046 1 881 . 1 1 79 79 VAL HG21 H 1 0.840 0.020 . 2 . . . . 71 VAL HG2 . 15046 1 882 . 1 1 79 79 VAL HG22 H 1 0.840 0.020 . 2 . . . . 71 VAL HG2 . 15046 1 883 . 1 1 79 79 VAL HG23 H 1 0.840 0.020 . 2 . . . . 71 VAL HG2 . 15046 1 884 . 1 1 79 79 VAL C C 13 173.100 0.400 . 1 . . . . 71 VAL C . 15046 1 885 . 1 1 79 79 VAL CA C 13 59.950 0.400 . 1 . . . . 71 VAL CA . 15046 1 886 . 1 1 79 79 VAL CB C 13 29.910 0.400 . 1 . . . . 71 VAL CB . 15046 1 887 . 1 1 79 79 VAL CG1 C 13 18.490 0.400 . 1 . . . . 71 VAL CG1 . 15046 1 888 . 1 1 79 79 VAL CG2 C 13 17.730 0.400 . 1 . . . . 71 VAL CG2 . 15046 1 889 . 1 1 79 79 VAL N N 15 125.300 0.400 . 1 . . . . 71 VAL N . 15046 1 890 . 1 1 80 80 GLN H H 1 7.486 0.020 . 1 . . . . 72 GLN H . 15046 1 891 . 1 1 80 80 GLN HA H 1 4.505 0.020 . 1 . . . . 72 GLN HA . 15046 1 892 . 1 1 80 80 GLN HB2 H 1 1.860 0.020 . 2 . . . . 72 GLN HB2 . 15046 1 893 . 1 1 80 80 GLN HB3 H 1 1.972 0.020 . 2 . . . . 72 GLN HB3 . 15046 1 894 . 1 1 80 80 GLN HG2 H 1 2.162 0.020 . 2 . . . . 72 GLN HG2 . 15046 1 895 . 1 1 80 80 GLN HG3 H 1 2.107 0.020 . 2 . . . . 72 GLN HG3 . 15046 1 896 . 1 1 80 80 GLN HE21 H 1 7.582 0.020 . 2 . . . . 72 GLN HE21 . 15046 1 897 . 1 1 80 80 GLN HE22 H 1 6.835 0.020 . 2 . . . . 72 GLN HE22 . 15046 1 898 . 1 1 80 80 GLN C C 13 169.300 0.400 . 1 . . . . 72 GLN C . 15046 1 899 . 1 1 80 80 GLN CA C 13 50.750 0.400 . 1 . . . . 72 GLN CA . 15046 1 900 . 1 1 80 80 GLN CB C 13 27.080 0.400 . 1 . . . . 72 GLN CB . 15046 1 901 . 1 1 80 80 GLN CG C 13 31.180 0.400 . 1 . . . . 72 GLN CG . 15046 1 902 . 1 1 80 80 GLN N N 15 121.200 0.400 . 1 . . . . 72 GLN N . 15046 1 903 . 1 1 80 80 GLN NE2 N 15 113.200 0.400 . 1 . . . . 72 GLN NE2 . 15046 1 904 . 1 1 81 81 PRO HA H 1 4.535 0.020 . 1 . . . . 73 PRO HA . 15046 1 905 . 1 1 81 81 PRO HB2 H 1 1.395 0.020 . 2 . . . . 73 PRO HB2 . 15046 1 906 . 1 1 81 81 PRO HB3 H 1 1.318 0.020 . 2 . . . . 73 PRO HB3 . 15046 1 907 . 1 1 81 81 PRO HG2 H 1 1.924 0.020 . 2 . . . . 73 PRO HG2 . 15046 1 908 . 1 1 81 81 PRO HG3 H 1 1.458 0.020 . 2 . . . . 73 PRO HG3 . 15046 1 909 . 1 1 81 81 PRO HD2 H 1 3.461 0.020 . 2 . . . . 73 PRO HD2 . 15046 1 910 . 1 1 81 81 PRO HD3 H 1 3.561 0.020 . 2 . . . . 73 PRO HD3 . 15046 1 911 . 1 1 81 81 PRO C C 13 173.300 0.400 . 1 . . . . 73 PRO C . 15046 1 912 . 1 1 81 81 PRO CA C 13 60.050 0.400 . 1 . . . . 73 PRO CA . 15046 1 913 . 1 1 81 81 PRO CB C 13 31.530 0.400 . 1 . . . . 73 PRO CB . 15046 1 914 . 1 1 81 81 PRO CG C 13 26.59 0.400 . 1 . . . . 73 PRO CG . 15046 1 915 . 1 1 81 81 PRO CD C 13 47.280 0.400 . 1 . . . . 73 PRO CD . 15046 1 916 . 1 1 82 82 THR H H 1 7.944 0.020 . 1 . . . . 74 THR H . 15046 1 917 . 1 1 82 82 THR HA H 1 4.191 0.020 . 1 . . . . 74 THR HA . 15046 1 918 . 1 1 82 82 THR HB H 1 3.924 0.020 . 1 . . . . 74 THR HB . 15046 1 919 . 1 1 82 82 THR HG21 H 1 1.051 0.020 . 1 . . . . 74 THR HG2 . 15046 1 920 . 1 1 82 82 THR HG22 H 1 1.051 0.020 . 1 . . . . 74 THR HG2 . 15046 1 921 . 1 1 82 82 THR HG23 H 1 1.051 0.020 . 1 . . . . 74 THR HG2 . 15046 1 922 . 1 1 82 82 THR C C 13 170.400 0.400 . 1 . . . . 74 THR C . 15046 1 923 . 1 1 82 82 THR CA C 13 60.240 0.400 . 1 . . . . 74 THR CA . 15046 1 924 . 1 1 82 82 THR CB C 13 68.140 0.400 . 1 . . . . 74 THR CB . 15046 1 925 . 1 1 82 82 THR CG2 C 13 18.870 0.400 . 1 . . . . 74 THR CG2 . 15046 1 926 . 1 1 82 82 THR N N 15 116.900 0.400 . 1 . . . . 74 THR N . 15046 1 927 . 1 1 83 83 VAL H H 1 8.812 0.020 . 1 . . . . 75 VAL H . 15046 1 928 . 1 1 83 83 VAL HA H 1 4.755 0.020 . 1 . . . . 75 VAL HA . 15046 1 929 . 1 1 83 83 VAL HB H 1 1.845 0.020 . 1 . . . . 75 VAL HB . 15046 1 930 . 1 1 83 83 VAL HG11 H 1 0.661 0.020 . 2 . . . . 75 VAL HG1 . 15046 1 931 . 1 1 83 83 VAL HG12 H 1 0.661 0.020 . 2 . . . . 75 VAL HG1 . 15046 1 932 . 1 1 83 83 VAL HG13 H 1 0.661 0.020 . 2 . . . . 75 VAL HG1 . 15046 1 933 . 1 1 83 83 VAL HG21 H 1 0.818 0.020 . 2 . . . . 75 VAL HG2 . 15046 1 934 . 1 1 83 83 VAL HG22 H 1 0.818 0.020 . 2 . . . . 75 VAL HG2 . 15046 1 935 . 1 1 83 83 VAL HG23 H 1 0.818 0.020 . 2 . . . . 75 VAL HG2 . 15046 1 936 . 1 1 83 83 VAL C C 13 172.600 0.400 . 1 . . . . 75 VAL C . 15046 1 937 . 1 1 83 83 VAL CA C 13 58.970 0.400 . 1 . . . . 75 VAL CA . 15046 1 938 . 1 1 83 83 VAL CB C 13 29.480 0.400 . 1 . . . . 75 VAL CB . 15046 1 939 . 1 1 83 83 VAL CG1 C 13 20.890 0.400 . 1 . . . . 75 VAL CG1 . 15046 1 940 . 1 1 83 83 VAL CG2 C 13 17.460 0.400 . 1 . . . . 75 VAL CG2 . 15046 1 941 . 1 1 83 83 VAL N N 15 129.100 0.400 . 1 . . . . 75 VAL N . 15046 1 942 . 1 1 84 84 VAL H H 1 9.166 0.020 . 1 . . . . 76 VAL H . 15046 1 943 . 1 1 84 84 VAL HA H 1 4.023 0.020 . 1 . . . . 76 VAL HA . 15046 1 944 . 1 1 84 84 VAL HB H 1 1.802 0.020 . 1 . . . . 76 VAL HB . 15046 1 945 . 1 1 84 84 VAL HG11 H 1 0.700 0.020 . 2 . . . . 76 VAL HG1 . 15046 1 946 . 1 1 84 84 VAL HG12 H 1 0.700 0.020 . 2 . . . . 76 VAL HG1 . 15046 1 947 . 1 1 84 84 VAL HG13 H 1 0.700 0.020 . 2 . . . . 76 VAL HG1 . 15046 1 948 . 1 1 84 84 VAL HG21 H 1 0.710 0.020 . 2 . . . . 76 VAL HG2 . 15046 1 949 . 1 1 84 84 VAL HG22 H 1 0.710 0.020 . 2 . . . . 76 VAL HG2 . 15046 1 950 . 1 1 84 84 VAL HG23 H 1 0.710 0.020 . 2 . . . . 76 VAL HG2 . 15046 1 951 . 1 1 84 84 VAL C C 13 169.600 0.400 . 1 . . . . 76 VAL C . 15046 1 952 . 1 1 84 84 VAL CA C 13 58.750 0.400 . 1 . . . . 76 VAL CA . 15046 1 953 . 1 1 84 84 VAL CB C 13 30.790 0.400 . 1 . . . . 76 VAL CB . 15046 1 954 . 1 1 84 84 VAL CG1 C 13 19.870 0.400 . 1 . . . . 76 VAL CG1 . 15046 1 955 . 1 1 84 84 VAL CG2 C 13 18.590 0.400 . 1 . . . . 76 VAL CG2 . 15046 1 956 . 1 1 84 84 VAL N N 15 130.500 0.400 . 1 . . . . 76 VAL N . 15046 1 957 . 1 1 85 85 ALA H H 1 8.203 0.020 . 1 . . . . 77 ALA H . 15046 1 958 . 1 1 85 85 ALA HA H 1 4.978 0.020 . 1 . . . . 77 ALA HA . 15046 1 959 . 1 1 85 85 ALA HB1 H 1 1.029 0.020 . 1 . . . . 77 ALA HB . 15046 1 960 . 1 1 85 85 ALA HB2 H 1 1.029 0.020 . 1 . . . . 77 ALA HB . 15046 1 961 . 1 1 85 85 ALA HB3 H 1 1.029 0.020 . 1 . . . . 77 ALA HB . 15046 1 962 . 1 1 85 85 ALA C C 13 174.500 0.400 . 1 . . . . 77 ALA C . 15046 1 963 . 1 1 85 85 ALA CA C 13 46.810 0.400 . 1 . . . . 77 ALA CA . 15046 1 964 . 1 1 85 85 ALA CB C 13 17.720 0.400 . 1 . . . . 77 ALA CB . 15046 1 965 . 1 1 85 85 ALA N N 15 128.700 0.400 . 1 . . . . 77 ALA N . 15046 1 966 . 1 1 86 86 LEU H H 1 8.877 0.020 . 1 . . . . 78 LEU H . 15046 1 967 . 1 1 86 86 LEU HA H 1 4.583 0.020 . 1 . . . . 78 LEU HA . 15046 1 968 . 1 1 86 86 LEU HB2 H 1 1.691 0.020 . 2 . . . . 78 LEU HB2 . 15046 1 969 . 1 1 86 86 LEU HB3 H 1 1.689 0.020 . 2 . . . . 78 LEU HB3 . 15046 1 970 . 1 1 86 86 LEU HD11 H 1 0.790 0.020 . 2 . . . . 78 LEU HD1 . 15046 1 971 . 1 1 86 86 LEU HD12 H 1 0.790 0.020 . 2 . . . . 78 LEU HD1 . 15046 1 972 . 1 1 86 86 LEU HD13 H 1 0.790 0.020 . 2 . . . . 78 LEU HD1 . 15046 1 973 . 1 1 86 86 LEU HD21 H 1 0.958 0.020 . 2 . . . . 78 LEU HD2 . 15046 1 974 . 1 1 86 86 LEU HD22 H 1 0.958 0.020 . 2 . . . . 78 LEU HD2 . 15046 1 975 . 1 1 86 86 LEU HD23 H 1 0.958 0.020 . 2 . . . . 78 LEU HD2 . 15046 1 976 . 1 1 86 86 LEU C C 13 173.500 0.400 . 1 . . . . 78 LEU C . 15046 1 977 . 1 1 86 86 LEU CA C 13 50.780 0.400 . 1 . . . . 78 LEU CA . 15046 1 978 . 1 1 86 86 LEU CB C 13 38.950 0.400 . 1 . . . . 78 LEU CB . 15046 1 979 . 1 1 86 86 LEU CD1 C 13 23.650 0.400 . 1 . . . . 78 LEU CD1 . 15046 1 980 . 1 1 86 86 LEU CD2 C 13 20.890 0.400 . 1 . . . . 78 LEU CD2 . 15046 1 981 . 1 1 86 86 LEU N N 15 123.400 0.400 . 1 . . . . 78 LEU N . 15046 1 982 . 1 1 87 87 GLY H H 1 8.250 0.020 . 1 . . . . 79 GLY H . 15046 1 983 . 1 1 87 87 GLY HA2 H 1 3.650 0.020 . 2 . . . . 79 GLY HA2 . 15046 1 984 . 1 1 87 87 GLY HA3 H 1 3.790 0.020 . 2 . . . . 79 GLY HA3 . 15046 1 985 . 1 1 87 87 GLY C C 13 172.000 0.400 . 1 . . . . 79 GLY C . 15046 1 986 . 1 1 87 87 GLY CA C 13 41.750 0.400 . 1 . . . . 79 GLY CA . 15046 1 987 . 1 1 87 87 GLY N N 15 106.700 0.400 . 1 . . . . 79 GLY N . 15046 1 988 . 1 1 88 88 GLY H H 1 8.227 0.020 . 1 . . . . 80 GLY H . 15046 1 989 . 1 1 88 88 GLY HA2 H 1 3.994 0.020 . 2 . . . . 80 GLY HA2 . 15046 1 990 . 1 1 88 88 GLY HA3 H 1 3.990 0.020 . 2 . . . . 80 GLY HA3 . 15046 1 991 . 1 1 88 88 GLY C C 13 171.400 0.400 . 1 . . . . 80 GLY C . 15046 1 992 . 1 1 88 88 GLY CA C 13 42.220 0.400 . 1 . . . . 80 GLY CA . 15046 1 993 . 1 1 88 88 GLY N N 15 107.600 0.400 . 1 . . . . 80 GLY N . 15046 1 994 . 1 1 89 89 SER H H 1 8.460 0.020 . 1 . . . . 81 SER H . 15046 1 995 . 1 1 89 89 SER HA H 1 4.370 0.020 . 1 . . . . 81 SER HA . 15046 1 996 . 1 1 89 89 SER HB2 H 1 3.995 0.020 . 2 . . . . 81 SER HB2 . 15046 1 997 . 1 1 89 89 SER HB3 H 1 3.907 0.020 . 2 . . . . 81 SER HB3 . 15046 1 998 . 1 1 89 89 SER C C 13 172.600 0.400 . 1 . . . . 81 SER C . 15046 1 999 . 1 1 89 89 SER CA C 13 55.880 0.400 . 1 . . . . 81 SER CA . 15046 1 1000 . 1 1 89 89 SER CB C 13 61.190 0.400 . 1 . . . . 81 SER CB . 15046 1 1001 . 1 1 89 89 SER N N 15 115.400 0.400 . 1 . . . . 81 SER N . 15046 1 1002 . 1 1 90 90 GLY H H 1 8.515 0.020 . 1 . . . . 82 GLY H . 15046 1 1003 . 1 1 90 90 GLY HA2 H 1 4.680 0.020 . 1 . . . . 82 GLY HA2 . 15046 1 1004 . 1 1 90 90 GLY HA3 H 1 4.680 0.020 . 1 . . . . 82 GLY HA3 . 15046 1 1005 . 1 1 90 90 GLY C C 13 171.600 0.400 . 1 . . . . 82 GLY C . 15046 1 1006 . 1 1 90 90 GLY CA C 13 42.800 0.400 . 1 . . . . 82 GLY CA . 15046 1 1007 . 1 1 90 90 GLY N N 15 110.900 0.400 . 1 . . . . 82 GLY N . 15046 1 1008 . 1 1 91 91 SER H H 1 8.161 0.020 . 1 . . . . 83 SER H . 15046 1 1009 . 1 1 91 91 SER HA H 1 4.670 0.020 . 1 . . . . 83 SER HA . 15046 1 1010 . 1 1 91 91 SER HB2 H 1 3.850 0.020 . 1 . . . . 83 SER HB2 . 15046 1 1011 . 1 1 91 91 SER HB3 H 1 3.850 0.020 . 1 . . . . 83 SER HB3 . 15046 1 1012 . 1 1 91 91 SER CA C 13 55.930 0.400 . 1 . . . . 83 SER CA . 15046 1 1013 . 1 1 91 91 SER CB C 13 60.920 0.400 . 1 . . . . 83 SER CB . 15046 1 1014 . 1 1 91 91 SER N N 15 115.500 0.400 . 1 . . . . 83 SER N . 15046 1 1015 . 1 1 93 93 SER HA H 1 4.318 0.020 . 1 . . . . 85 SER HA . 15046 1 1016 . 1 1 93 93 SER HB2 H 1 3.937 0.020 . 1 . . . . 85 SER HB2 . 15046 1 1017 . 1 1 93 93 SER HB3 H 1 3.937 0.020 . 1 . . . . 85 SER HB3 . 15046 1 1018 . 1 1 93 93 SER CA C 13 55.880 0.400 . 1 . . . . 85 SER CA . 15046 1 1019 . 1 1 93 93 SER CB C 13 61.140 0.400 . 1 . . . . 85 SER CB . 15046 1 1020 . 1 1 94 94 THR H H 1 8.172 0.020 . 1 . . . . 86 THR H . 15046 1 1021 . 1 1 94 94 THR HA H 1 4.027 0.020 . 1 . . . . 86 THR HA . 15046 1 1022 . 1 1 94 94 THR HB H 1 3.807 0.020 . 1 . . . . 86 THR HB . 15046 1 1023 . 1 1 94 94 THR CA C 13 59.470 0.400 . 1 . . . . 86 THR CA . 15046 1 1024 . 1 1 94 94 THR CB C 13 66.820 0.400 . 1 . . . . 86 THR CB . 15046 1 1025 . 1 1 94 94 THR N N 15 115.500 0.400 . 1 . . . . 86 THR N . 15046 1 1026 . 1 1 95 95 SER H H 1 8.172 0.020 . 1 . . . . 87 SER H . 15046 1 1027 . 1 1 95 95 SER HA H 1 4.320 0.020 . 1 . . . . 87 SER HA . 15046 1 1028 . 1 1 95 95 SER HB2 H 1 3.930 0.020 . 1 . . . . 87 SER HB2 . 15046 1 1029 . 1 1 95 95 SER HB3 H 1 3.930 0.020 . 1 . . . . 87 SER HB3 . 15046 1 1030 . 1 1 95 95 SER C C 13 171.700 0.400 . 1 . . . . 87 SER C . 15046 1 1031 . 1 1 95 95 SER CA C 13 55.890 0.400 . 1 . . . . 87 SER CA . 15046 1 1032 . 1 1 95 95 SER CB C 13 61.000 0.400 . 1 . . . . 87 SER CB . 15046 1 1033 . 1 1 95 95 SER N N 15 123.600 0.400 . 1 . . . . 87 SER N . 15046 1 1034 . 1 1 96 96 LEU H H 1 8.135 0.020 . 1 . . . . 88 LEU H . 15046 1 1035 . 1 1 96 96 LEU HA H 1 4.660 0.020 . 1 . . . . 88 LEU HA . 15046 1 1036 . 1 1 96 96 LEU HB2 H 1 1.520 0.020 . 1 . . . . 88 LEU HB2 . 15046 1 1037 . 1 1 96 96 LEU HB3 H 1 1.520 0.020 . 1 . . . . 88 LEU HB3 . 15046 1 1038 . 1 1 96 96 LEU C C 13 174.100 0.400 . 1 . . . . 88 LEU C . 15046 1 1039 . 1 1 96 96 LEU CA C 13 52.030 0.400 . 1 . . . . 88 LEU CA . 15046 1 1040 . 1 1 96 96 LEU CB C 13 39.360 0.400 . 1 . . . . 88 LEU CB . 15046 1 1041 . 1 1 96 96 LEU CG C 13 23.990 0.400 . 1 . . . . 88 LEU CG . 15046 1 1042 . 1 1 96 96 LEU CD1 C 13 22.220 0.400 . 1 . . . . 88 LEU CD1 . 15046 1 1043 . 1 1 96 96 LEU CD2 C 13 20.580 0.400 . 1 . . . . 88 LEU CD2 . 15046 1 1044 . 1 1 96 96 LEU N N 15 123.700 0.400 . 1 . . . . 88 LEU N . 15046 1 1045 . 1 1 97 97 ARG H H 1 7.920 0.020 . 1 . . . . 89 ARG H . 15046 1 1046 . 1 1 97 97 ARG C C 13 172.200 0.400 . 1 . . . . 89 ARG C . 15046 1 1047 . 1 1 97 97 ARG CA C 13 53.860 0.400 . 1 . . . . 89 ARG CA . 15046 1 1048 . 1 1 97 97 ARG CB C 13 26.540 0.400 . 1 . . . . 89 ARG CB . 15046 1 1049 . 1 1 97 97 ARG N N 15 120.700 0.400 . 1 . . . . 89 ARG N . 15046 1 1050 . 1 1 98 98 GLU HA H 1 4.089 0.020 . 1 . . . . 90 GLU HA . 15046 1 1051 . 1 1 98 98 GLU HB2 H 1 1.915 0.020 . 2 . . . . 90 GLU HB2 . 15046 1 1052 . 1 1 98 98 GLU HB3 H 1 1.910 0.020 . 2 . . . . 90 GLU HB3 . 15046 1 1053 . 1 1 98 98 GLU HG2 H 1 2.128 0.020 . 2 . . . . 90 GLU HG2 . 15046 1 1054 . 1 1 98 98 GLU HG3 H 1 1.968 0.020 . 2 . . . . 90 GLU HG3 . 15046 1 1055 . 1 1 98 98 GLU CA C 13 56.450 0.400 . 1 . . . . 90 GLU CA . 15046 1 1056 . 1 1 98 98 GLU CB C 13 27.280 0.400 . 1 . . . . 90 GLU CB . 15046 1 1057 . 1 1 98 98 GLU CG C 13 33.320 0.400 . 1 . . . . 90 GLU CG . 15046 1 1058 . 1 1 99 99 LYS H H 1 7.848 0.020 . 1 . . . . 91 LYS H . 15046 1 1059 . 1 1 99 99 LYS HA H 1 4.040 0.020 . 1 . . . . 91 LYS HA . 15046 1 1060 . 1 1 99 99 LYS HB2 H 1 1.740 0.020 . 1 . . . . 91 LYS HB2 . 15046 1 1061 . 1 1 99 99 LYS HB3 H 1 1.740 0.020 . 1 . . . . 91 LYS HB3 . 15046 1 1062 . 1 1 99 99 LYS HE2 H 1 3.040 0.020 . 2 . . . . 91 LYS HE2 . 15046 1 1063 . 1 1 99 99 LYS HE3 H 1 3.048 0.020 . 2 . . . . 91 LYS HE3 . 15046 1 1064 . 1 1 99 99 LYS C C 13 176.300 0.400 . 1 . . . . 91 LYS C . 15046 1 1065 . 1 1 99 99 LYS CA C 13 54.240 0.400 . 1 . . . . 91 LYS CA . 15046 1 1066 . 1 1 99 99 LYS CB C 13 29.730 0.400 . 1 . . . . 91 LYS CB . 15046 1 1067 . 1 1 99 99 LYS N N 15 120.400 0.400 . 1 . . . . 91 LYS N . 15046 1 1068 . 1 1 100 100 ILE H H 1 7.660 0.020 . 1 . . . . 92 ILE H . 15046 1 1069 . 1 1 100 100 ILE HA H 1 3.724 0.020 . 1 . . . . 92 ILE HA . 15046 1 1070 . 1 1 100 100 ILE HB H 1 1.829 0.020 . 1 . . . . 92 ILE HB . 15046 1 1071 . 1 1 100 100 ILE HG21 H 1 1.380 0.020 . 1 . . . . 92 ILE HG2 . 15046 1 1072 . 1 1 100 100 ILE HG22 H 1 1.380 0.020 . 1 . . . . 92 ILE HG2 . 15046 1 1073 . 1 1 100 100 ILE HG23 H 1 1.380 0.020 . 1 . . . . 92 ILE HG2 . 15046 1 1074 . 1 1 100 100 ILE HD11 H 1 0.690 0.020 . 1 . . . . 92 ILE HD1 . 15046 1 1075 . 1 1 100 100 ILE HD12 H 1 0.690 0.020 . 1 . . . . 92 ILE HD1 . 15046 1 1076 . 1 1 100 100 ILE HD13 H 1 0.690 0.020 . 1 . . . . 92 ILE HD1 . 15046 1 1077 . 1 1 100 100 ILE C C 13 173.600 0.400 . 1 . . . . 92 ILE C . 15046 1 1078 . 1 1 100 100 ILE CA C 13 59.600 0.400 . 1 . . . . 92 ILE CA . 15046 1 1079 . 1 1 100 100 ILE CB C 13 39.520 0.400 . 1 . . . . 92 ILE CB . 15046 1 1080 . 1 1 100 100 ILE N N 15 113.600 0.400 . 1 . . . . 92 ILE N . 15046 1 1081 . 1 1 101 101 LYS H H 1 8.048 0.020 . 1 . . . . 93 LYS H . 15046 1 1082 . 1 1 101 101 LYS HA H 1 3.713 0.020 . 1 . . . . 93 LYS HA . 15046 1 1083 . 1 1 101 101 LYS HE2 H 1 2.980 0.020 . 1 . . . . 93 LYS HE2 . 15046 1 1084 . 1 1 101 101 LYS HE3 H 1 2.980 0.020 . 1 . . . . 93 LYS HE3 . 15046 1 1085 . 1 1 101 101 LYS C C 13 175.100 0.400 . 1 . . . . 93 LYS C . 15046 1 1086 . 1 1 101 101 LYS CA C 13 58.43 0.400 . 1 . . . . 93 LYS CA . 15046 1 1087 . 1 1 101 101 LYS CB C 13 27.740 0.400 . 1 . . . . 93 LYS CB . 15046 1 1088 . 1 1 101 101 LYS N N 15 122.700 0.400 . 1 . . . . 93 LYS N . 15046 1 1089 . 1 1 102 102 GLN H H 1 8.330 0.020 . 1 . . . . 94 GLN H . 15046 1 1090 . 1 1 102 102 GLN HA H 1 3.890 0.020 . 1 . . . . 94 GLN HA . 15046 1 1091 . 1 1 102 102 GLN HG2 H 1 2.136 0.020 . 2 . . . . 94 GLN HG2 . 15046 1 1092 . 1 1 102 102 GLN HG3 H 1 2.448 0.020 . 2 . . . . 94 GLN HG3 . 15046 1 1093 . 1 1 102 102 GLN HE21 H 1 7.500 0.020 . 2 . . . . 94 GLN HE21 . 15046 1 1094 . 1 1 102 102 GLN HE22 H 1 6.720 0.020 . 2 . . . . 94 GLN HE22 . 15046 1 1095 . 1 1 102 102 GLN CA C 13 55.640 0.400 . 1 . . . . 94 GLN CA . 15046 1 1096 . 1 1 102 102 GLN CB C 13 25.950 0.400 . 1 . . . . 94 GLN CB . 15046 1 1097 . 1 1 102 102 GLN N N 15 119.300 0.400 . 1 . . . . 94 GLN N . 15046 1 1098 . 1 1 102 102 GLN NE2 N 15 111.600 0.400 . 1 . . . . 94 GLN NE2 . 15046 1 1099 . 1 1 103 103 ALA H H 1 7.886 0.020 . 1 . . . . 95 ALA H . 15046 1 1100 . 1 1 103 103 ALA HA H 1 4.172 0.020 . 1 . . . . 95 ALA HA . 15046 1 1101 . 1 1 103 103 ALA CA C 13 52.040 0.400 . 1 . . . . 95 ALA CA . 15046 1 1102 . 1 1 103 103 ALA CB C 13 16.970 0.400 . 1 . . . . 95 ALA CB . 15046 1 1103 . 1 1 103 103 ALA N N 15 119.800 0.400 . 1 . . . . 95 ALA N . 15046 1 1104 . 1 1 104 104 VAL HA H 1 4.271 0.020 . 1 . . . . 96 VAL HA . 15046 1 1105 . 1 1 104 104 VAL HB H 1 2.215 0.020 . 1 . . . . 96 VAL HB . 15046 1 1106 . 1 1 104 104 VAL HG11 H 1 0.853 0.020 . 2 . . . . 96 VAL HG1 . 15046 1 1107 . 1 1 104 104 VAL HG12 H 1 0.853 0.020 . 2 . . . . 96 VAL HG1 . 15046 1 1108 . 1 1 104 104 VAL HG13 H 1 0.853 0.020 . 2 . . . . 96 VAL HG1 . 15046 1 1109 . 1 1 104 104 VAL HG21 H 1 0.796 0.020 . 2 . . . . 96 VAL HG2 . 15046 1 1110 . 1 1 104 104 VAL HG22 H 1 0.796 0.020 . 2 . . . . 96 VAL HG2 . 15046 1 1111 . 1 1 104 104 VAL HG23 H 1 0.796 0.020 . 2 . . . . 96 VAL HG2 . 15046 1 1112 . 1 1 104 104 VAL C C 13 174.000 0.400 . 1 . . . . 96 VAL C . 15046 1 1113 . 1 1 104 104 VAL CA C 13 59.020 0.400 . 1 . . . . 96 VAL CA . 15046 1 1114 . 1 1 104 104 VAL CB C 13 30.650 0.400 . 1 . . . . 96 VAL CB . 15046 1 1115 . 1 1 104 104 VAL CG1 C 13 18.820 0.400 . 1 . . . . 96 VAL CG1 . 15046 1 1116 . 1 1 104 104 VAL CG2 C 13 18.420 0.400 . 1 . . . . 96 VAL CG2 . 15046 1 1117 . 1 1 104 104 VAL N N 15 110.300 0.400 . 1 . . . . 96 VAL N . 15046 1 1118 . 1 1 105 105 GLY H H 1 7.864 0.020 . 1 . . . . 97 GLY H . 15046 1 1119 . 1 1 105 105 GLY HA2 H 1 3.717 0.020 . 2 . . . . 97 GLY HA2 . 15046 1 1120 . 1 1 105 105 GLY HA3 H 1 4.048 0.020 . 2 . . . . 97 GLY HA3 . 15046 1 1121 . 1 1 105 105 GLY C C 13 171.200 0.400 . 1 . . . . 97 GLY C . 15046 1 1122 . 1 1 105 105 GLY CA C 13 42.490 0.400 . 1 . . . . 97 GLY CA . 15046 1 1123 . 1 1 105 105 GLY N N 15 108.900 0.400 . 1 . . . . 97 GLY N . 15046 1 1124 . 1 1 106 106 VAL H H 1 7.966 0.020 . 1 . . . . 98 VAL H . 15046 1 1125 . 1 1 106 106 VAL HA H 1 4.170 0.020 . 1 . . . . 98 VAL HA . 15046 1 1126 . 1 1 106 106 VAL C C 13 172.800 0.400 . 1 . . . . 98 VAL C . 15046 1 1127 . 1 1 106 106 VAL CA C 13 59.360 0.400 . 1 . . . . 98 VAL CA . 15046 1 1128 . 1 1 106 106 VAL CB C 13 29.830 0.400 . 1 . . . . 98 VAL CB . 15046 1 1129 . 1 1 106 106 VAL N N 15 118.500 0.400 . 1 . . . . 98 VAL N . 15046 1 1130 . 1 1 107 107 ASP H H 1 7.714 0.020 . 1 . . . . 99 ASP H . 15046 1 1131 . 1 1 107 107 ASP HA H 1 4.649 0.020 . 1 . . . . 99 ASP HA . 15046 1 1132 . 1 1 107 107 ASP HB2 H 1 2.304 0.020 . 2 . . . . 99 ASP HB2 . 15046 1 1133 . 1 1 107 107 ASP HB3 H 1 2.614 0.020 . 2 . . . . 99 ASP HB3 . 15046 1 1134 . 1 1 107 107 ASP C C 13 173.100 0.400 . 1 . . . . 99 ASP C . 15046 1 1135 . 1 1 107 107 ASP CA C 13 51.630 0.400 . 1 . . . . 99 ASP CA . 15046 1 1136 . 1 1 107 107 ASP CB C 13 38.600 0.400 . 1 . . . . 99 ASP CB . 15046 1 1137 . 1 1 107 107 ASP N N 15 122.600 0.400 . 1 . . . . 99 ASP N . 15046 1 1138 . 1 1 108 108 LEU H H 1 7.832 0.020 . 1 . . . . 100 LEU H . 15046 1 1139 . 1 1 108 108 LEU HA H 1 4.022 0.020 . 1 . . . . 100 LEU HA . 15046 1 1140 . 1 1 108 108 LEU HB2 H 1 0.994 0.020 . 2 . . . . 100 LEU HB2 . 15046 1 1141 . 1 1 108 108 LEU HB3 H 1 1.282 0.020 . 2 . . . . 100 LEU HB3 . 15046 1 1142 . 1 1 108 108 LEU HG H 1 0.874 0.020 . 1 . . . . 100 LEU HG . 15046 1 1143 . 1 1 108 108 LEU HD11 H 1 0.503 0.020 . 2 . . . . 100 LEU HD1 . 15046 1 1144 . 1 1 108 108 LEU HD12 H 1 0.503 0.020 . 2 . . . . 100 LEU HD1 . 15046 1 1145 . 1 1 108 108 LEU HD13 H 1 0.503 0.020 . 2 . . . . 100 LEU HD1 . 15046 1 1146 . 1 1 108 108 LEU HD21 H 1 1.097 0.020 . 2 . . . . 100 LEU HD2 . 15046 1 1147 . 1 1 108 108 LEU HD22 H 1 1.097 0.020 . 2 . . . . 100 LEU HD2 . 15046 1 1148 . 1 1 108 108 LEU HD23 H 1 1.097 0.020 . 2 . . . . 100 LEU HD2 . 15046 1 1149 . 1 1 108 108 LEU C C 13 173.400 0.400 . 1 . . . . 100 LEU C . 15046 1 1150 . 1 1 108 108 LEU CA C 13 52.680 0.400 . 1 . . . . 100 LEU CA . 15046 1 1151 . 1 1 108 108 LEU CB C 13 39.240 0.400 . 1 . . . . 100 LEU CB . 15046 1 1152 . 1 1 108 108 LEU CG C 13 28.650 0.400 . 1 . . . . 100 LEU CG . 15046 1 1153 . 1 1 108 108 LEU CD1 C 13 23.080 0.400 . 1 . . . . 100 LEU CD1 . 15046 1 1154 . 1 1 108 108 LEU CD2 C 13 21.470 0.400 . 1 . . . . 100 LEU CD2 . 15046 1 1155 . 1 1 108 108 LEU N N 15 122.600 0.400 . 1 . . . . 100 LEU N . 15046 1 1156 . 1 1 109 109 TRP H H 1 7.924 0.020 . 1 . . . . 101 TRP H . 15046 1 1157 . 1 1 109 109 TRP HA H 1 4.534 0.020 . 1 . . . . 101 TRP HA . 15046 1 1158 . 1 1 109 109 TRP HB2 H 1 2.991 0.020 . 2 . . . . 101 TRP HB2 . 15046 1 1159 . 1 1 109 109 TRP HB3 H 1 3.266 0.020 . 2 . . . . 101 TRP HB3 . 15046 1 1160 . 1 1 109 109 TRP HE1 H 1 9.985 0.020 . 1 . . . . 101 TRP HE1 . 15046 1 1161 . 1 1 109 109 TRP HE3 H 1 7.497 0.020 . 1 . . . . 101 TRP HE3 . 15046 1 1162 . 1 1 109 109 TRP HZ2 H 1 7.540 0.020 . 1 . . . . 101 TRP HZ2 . 15046 1 1163 . 1 1 109 109 TRP HZ3 H 1 7.612 0.020 . 1 . . . . 101 TRP HZ3 . 15046 1 1164 . 1 1 109 109 TRP C C 13 171.600 0.400 . 1 . . . . 101 TRP C . 15046 1 1165 . 1 1 109 109 TRP CA C 13 55.370 0.400 . 1 . . . . 101 TRP CA . 15046 1 1166 . 1 1 109 109 TRP CB C 13 26.860 0.400 . 1 . . . . 101 TRP CB . 15046 1 1167 . 1 1 109 109 TRP N N 15 119.700 0.400 . 1 . . . . 101 TRP N . 15046 1 1168 . 1 1 109 109 TRP NE1 N 15 129.100 0.400 . 1 . . . . 101 TRP NE1 . 15046 1 1169 . 1 1 110 110 LYS H H 1 7.295 0.020 . 1 . . . . 102 LYS H . 15046 1 1170 . 1 1 110 110 LYS HA H 1 3.987 0.020 . 1 . . . . 102 LYS HA . 15046 1 1171 . 1 1 110 110 LYS HB2 H 1 1.645 0.020 . 2 . . . . 102 LYS HB2 . 15046 1 1172 . 1 1 110 110 LYS HB3 H 1 1.569 0.020 . 2 . . . . 102 LYS HB3 . 15046 1 1173 . 1 1 110 110 LYS HG2 H 1 1.210 0.020 . 1 . . . . 102 LYS HG2 . 15046 1 1174 . 1 1 110 110 LYS HG3 H 1 1.210 0.020 . 1 . . . . 102 LYS HG3 . 15046 1 1175 . 1 1 110 110 LYS C C 13 178.200 0.400 . 1 . . . . 102 LYS C . 15046 1 1176 . 1 1 110 110 LYS CA C 13 55.250 0.400 . 1 . . . . 102 LYS CA . 15046 1 1177 . 1 1 110 110 LYS CB C 13 30.750 0.400 . 1 . . . . 102 LYS CB . 15046 1 1178 . 1 1 110 110 LYS CE C 13 39.570 0.400 . 1 . . . . 102 LYS CE . 15046 1 1179 . 1 1 110 110 LYS N N 15 126.200 0.400 . 1 . . . . 102 LYS N . 15046 1 stop_ save_