data_19633 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19633 _Entry.Title ; Solution structure of a EF-hand domain from sea urchin polycystin-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-22 _Entry.Accession_date 2013-11-22 _Entry.Last_release_date 2014-04-11 _Entry.Original_release_date 2014-04-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Ivana Kuo . Y. . 19633 2 Camille Keeler . . . 19633 3 Rachel Corbin . . . 19633 4 Andjelka Celic . . . 19633 5 Edward Petri . T. . 19633 6 Michael Hodsdon . E. . 19633 7 Barbara Ehrlich . E. . 19633 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19633 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Calcium . 19633 Channel . 19633 EF-hand . 19633 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19633 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 386 19633 '15N chemical shifts' 104 19633 '1H chemical shifts' 596 19633 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-04-11 2013-11-22 original author . 19633 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MHH 'BMRB Entry Tracking System' 19633 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19633 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24558196 _Citation.Full_citation . _Citation.Title 'The number and location of EF hand motifs dictates the calcium dependence of polycystin-2 function.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FASEB J.' _Citation.Journal_name_full 'FASEB journal : official publication of the Federation of American Societies for Experimental Biology' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2014 _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 Ivana Kuo . Y. . 19633 1 2 Camille Keeler . . . 19633 1 3 Rachel Corbin . . . 19633 1 4 Andjelka Celic . . . 19633 1 5 Edward Petri . T. . 19633 1 6 Michael Hodsdon . E. . 19633 1 7 Barbara Ehrlich . E. . 19633 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19633 _Assembly.ID 1 _Assembly.Name 'EF-hand domain from sea urchin polycystin-2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'EF-hand domain from sea urchin polycystin-2' 1 $entity A . yes native no no . . . 19633 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19633 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGLVPRGSHMASKRDKIADI QEALAHADANADQHLDFDEW RQELKCRGHADADIEAVFAK YDVDGDRVLDAEEQMKMAHD LEGQKSDLNNQLAELE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10744.843 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MHH . "Solution Structure Of A Ef-hand Domain From Sea Urchin Polycystin-2" . . . . . 100.00 96 100.00 100.00 7.68e-61 . . . . 19633 1 2 no GB AAP35006 . "polycystic kidney disease protein 2 [Strongylocentrotus purpuratus]" . . . . . 87.50 907 100.00 100.00 7.71e-47 . . . . 19633 1 3 no REF NP_999827 . "polycystic kidney disease protein 2 [Strongylocentrotus purpuratus]" . . . . . 87.50 907 100.00 100.00 7.71e-47 . . . . 19633 1 4 no REF XP_011662382 . "PREDICTED: polycystic kidney disease protein 2 [Strongylocentrotus purpuratus]" . . . . . 87.50 907 100.00 100.00 7.05e-47 . . . . 19633 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 12 GLY . 19633 1 2 13 GLY . 19633 1 3 14 LEU . 19633 1 4 15 VAL . 19633 1 5 16 PRO . 19633 1 6 17 ARG . 19633 1 7 18 GLY . 19633 1 8 19 SER . 19633 1 9 20 HIS . 19633 1 10 21 MET . 19633 1 11 22 ALA . 19633 1 12 23 SER . 19633 1 13 24 LYS . 19633 1 14 25 ARG . 19633 1 15 26 ASP . 19633 1 16 27 LYS . 19633 1 17 28 ILE . 19633 1 18 29 ALA . 19633 1 19 30 ASP . 19633 1 20 31 ILE . 19633 1 21 32 GLN . 19633 1 22 33 GLU . 19633 1 23 34 ALA . 19633 1 24 35 LEU . 19633 1 25 36 ALA . 19633 1 26 37 HIS . 19633 1 27 38 ALA . 19633 1 28 39 ASP . 19633 1 29 40 ALA . 19633 1 30 41 ASN . 19633 1 31 42 ALA . 19633 1 32 43 ASP . 19633 1 33 44 GLN . 19633 1 34 45 HIS . 19633 1 35 46 LEU . 19633 1 36 47 ASP . 19633 1 37 48 PHE . 19633 1 38 49 ASP . 19633 1 39 50 GLU . 19633 1 40 51 TRP . 19633 1 41 52 ARG . 19633 1 42 53 GLN . 19633 1 43 54 GLU . 19633 1 44 55 LEU . 19633 1 45 56 LYS . 19633 1 46 57 CYS . 19633 1 47 58 ARG . 19633 1 48 59 GLY . 19633 1 49 60 HIS . 19633 1 50 61 ALA . 19633 1 51 62 ASP . 19633 1 52 63 ALA . 19633 1 53 64 ASP . 19633 1 54 65 ILE . 19633 1 55 66 GLU . 19633 1 56 67 ALA . 19633 1 57 68 VAL . 19633 1 58 69 PHE . 19633 1 59 70 ALA . 19633 1 60 71 LYS . 19633 1 61 72 TYR . 19633 1 62 73 ASP . 19633 1 63 74 VAL . 19633 1 64 75 ASP . 19633 1 65 76 GLY . 19633 1 66 77 ASP . 19633 1 67 78 ARG . 19633 1 68 79 VAL . 19633 1 69 80 LEU . 19633 1 70 81 ASP . 19633 1 71 82 ALA . 19633 1 72 83 GLU . 19633 1 73 84 GLU . 19633 1 74 85 GLN . 19633 1 75 86 MET . 19633 1 76 87 LYS . 19633 1 77 88 MET . 19633 1 78 89 ALA . 19633 1 79 90 HIS . 19633 1 80 91 ASP . 19633 1 81 92 LEU . 19633 1 82 93 GLU . 19633 1 83 94 GLY . 19633 1 84 95 GLN . 19633 1 85 96 LYS . 19633 1 86 97 SER . 19633 1 87 98 ASP . 19633 1 88 99 LEU . 19633 1 89 100 ASN . 19633 1 90 101 ASN . 19633 1 91 102 GLN . 19633 1 92 103 LEU . 19633 1 93 104 ALA . 19633 1 94 105 GLU . 19633 1 95 106 LEU . 19633 1 96 107 GLU . 19633 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19633 1 . GLY 2 2 19633 1 . LEU 3 3 19633 1 . VAL 4 4 19633 1 . PRO 5 5 19633 1 . ARG 6 6 19633 1 . GLY 7 7 19633 1 . SER 8 8 19633 1 . HIS 9 9 19633 1 . MET 10 10 19633 1 . ALA 11 11 19633 1 . SER 12 12 19633 1 . LYS 13 13 19633 1 . ARG 14 14 19633 1 . ASP 15 15 19633 1 . LYS 16 16 19633 1 . ILE 17 17 19633 1 . ALA 18 18 19633 1 . ASP 19 19 19633 1 . ILE 20 20 19633 1 . GLN 21 21 19633 1 . GLU 22 22 19633 1 . ALA 23 23 19633 1 . LEU 24 24 19633 1 . ALA 25 25 19633 1 . HIS 26 26 19633 1 . ALA 27 27 19633 1 . ASP 28 28 19633 1 . ALA 29 29 19633 1 . ASN 30 30 19633 1 . ALA 31 31 19633 1 . ASP 32 32 19633 1 . GLN 33 33 19633 1 . HIS 34 34 19633 1 . LEU 35 35 19633 1 . ASP 36 36 19633 1 . PHE 37 37 19633 1 . ASP 38 38 19633 1 . GLU 39 39 19633 1 . TRP 40 40 19633 1 . ARG 41 41 19633 1 . GLN 42 42 19633 1 . GLU 43 43 19633 1 . LEU 44 44 19633 1 . LYS 45 45 19633 1 . CYS 46 46 19633 1 . ARG 47 47 19633 1 . GLY 48 48 19633 1 . HIS 49 49 19633 1 . ALA 50 50 19633 1 . ASP 51 51 19633 1 . ALA 52 52 19633 1 . ASP 53 53 19633 1 . ILE 54 54 19633 1 . GLU 55 55 19633 1 . ALA 56 56 19633 1 . VAL 57 57 19633 1 . PHE 58 58 19633 1 . ALA 59 59 19633 1 . LYS 60 60 19633 1 . TYR 61 61 19633 1 . ASP 62 62 19633 1 . VAL 63 63 19633 1 . ASP 64 64 19633 1 . GLY 65 65 19633 1 . ASP 66 66 19633 1 . ARG 67 67 19633 1 . VAL 68 68 19633 1 . LEU 69 69 19633 1 . ASP 70 70 19633 1 . ALA 71 71 19633 1 . GLU 72 72 19633 1 . GLU 73 73 19633 1 . GLN 74 74 19633 1 . MET 75 75 19633 1 . LYS 76 76 19633 1 . MET 77 77 19633 1 . ALA 78 78 19633 1 . HIS 79 79 19633 1 . ASP 80 80 19633 1 . LEU 81 81 19633 1 . GLU 82 82 19633 1 . GLY 83 83 19633 1 . GLN 84 84 19633 1 . LYS 85 85 19633 1 . SER 86 86 19633 1 . ASP 87 87 19633 1 . LEU 88 88 19633 1 . ASN 89 89 19633 1 . ASN 90 90 19633 1 . GLN 91 91 19633 1 . LEU 92 92 19633 1 . ALA 93 93 19633 1 . GLU 94 94 19633 1 . LEU 95 95 19633 1 . GLU 96 96 19633 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 19633 _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 $entity . 7668 organism . 'Strongylocentrotus purpuratus' 'purple sea urchin' . . Eukaryota Metazoa Strongylocentrotus purpuratus . . . . . . . . . . . . . . . . . . . . . 19633 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 19633 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21 . . . . . . 19633 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19633 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.7 . . mM . . . . 19633 1 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 19633 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19633 1 4 'calcium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 19633 1 5 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 19633 1 6 'sodium azide' 'natural abundance' . . . . . . .05 . . % . . . . 19633 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 19633 _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' 0.195 0.02 M 19633 1 pH 7.38 . pH 19633 1 pressure 1 . atm 19633 1 temperature 298 . K 19633 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 19633 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19633 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19633 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19633 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19633 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19633 2 'peak picking' 19633 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19633 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19633 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19633 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19633 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19633 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19633 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19633 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19633 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19633 5 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19633 _Software.ID 6 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19633 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19633 6 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 19633 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 19633 _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 Varian INOVA . 600 . . . 19633 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 19633 _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 . . . . . . . . . . . . . . . . 19633 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19633 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19633 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19633 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19633 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19633 1 7 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19633 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19633 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19633 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19633 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19633 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19633 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19633 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19633 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19633 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19633 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19633 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19633 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 19633 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 19633 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19633 1 2 '2D 1H-13C HSQC' . . . 19633 1 3 '3D HNCO' . . . 19633 1 4 '3D HNCACB' . . . 19633 1 5 '3D HN(CO)CA' . . . 19633 1 6 '3D HN(CA)CO' . . . 19633 1 7 '3D HCACO' . . . 19633 1 8 '3D C(CO)NH' . . . 19633 1 9 '3D 1H-15N TOCSY' . . . 19633 1 10 '3D HCCH-TOCSY' . . . 19633 1 13 '3D 1H-13C NOESY aromatic' . . . 19633 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 2 2 GLY H H 1 8.394 0.003 . 1 . . . A 13 GLY H . 19633 1 2 . 1 1 2 2 GLY HA2 H 1 3.955 0.002 . 2 . . . A 13 GLY HA2 . 19633 1 3 . 1 1 2 2 GLY C C 13 173.208 0.012 . 1 . . . A 13 GLY C . 19633 1 4 . 1 1 2 2 GLY CA C 13 45.298 0.040 . 1 . . . A 13 GLY CA . 19633 1 5 . 1 1 2 2 GLY N N 15 110.607 0.051 . 1 . . . A 13 GLY N . 19633 1 6 . 1 1 3 3 LEU H H 1 8.063 0.002 . 1 . . . A 14 LEU H . 19633 1 7 . 1 1 3 3 LEU HA H 1 4.348 0.002 . 1 . . . A 14 LEU HA . 19633 1 8 . 1 1 3 3 LEU HB2 H 1 1.603 0.002 . 2 . . . A 14 LEU HB2 . 19633 1 9 . 1 1 3 3 LEU HB3 H 1 1.527 0.005 . 2 . . . A 14 LEU HB3 . 19633 1 10 . 1 1 3 3 LEU HG H 1 1.550 0.007 . 1 . . . A 14 LEU HG . 19633 1 11 . 1 1 3 3 LEU HD11 H 1 0.867 0.003 . 2 . . . A 14 LEU HD11 . 19633 1 12 . 1 1 3 3 LEU HD12 H 1 0.867 0.003 . 2 . . . A 14 LEU HD12 . 19633 1 13 . 1 1 3 3 LEU HD13 H 1 0.867 0.003 . 2 . . . A 14 LEU HD13 . 19633 1 14 . 1 1 3 3 LEU HD21 H 1 0.822 0.001 . 2 . . . A 14 LEU HD21 . 19633 1 15 . 1 1 3 3 LEU HD22 H 1 0.822 0.001 . 2 . . . A 14 LEU HD22 . 19633 1 16 . 1 1 3 3 LEU HD23 H 1 0.822 0.001 . 2 . . . A 14 LEU HD23 . 19633 1 17 . 1 1 3 3 LEU C C 13 176.527 0.010 . 1 . . . A 14 LEU C . 19633 1 18 . 1 1 3 3 LEU CA C 13 55.160 0.028 . 1 . . . A 14 LEU CA . 19633 1 19 . 1 1 3 3 LEU CB C 13 42.475 0.037 . 1 . . . A 14 LEU CB . 19633 1 20 . 1 1 3 3 LEU CG C 13 26.968 0.000 . 1 . . . A 14 LEU CG . 19633 1 21 . 1 1 3 3 LEU CD1 C 13 24.899 0.036 . 1 . . . A 14 LEU CD1 . 19633 1 22 . 1 1 3 3 LEU CD2 C 13 23.514 0.000 . 1 . . . A 14 LEU CD2 . 19633 1 23 . 1 1 3 3 LEU N N 15 121.598 0.031 . 1 . . . A 14 LEU N . 19633 1 24 . 1 1 4 4 VAL H H 1 8.103 0.001 . 1 . . . A 15 VAL H . 19633 1 25 . 1 1 4 4 VAL HA H 1 4.384 0.000 . 1 . . . A 15 VAL HA . 19633 1 26 . 1 1 4 4 VAL HB H 1 2.058 0.001 . 1 . . . A 15 VAL HB . 19633 1 27 . 1 1 4 4 VAL HG11 H 1 0.910 0.000 . 2 . . . A 15 VAL HG11 . 19633 1 28 . 1 1 4 4 VAL HG12 H 1 0.910 0.000 . 2 . . . A 15 VAL HG12 . 19633 1 29 . 1 1 4 4 VAL HG13 H 1 0.910 0.000 . 2 . . . A 15 VAL HG13 . 19633 1 30 . 1 1 4 4 VAL HG21 H 1 0.925 0.001 . 2 . . . A 15 VAL HG21 . 19633 1 31 . 1 1 4 4 VAL HG22 H 1 0.925 0.001 . 2 . . . A 15 VAL HG22 . 19633 1 32 . 1 1 4 4 VAL HG23 H 1 0.925 0.001 . 2 . . . A 15 VAL HG23 . 19633 1 33 . 1 1 4 4 VAL CA C 13 59.846 0.073 . 1 . . . A 15 VAL CA . 19633 1 34 . 1 1 4 4 VAL CB C 13 32.591 0.012 . 1 . . . A 15 VAL CB . 19633 1 35 . 1 1 4 4 VAL CG1 C 13 20.444 0.033 . 1 . . . A 15 VAL CG1 . 19633 1 36 . 1 1 4 4 VAL CG2 C 13 21.110 0.036 . 1 . . . A 15 VAL CG2 . 19633 1 37 . 1 1 4 4 VAL N N 15 122.437 0.057 . 1 . . . A 15 VAL N . 19633 1 38 . 1 1 5 5 PRO HA H 1 4.395 0.001 . 1 . . . A 16 PRO HA . 19633 1 39 . 1 1 5 5 PRO HB2 H 1 2.282 0.002 . 2 . . . A 16 PRO HB2 . 19633 1 40 . 1 1 5 5 PRO HB3 H 1 1.889 0.003 . 2 . . . A 16 PRO HB3 . 19633 1 41 . 1 1 5 5 PRO HG2 H 1 2.032 0.005 . 2 . . . A 16 PRO HG2 . 19633 1 42 . 1 1 5 5 PRO HG3 H 1 1.944 0.005 . 2 . . . A 16 PRO HG3 . 19633 1 43 . 1 1 5 5 PRO HD2 H 1 3.853 0.003 . 2 . . . A 16 PRO HD2 . 19633 1 44 . 1 1 5 5 PRO HD3 H 1 3.648 0.002 . 2 . . . A 16 PRO HD3 . 19633 1 45 . 1 1 5 5 PRO C C 13 176.519 0.048 . 1 . . . A 16 PRO C . 19633 1 46 . 1 1 5 5 PRO CA C 13 63.302 0.019 . 1 . . . A 16 PRO CA . 19633 1 47 . 1 1 5 5 PRO CB C 13 32.120 0.017 . 1 . . . A 16 PRO CB . 19633 1 48 . 1 1 5 5 PRO CG C 13 27.536 0.006 . 1 . . . A 16 PRO CG . 19633 1 49 . 1 1 5 5 PRO CD C 13 51.058 0.036 . 1 . . . A 16 PRO CD . 19633 1 50 . 1 1 6 6 ARG H H 1 8.491 0.002 . 1 . . . A 17 ARG H . 19633 1 51 . 1 1 6 6 ARG HA H 1 4.296 0.003 . 1 . . . A 17 ARG HA . 19633 1 52 . 1 1 6 6 ARG HB2 H 1 1.838 0.004 . 2 . . . A 17 ARG HB2 . 19633 1 53 . 1 1 6 6 ARG HG2 H 1 1.683 0.002 . 2 . . . A 17 ARG HG2 . 19633 1 54 . 1 1 6 6 ARG HD2 H 1 3.206 0.001 . 2 . . . A 17 ARG HD2 . 19633 1 55 . 1 1 6 6 ARG C C 13 176.609 0.008 . 1 . . . A 17 ARG C . 19633 1 56 . 1 1 6 6 ARG CA C 13 56.689 0.140 . 1 . . . A 17 ARG CA . 19633 1 57 . 1 1 6 6 ARG CB C 13 30.802 0.042 . 1 . . . A 17 ARG CB . 19633 1 58 . 1 1 6 6 ARG CG C 13 27.065 0.073 . 1 . . . A 17 ARG CG . 19633 1 59 . 1 1 6 6 ARG CD C 13 43.284 0.000 . 1 . . . A 17 ARG CD . 19633 1 60 . 1 1 6 6 ARG N N 15 121.818 0.027 . 1 . . . A 17 ARG N . 19633 1 61 . 1 1 7 7 GLY H H 1 8.526 0.001 . 1 . . . A 18 GLY H . 19633 1 62 . 1 1 7 7 GLY HA2 H 1 3.967 0.013 . 2 . . . A 18 GLY HA2 . 19633 1 63 . 1 1 7 7 GLY C C 13 173.903 0.011 . 1 . . . A 18 GLY C . 19633 1 64 . 1 1 7 7 GLY CA C 13 45.649 0.017 . 1 . . . A 18 GLY CA . 19633 1 65 . 1 1 7 7 GLY N N 15 109.904 0.009 . 1 . . . A 18 GLY N . 19633 1 66 . 1 1 8 8 SER H H 1 8.143 0.003 . 1 . . . A 19 SER H . 19633 1 67 . 1 1 8 8 SER HA H 1 4.375 0.003 . 1 . . . A 19 SER HA . 19633 1 68 . 1 1 8 8 SER HB2 H 1 3.886 0.000 . 2 . . . A 19 SER HB2 . 19633 1 69 . 1 1 8 8 SER HB3 H 1 3.840 0.000 . 2 . . . A 19 SER HB3 . 19633 1 70 . 1 1 8 8 SER C C 13 174.629 0.000 . 1 . . . A 19 SER C . 19633 1 71 . 1 1 8 8 SER CA C 13 59.087 0.074 . 1 . . . A 19 SER CA . 19633 1 72 . 1 1 8 8 SER CB C 13 63.703 0.045 . 1 . . . A 19 SER CB . 19633 1 73 . 1 1 8 8 SER N N 15 115.606 0.017 . 1 . . . A 19 SER N . 19633 1 74 . 1 1 9 9 HIS H H 1 8.291 0.002 . 1 . . . A 20 HIS H . 19633 1 75 . 1 1 9 9 HIS HA H 1 4.630 0.003 . 1 . . . A 20 HIS HA . 19633 1 76 . 1 1 9 9 HIS HB2 H 1 3.245 0.006 . 2 . . . A 20 HIS HB2 . 19633 1 77 . 1 1 9 9 HIS HB3 H 1 3.192 0.005 . 2 . . . A 20 HIS HB3 . 19633 1 78 . 1 1 9 9 HIS C C 13 175.272 0.004 . 1 . . . A 20 HIS C . 19633 1 79 . 1 1 9 9 HIS CA C 13 56.893 0.044 . 1 . . . A 20 HIS CA . 19633 1 80 . 1 1 9 9 HIS CB C 13 29.460 0.024 . 1 . . . A 20 HIS CB . 19633 1 81 . 1 1 9 9 HIS N N 15 120.215 0.034 . 1 . . . A 20 HIS N . 19633 1 82 . 1 1 10 10 MET H H 1 8.246 0.005 . 1 . . . A 21 MET H . 19633 1 83 . 1 1 10 10 MET HA H 1 4.265 0.003 . 1 . . . A 21 MET HA . 19633 1 84 . 1 1 10 10 MET HB2 H 1 2.054 0.004 . 2 . . . A 21 MET HB2 . 19633 1 85 . 1 1 10 10 MET HB3 H 1 1.970 0.003 . 2 . . . A 21 MET HB3 . 19633 1 86 . 1 1 10 10 MET HG2 H 1 2.541 0.002 . 2 . . . A 21 MET HG2 . 19633 1 87 . 1 1 10 10 MET HG3 H 1 2.405 0.005 . 2 . . . A 21 MET HG3 . 19633 1 88 . 1 1 10 10 MET C C 13 175.870 0.013 . 1 . . . A 21 MET C . 19633 1 89 . 1 1 10 10 MET CA C 13 57.111 0.040 . 1 . . . A 21 MET CA . 19633 1 90 . 1 1 10 10 MET CB C 13 33.032 0.029 . 1 . . . A 21 MET CB . 19633 1 91 . 1 1 10 10 MET CG C 13 32.210 0.023 . 1 . . . A 21 MET CG . 19633 1 92 . 1 1 10 10 MET N N 15 120.799 0.045 . 1 . . . A 21 MET N . 19633 1 93 . 1 1 11 11 ALA H H 1 8.336 0.003 . 1 . . . A 22 ALA H . 19633 1 94 . 1 1 11 11 ALA HA H 1 4.177 0.001 . 1 . . . A 22 ALA HA . 19633 1 95 . 1 1 11 11 ALA HB1 H 1 1.420 0.004 . 1 . . . A 22 ALA HB1 . 19633 1 96 . 1 1 11 11 ALA HB2 H 1 1.420 0.004 . 1 . . . A 22 ALA HB2 . 19633 1 97 . 1 1 11 11 ALA HB3 H 1 1.420 0.004 . 1 . . . A 22 ALA HB3 . 19633 1 98 . 1 1 11 11 ALA C C 13 177.650 0.003 . 1 . . . A 22 ALA C . 19633 1 99 . 1 1 11 11 ALA CA C 13 53.925 0.033 . 1 . . . A 22 ALA CA . 19633 1 100 . 1 1 11 11 ALA CB C 13 18.800 0.023 . 1 . . . A 22 ALA CB . 19633 1 101 . 1 1 11 11 ALA N N 15 123.852 0.040 . 1 . . . A 22 ALA N . 19633 1 102 . 1 1 12 12 SER H H 1 8.204 0.005 . 1 . . . A 23 SER H . 19633 1 103 . 1 1 12 12 SER HA H 1 4.401 0.006 . 1 . . . A 23 SER HA . 19633 1 104 . 1 1 12 12 SER HB2 H 1 4.043 0.011 . 2 . . . A 23 SER HB2 . 19633 1 105 . 1 1 12 12 SER HB3 H 1 3.940 0.001 . 2 . . . A 23 SER HB3 . 19633 1 106 . 1 1 12 12 SER C C 13 175.352 0.004 . 1 . . . A 23 SER C . 19633 1 107 . 1 1 12 12 SER CA C 13 59.401 0.053 . 1 . . . A 23 SER CA . 19633 1 108 . 1 1 12 12 SER CB C 13 63.755 0.053 . 1 . . . A 23 SER CB . 19633 1 109 . 1 1 12 12 SER N N 15 114.231 0.023 . 1 . . . A 23 SER N . 19633 1 110 . 1 1 13 13 LYS H H 1 8.230 0.007 . 1 . . . A 24 LYS H . 19633 1 111 . 1 1 13 13 LYS HA H 1 4.122 0.009 . 1 . . . A 24 LYS HA . 19633 1 112 . 1 1 13 13 LYS HB2 H 1 1.877 0.005 . 2 . . . A 24 LYS HB2 . 19633 1 113 . 1 1 13 13 LYS HG2 H 1 1.516 0.006 . 2 . . . A 24 LYS HG2 . 19633 1 114 . 1 1 13 13 LYS HG3 H 1 1.406 0.005 . 2 . . . A 24 LYS HG3 . 19633 1 115 . 1 1 13 13 LYS HD2 H 1 1.696 0.005 . 2 . . . A 24 LYS HD2 . 19633 1 116 . 1 1 13 13 LYS HE2 H 1 2.973 0.004 . 2 . . . A 24 LYS HE2 . 19633 1 117 . 1 1 13 13 LYS C C 13 177.114 0.020 . 1 . . . A 24 LYS C . 19633 1 118 . 1 1 13 13 LYS CA C 13 58.925 0.093 . 1 . . . A 24 LYS CA . 19633 1 119 . 1 1 13 13 LYS CB C 13 32.610 0.046 . 1 . . . A 24 LYS CB . 19633 1 120 . 1 1 13 13 LYS CG C 13 25.102 0.035 . 1 . . . A 24 LYS CG . 19633 1 121 . 1 1 13 13 LYS CD C 13 29.365 0.064 . 1 . . . A 24 LYS CD . 19633 1 122 . 1 1 13 13 LYS N N 15 123.227 0.039 . 1 . . . A 24 LYS N . 19633 1 123 . 1 1 14 14 ARG H H 1 8.292 0.003 . 1 . . . A 25 ARG H . 19633 1 124 . 1 1 14 14 ARG HA H 1 3.928 0.002 . 1 . . . A 25 ARG HA . 19633 1 125 . 1 1 14 14 ARG HB2 H 1 2.003 0.007 . 2 . . . A 25 ARG HB2 . 19633 1 126 . 1 1 14 14 ARG HB3 H 1 1.789 0.009 . 2 . . . A 25 ARG HB3 . 19633 1 127 . 1 1 14 14 ARG HG2 H 1 1.788 0.007 . 2 . . . A 25 ARG HG2 . 19633 1 128 . 1 1 14 14 ARG HG3 H 1 1.551 0.004 . 2 . . . A 25 ARG HG3 . 19633 1 129 . 1 1 14 14 ARG HD2 H 1 3.206 0.006 . 2 . . . A 25 ARG HD2 . 19633 1 130 . 1 1 14 14 ARG C C 13 177.079 0.015 . 1 . . . A 25 ARG C . 19633 1 131 . 1 1 14 14 ARG CA C 13 59.101 0.054 . 1 . . . A 25 ARG CA . 19633 1 132 . 1 1 14 14 ARG CB C 13 29.590 0.084 . 1 . . . A 25 ARG CB . 19633 1 133 . 1 1 14 14 ARG CG C 13 27.007 0.057 . 1 . . . A 25 ARG CG . 19633 1 134 . 1 1 14 14 ARG CD C 13 42.718 0.024 . 1 . . . A 25 ARG CD . 19633 1 135 . 1 1 14 14 ARG N N 15 120.391 0.035 . 1 . . . A 25 ARG N . 19633 1 136 . 1 1 15 15 ASP H H 1 8.260 0.008 . 1 . . . A 26 ASP H . 19633 1 137 . 1 1 15 15 ASP HA H 1 4.473 0.004 . 1 . . . A 26 ASP HA . 19633 1 138 . 1 1 15 15 ASP HB2 H 1 2.782 0.002 . 2 . . . A 26 ASP HB2 . 19633 1 139 . 1 1 15 15 ASP C C 13 177.245 0.052 . 1 . . . A 26 ASP C . 19633 1 140 . 1 1 15 15 ASP CA C 13 56.265 0.078 . 1 . . . A 26 ASP CA . 19633 1 141 . 1 1 15 15 ASP CB C 13 40.426 0.022 . 1 . . . A 26 ASP CB . 19633 1 142 . 1 1 15 15 ASP N N 15 120.402 0.051 . 1 . . . A 26 ASP N . 19633 1 143 . 1 1 16 16 LYS H H 1 8.075 0.005 . 1 . . . A 27 LYS H . 19633 1 144 . 1 1 16 16 LYS HA H 1 4.176 0.003 . 1 . . . A 27 LYS HA . 19633 1 145 . 1 1 16 16 LYS HB2 H 1 2.002 0.007 . 2 . . . A 27 LYS HB2 . 19633 1 146 . 1 1 16 16 LYS HB3 H 1 1.917 0.010 . 2 . . . A 27 LYS HB3 . 19633 1 147 . 1 1 16 16 LYS HG2 H 1 1.545 0.004 . 2 . . . A 27 LYS HG2 . 19633 1 148 . 1 1 16 16 LYS HG3 H 1 1.399 0.012 . 2 . . . A 27 LYS HG3 . 19633 1 149 . 1 1 16 16 LYS HD2 H 1 1.670 0.002 . 2 . . . A 27 LYS HD2 . 19633 1 150 . 1 1 16 16 LYS HE2 H 1 2.903 0.002 . 2 . . . A 27 LYS HE2 . 19633 1 151 . 1 1 16 16 LYS C C 13 177.769 0.018 . 1 . . . A 27 LYS C . 19633 1 152 . 1 1 16 16 LYS CA C 13 59.566 0.027 . 1 . . . A 27 LYS CA . 19633 1 153 . 1 1 16 16 LYS CB C 13 32.658 0.036 . 1 . . . A 27 LYS CB . 19633 1 154 . 1 1 16 16 LYS CG C 13 25.457 0.117 . 1 . . . A 27 LYS CG . 19633 1 155 . 1 1 16 16 LYS CD C 13 29.531 0.054 . 1 . . . A 27 LYS CD . 19633 1 156 . 1 1 16 16 LYS CE C 13 41.934 0.000 . 1 . . . A 27 LYS CE . 19633 1 157 . 1 1 16 16 LYS N N 15 121.884 0.085 . 1 . . . A 27 LYS N . 19633 1 158 . 1 1 17 17 ILE H H 1 8.029 0.004 . 1 . . . A 28 ILE H . 19633 1 159 . 1 1 17 17 ILE HA H 1 3.656 0.002 . 1 . . . A 28 ILE HA . 19633 1 160 . 1 1 17 17 ILE HB H 1 1.934 0.001 . 1 . . . A 28 ILE HB . 19633 1 161 . 1 1 17 17 ILE HG12 H 1 1.699 0.002 . 2 . . . A 28 ILE HG12 . 19633 1 162 . 1 1 17 17 ILE HG13 H 1 1.140 0.002 . 2 . . . A 28 ILE HG13 . 19633 1 163 . 1 1 17 17 ILE HG21 H 1 0.884 0.003 . 1 . . . A 28 ILE HG21 . 19633 1 164 . 1 1 17 17 ILE HG22 H 1 0.884 0.003 . 1 . . . A 28 ILE HG22 . 19633 1 165 . 1 1 17 17 ILE HG23 H 1 0.884 0.003 . 1 . . . A 28 ILE HG23 . 19633 1 166 . 1 1 17 17 ILE HD11 H 1 0.799 0.004 . 1 . . . A 28 ILE HD11 . 19633 1 167 . 1 1 17 17 ILE HD12 H 1 0.799 0.004 . 1 . . . A 28 ILE HD12 . 19633 1 168 . 1 1 17 17 ILE HD13 H 1 0.799 0.004 . 1 . . . A 28 ILE HD13 . 19633 1 169 . 1 1 17 17 ILE C C 13 176.981 0.013 . 1 . . . A 28 ILE C . 19633 1 170 . 1 1 17 17 ILE CA C 13 64.838 0.070 . 1 . . . A 28 ILE CA . 19633 1 171 . 1 1 17 17 ILE CB C 13 37.761 0.039 . 1 . . . A 28 ILE CB . 19633 1 172 . 1 1 17 17 ILE CG1 C 13 29.108 0.067 . 1 . . . A 28 ILE CG1 . 19633 1 173 . 1 1 17 17 ILE CG2 C 13 18.229 0.008 . 1 . . . A 28 ILE CG2 . 19633 1 174 . 1 1 17 17 ILE CD1 C 13 13.393 0.068 . 1 . . . A 28 ILE CD1 . 19633 1 175 . 1 1 17 17 ILE N N 15 118.906 0.069 . 1 . . . A 28 ILE N . 19633 1 176 . 1 1 18 18 ALA H H 1 8.125 0.002 . 1 . . . A 29 ALA H . 19633 1 177 . 1 1 18 18 ALA HA H 1 4.377 0.003 . 1 . . . A 29 ALA HA . 19633 1 178 . 1 1 18 18 ALA HB1 H 1 1.523 0.000 . 1 . . . A 29 ALA HB1 . 19633 1 179 . 1 1 18 18 ALA HB2 H 1 1.523 0.000 . 1 . . . A 29 ALA HB2 . 19633 1 180 . 1 1 18 18 ALA HB3 H 1 1.523 0.000 . 1 . . . A 29 ALA HB3 . 19633 1 181 . 1 1 18 18 ALA C C 13 179.641 0.001 . 1 . . . A 29 ALA C . 19633 1 182 . 1 1 18 18 ALA CA C 13 54.762 0.031 . 1 . . . A 29 ALA CA . 19633 1 183 . 1 1 18 18 ALA CB C 13 18.241 0.023 . 1 . . . A 29 ALA CB . 19633 1 184 . 1 1 18 18 ALA N N 15 122.140 0.047 . 1 . . . A 29 ALA N . 19633 1 185 . 1 1 19 19 ASP H H 1 8.032 0.004 . 1 . . . A 30 ASP H . 19633 1 186 . 1 1 19 19 ASP HA H 1 4.416 0.001 . 1 . . . A 30 ASP HA . 19633 1 187 . 1 1 19 19 ASP HB2 H 1 2.949 0.005 . 2 . . . A 30 ASP HB2 . 19633 1 188 . 1 1 19 19 ASP HB3 H 1 2.670 0.002 . 2 . . . A 30 ASP HB3 . 19633 1 189 . 1 1 19 19 ASP C C 13 177.548 0.014 . 1 . . . A 30 ASP C . 19633 1 190 . 1 1 19 19 ASP CA C 13 57.411 0.033 . 1 . . . A 30 ASP CA . 19633 1 191 . 1 1 19 19 ASP CB C 13 42.351 0.024 . 1 . . . A 30 ASP CB . 19633 1 192 . 1 1 19 19 ASP N N 15 118.264 0.023 . 1 . . . A 30 ASP N . 19633 1 193 . 1 1 20 20 ILE H H 1 8.011 0.002 . 1 . . . A 31 ILE H . 19633 1 194 . 1 1 20 20 ILE HA H 1 3.492 0.002 . 1 . . . A 31 ILE HA . 19633 1 195 . 1 1 20 20 ILE HB H 1 2.041 0.006 . 1 . . . A 31 ILE HB . 19633 1 196 . 1 1 20 20 ILE HG12 H 1 1.824 0.004 . 2 . . . A 31 ILE HG12 . 19633 1 197 . 1 1 20 20 ILE HG13 H 1 0.897 0.009 . 2 . . . A 31 ILE HG13 . 19633 1 198 . 1 1 20 20 ILE HG21 H 1 1.045 0.006 . 1 . . . A 31 ILE HG21 . 19633 1 199 . 1 1 20 20 ILE HG22 H 1 1.045 0.006 . 1 . . . A 31 ILE HG22 . 19633 1 200 . 1 1 20 20 ILE HG23 H 1 1.045 0.006 . 1 . . . A 31 ILE HG23 . 19633 1 201 . 1 1 20 20 ILE HD11 H 1 0.834 0.004 . 1 . . . A 31 ILE HD11 . 19633 1 202 . 1 1 20 20 ILE HD12 H 1 0.834 0.004 . 1 . . . A 31 ILE HD12 . 19633 1 203 . 1 1 20 20 ILE HD13 H 1 0.834 0.004 . 1 . . . A 31 ILE HD13 . 19633 1 204 . 1 1 20 20 ILE C C 13 177.006 0.010 . 1 . . . A 31 ILE C . 19633 1 205 . 1 1 20 20 ILE CA C 13 64.957 0.058 . 1 . . . A 31 ILE CA . 19633 1 206 . 1 1 20 20 ILE CB C 13 37.176 0.026 . 1 . . . A 31 ILE CB . 19633 1 207 . 1 1 20 20 ILE CG1 C 13 29.480 0.025 . 1 . . . A 31 ILE CG1 . 19633 1 208 . 1 1 20 20 ILE CG2 C 13 19.305 0.087 . 1 . . . A 31 ILE CG2 . 19633 1 209 . 1 1 20 20 ILE CD1 C 13 12.952 0.056 . 1 . . . A 31 ILE CD1 . 19633 1 210 . 1 1 20 20 ILE N N 15 119.877 0.032 . 1 . . . A 31 ILE N . 19633 1 211 . 1 1 21 21 GLN H H 1 8.545 0.002 . 1 . . . A 32 GLN H . 19633 1 212 . 1 1 21 21 GLN HA H 1 3.877 0.004 . 1 . . . A 32 GLN HA . 19633 1 213 . 1 1 21 21 GLN HB2 H 1 2.349 0.010 . 2 . . . A 32 GLN HB2 . 19633 1 214 . 1 1 21 21 GLN HB3 H 1 2.047 0.014 . 2 . . . A 32 GLN HB3 . 19633 1 215 . 1 1 21 21 GLN HG2 H 1 2.519 0.015 . 2 . . . A 32 GLN HG2 . 19633 1 216 . 1 1 21 21 GLN HG3 H 1 2.233 0.005 . 2 . . . A 32 GLN HG3 . 19633 1 217 . 1 1 21 21 GLN HE21 H 1 7.595 0.005 . 2 . . . A 32 GLN HE21 . 19633 1 218 . 1 1 21 21 GLN HE22 H 1 7.023 0.005 . 2 . . . A 32 GLN HE22 . 19633 1 219 . 1 1 21 21 GLN C C 13 178.977 0.018 . 1 . . . A 32 GLN C . 19633 1 220 . 1 1 21 21 GLN CA C 13 60.120 0.052 . 1 . . . A 32 GLN CA . 19633 1 221 . 1 1 21 21 GLN CB C 13 29.352 0.134 . 1 . . . A 32 GLN CB . 19633 1 222 . 1 1 21 21 GLN CG C 13 35.450 0.117 . 1 . . . A 32 GLN CG . 19633 1 223 . 1 1 21 21 GLN N N 15 118.920 0.029 . 1 . . . A 32 GLN N . 19633 1 224 . 1 1 21 21 GLN NE2 N 15 110.805 0.196 . 1 . . . A 32 GLN NE2 . 19633 1 225 . 1 1 22 22 GLU H H 1 8.081 0.006 . 1 . . . A 33 GLU H . 19633 1 226 . 1 1 22 22 GLU HA H 1 4.065 0.009 . 1 . . . A 33 GLU HA . 19633 1 227 . 1 1 22 22 GLU HB2 H 1 2.179 0.003 . 2 . . . A 33 GLU HB2 . 19633 1 228 . 1 1 22 22 GLU HB3 H 1 2.112 0.002 . 2 . . . A 33 GLU HB3 . 19633 1 229 . 1 1 22 22 GLU HG2 H 1 2.434 0.004 . 2 . . . A 33 GLU HG2 . 19633 1 230 . 1 1 22 22 GLU HG3 H 1 2.298 0.002 . 2 . . . A 33 GLU HG3 . 19633 1 231 . 1 1 22 22 GLU C C 13 178.491 0.023 . 1 . . . A 33 GLU C . 19633 1 232 . 1 1 22 22 GLU CA C 13 59.283 0.072 . 1 . . . A 33 GLU CA . 19633 1 233 . 1 1 22 22 GLU CB C 13 29.168 0.136 . 1 . . . A 33 GLU CB . 19633 1 234 . 1 1 22 22 GLU CG C 13 36.531 0.013 . 1 . . . A 33 GLU CG . 19633 1 235 . 1 1 22 22 GLU N N 15 120.014 0.044 . 1 . . . A 33 GLU N . 19633 1 236 . 1 1 23 23 ALA H H 1 8.319 0.002 . 1 . . . A 34 ALA H . 19633 1 237 . 1 1 23 23 ALA HA H 1 3.930 0.003 . 1 . . . A 34 ALA HA . 19633 1 238 . 1 1 23 23 ALA HB1 H 1 1.190 0.001 . 1 . . . A 34 ALA HB1 . 19633 1 239 . 1 1 23 23 ALA HB2 H 1 1.190 0.001 . 1 . . . A 34 ALA HB2 . 19633 1 240 . 1 1 23 23 ALA HB3 H 1 1.190 0.001 . 1 . . . A 34 ALA HB3 . 19633 1 241 . 1 1 23 23 ALA C C 13 179.129 0.010 . 1 . . . A 34 ALA C . 19633 1 242 . 1 1 23 23 ALA CA C 13 55.367 0.036 . 1 . . . A 34 ALA CA . 19633 1 243 . 1 1 23 23 ALA CB C 13 18.810 0.049 . 1 . . . A 34 ALA CB . 19633 1 244 . 1 1 23 23 ALA N N 15 123.236 0.046 . 1 . . . A 34 ALA N . 19633 1 245 . 1 1 24 24 LEU H H 1 8.384 0.003 . 1 . . . A 35 LEU H . 19633 1 246 . 1 1 24 24 LEU HA H 1 4.015 0.002 . 1 . . . A 35 LEU HA . 19633 1 247 . 1 1 24 24 LEU HB2 H 1 1.846 0.001 . 2 . . . A 35 LEU HB2 . 19633 1 248 . 1 1 24 24 LEU HB3 H 1 1.749 0.009 . 2 . . . A 35 LEU HB3 . 19633 1 249 . 1 1 24 24 LEU HG H 1 1.849 0.009 . 1 . . . A 35 LEU HG . 19633 1 250 . 1 1 24 24 LEU HD11 H 1 0.908 0.006 . 2 . . . A 35 LEU HD11 . 19633 1 251 . 1 1 24 24 LEU HD12 H 1 0.908 0.006 . 2 . . . A 35 LEU HD12 . 19633 1 252 . 1 1 24 24 LEU HD13 H 1 0.908 0.006 . 2 . . . A 35 LEU HD13 . 19633 1 253 . 1 1 24 24 LEU HD21 H 1 0.911 0.004 . 2 . . . A 35 LEU HD21 . 19633 1 254 . 1 1 24 24 LEU HD22 H 1 0.911 0.004 . 2 . . . A 35 LEU HD22 . 19633 1 255 . 1 1 24 24 LEU HD23 H 1 0.911 0.004 . 2 . . . A 35 LEU HD23 . 19633 1 256 . 1 1 24 24 LEU C C 13 177.772 0.056 . 1 . . . A 35 LEU C . 19633 1 257 . 1 1 24 24 LEU CA C 13 58.222 0.134 . 1 . . . A 35 LEU CA . 19633 1 258 . 1 1 24 24 LEU CB C 13 42.139 0.004 . 1 . . . A 35 LEU CB . 19633 1 259 . 1 1 24 24 LEU CG C 13 27.147 0.044 . 1 . . . A 35 LEU CG . 19633 1 260 . 1 1 24 24 LEU CD1 C 13 24.543 0.045 . 1 . . . A 35 LEU CD1 . 19633 1 261 . 1 1 24 24 LEU CD2 C 13 23.962 0.031 . 1 . . . A 35 LEU CD2 . 19633 1 262 . 1 1 24 24 LEU N N 15 117.635 0.110 . 1 . . . A 35 LEU N . 19633 1 263 . 1 1 25 25 ALA H H 1 7.339 0.006 . 1 . . . A 36 ALA H . 19633 1 264 . 1 1 25 25 ALA HA H 1 4.234 0.001 . 1 . . . A 36 ALA HA . 19633 1 265 . 1 1 25 25 ALA HB1 H 1 1.353 0.001 . 1 . . . A 36 ALA HB1 . 19633 1 266 . 1 1 25 25 ALA HB2 H 1 1.353 0.001 . 1 . . . A 36 ALA HB2 . 19633 1 267 . 1 1 25 25 ALA HB3 H 1 1.353 0.001 . 1 . . . A 36 ALA HB3 . 19633 1 268 . 1 1 25 25 ALA C C 13 178.195 0.013 . 1 . . . A 36 ALA C . 19633 1 269 . 1 1 25 25 ALA CA C 13 53.510 0.078 . 1 . . . A 36 ALA CA . 19633 1 270 . 1 1 25 25 ALA CB C 13 18.836 0.015 . 1 . . . A 36 ALA CB . 19633 1 271 . 1 1 25 25 ALA N N 15 117.942 0.071 . 1 . . . A 36 ALA N . 19633 1 272 . 1 1 26 26 HIS H H 1 7.760 0.005 . 1 . . . A 37 HIS H . 19633 1 273 . 1 1 26 26 HIS HA H 1 4.694 0.006 . 1 . . . A 37 HIS HA . 19633 1 274 . 1 1 26 26 HIS HB2 H 1 3.218 0.003 . 2 . . . A 37 HIS HB2 . 19633 1 275 . 1 1 26 26 HIS HB3 H 1 2.978 0.005 . 2 . . . A 37 HIS HB3 . 19633 1 276 . 1 1 26 26 HIS HD2 H 1 7.364 0.020 . 1 . . . A 37 HIS HD2 . 19633 1 277 . 1 1 26 26 HIS C C 13 174.813 0.013 . 1 . . . A 37 HIS C . 19633 1 278 . 1 1 26 26 HIS CA C 13 56.789 0.095 . 1 . . . A 37 HIS CA . 19633 1 279 . 1 1 26 26 HIS CB C 13 30.662 0.014 . 1 . . . A 37 HIS CB . 19633 1 280 . 1 1 26 26 HIS CD2 C 13 119.617 0.110 . 1 . . . A 37 HIS CD2 . 19633 1 281 . 1 1 26 26 HIS N N 15 114.226 0.013 . 1 . . . A 37 HIS N . 19633 1 282 . 1 1 27 27 ALA H H 1 8.088 0.008 . 1 . . . A 38 ALA H . 19633 1 283 . 1 1 27 27 ALA HA H 1 4.227 0.002 . 1 . . . A 38 ALA HA . 19633 1 284 . 1 1 27 27 ALA HB1 H 1 1.491 0.004 . 1 . . . A 38 ALA HB1 . 19633 1 285 . 1 1 27 27 ALA HB2 H 1 1.491 0.004 . 1 . . . A 38 ALA HB2 . 19633 1 286 . 1 1 27 27 ALA HB3 H 1 1.491 0.004 . 1 . . . A 38 ALA HB3 . 19633 1 287 . 1 1 27 27 ALA C C 13 177.277 0.002 . 1 . . . A 38 ALA C . 19633 1 288 . 1 1 27 27 ALA CA C 13 54.329 0.086 . 1 . . . A 38 ALA CA . 19633 1 289 . 1 1 27 27 ALA CB C 13 19.515 0.025 . 1 . . . A 38 ALA CB . 19633 1 290 . 1 1 27 27 ALA N N 15 119.065 0.098 . 1 . . . A 38 ALA N . 19633 1 291 . 1 1 28 28 ASP H H 1 8.227 0.004 . 1 . . . A 39 ASP H . 19633 1 292 . 1 1 28 28 ASP HA H 1 4.613 0.003 . 1 . . . A 39 ASP HA . 19633 1 293 . 1 1 28 28 ASP HB2 H 1 2.897 0.003 . 2 . . . A 39 ASP HB2 . 19633 1 294 . 1 1 28 28 ASP HB3 H 1 2.465 0.011 . 2 . . . A 39 ASP HB3 . 19633 1 295 . 1 1 28 28 ASP C C 13 176.150 0.000 . 1 . . . A 39 ASP C . 19633 1 296 . 1 1 28 28 ASP CA C 13 53.718 0.029 . 1 . . . A 39 ASP CA . 19633 1 297 . 1 1 28 28 ASP CB C 13 38.660 0.038 . 1 . . . A 39 ASP CB . 19633 1 298 . 1 1 28 28 ASP N N 15 116.841 0.028 . 1 . . . A 39 ASP N . 19633 1 299 . 1 1 29 29 ALA H H 1 8.234 0.003 . 1 . . . A 40 ALA H . 19633 1 300 . 1 1 29 29 ALA HA H 1 4.176 0.018 . 1 . . . A 40 ALA HA . 19633 1 301 . 1 1 29 29 ALA HB1 H 1 1.533 0.001 . 1 . . . A 40 ALA HB1 . 19633 1 302 . 1 1 29 29 ALA HB2 H 1 1.533 0.001 . 1 . . . A 40 ALA HB2 . 19633 1 303 . 1 1 29 29 ALA HB3 H 1 1.533 0.001 . 1 . . . A 40 ALA HB3 . 19633 1 304 . 1 1 29 29 ALA C C 13 177.622 0.014 . 1 . . . A 40 ALA C . 19633 1 305 . 1 1 29 29 ALA CA C 13 54.476 0.039 . 1 . . . A 40 ALA CA . 19633 1 306 . 1 1 29 29 ALA CB C 13 19.615 0.010 . 1 . . . A 40 ALA CB . 19633 1 307 . 1 1 29 29 ALA N N 15 132.040 0.035 . 1 . . . A 40 ALA N . 19633 1 308 . 1 1 30 30 ASN H H 1 7.773 0.005 . 1 . . . A 41 ASN H . 19633 1 309 . 1 1 30 30 ASN HA H 1 4.787 0.004 . 1 . . . A 41 ASN HA . 19633 1 310 . 1 1 30 30 ASN HB2 H 1 3.290 0.005 . 2 . . . A 41 ASN HB2 . 19633 1 311 . 1 1 30 30 ASN HB3 H 1 2.831 0.004 . 2 . . . A 41 ASN HB3 . 19633 1 312 . 1 1 30 30 ASN HD21 H 1 7.847 0.003 . 2 . . . A 41 ASN HD21 . 19633 1 313 . 1 1 30 30 ASN HD22 H 1 6.763 0.004 . 2 . . . A 41 ASN HD22 . 19633 1 314 . 1 1 30 30 ASN C C 13 174.023 0.010 . 1 . . . A 41 ASN C . 19633 1 315 . 1 1 30 30 ASN CA C 13 51.556 0.042 . 1 . . . A 41 ASN CA . 19633 1 316 . 1 1 30 30 ASN CB C 13 36.952 0.071 . 1 . . . A 41 ASN CB . 19633 1 317 . 1 1 30 30 ASN N N 15 112.590 0.016 . 1 . . . A 41 ASN N . 19633 1 318 . 1 1 30 30 ASN ND2 N 15 112.497 0.189 . 1 . . . A 41 ASN ND2 . 19633 1 319 . 1 1 31 31 ALA H H 1 7.826 0.003 . 1 . . . A 42 ALA H . 19633 1 320 . 1 1 31 31 ALA HA H 1 3.995 0.000 . 1 . . . A 42 ALA HA . 19633 1 321 . 1 1 31 31 ALA HB1 H 1 1.371 0.002 . 1 . . . A 42 ALA HB1 . 19633 1 322 . 1 1 31 31 ALA HB2 H 1 1.371 0.002 . 1 . . . A 42 ALA HB2 . 19633 1 323 . 1 1 31 31 ALA HB3 H 1 1.371 0.002 . 1 . . . A 42 ALA HB3 . 19633 1 324 . 1 1 31 31 ALA C C 13 175.449 0.028 . 1 . . . A 42 ALA C . 19633 1 325 . 1 1 31 31 ALA CA C 13 53.334 0.043 . 1 . . . A 42 ALA CA . 19633 1 326 . 1 1 31 31 ALA CB C 13 17.114 0.029 . 1 . . . A 42 ALA CB . 19633 1 327 . 1 1 31 31 ALA N N 15 120.067 0.069 . 1 . . . A 42 ALA N . 19633 1 328 . 1 1 32 32 ASP H H 1 8.054 0.004 . 1 . . . A 43 ASP H . 19633 1 329 . 1 1 32 32 ASP HA H 1 4.804 0.004 . 1 . . . A 43 ASP HA . 19633 1 330 . 1 1 32 32 ASP HB2 H 1 3.076 0.003 . 2 . . . A 43 ASP HB2 . 19633 1 331 . 1 1 32 32 ASP HB3 H 1 2.336 0.003 . 2 . . . A 43 ASP HB3 . 19633 1 332 . 1 1 32 32 ASP C C 13 178.263 0.012 . 1 . . . A 43 ASP C . 19633 1 333 . 1 1 32 32 ASP CA C 13 52.957 0.031 . 1 . . . A 43 ASP CA . 19633 1 334 . 1 1 32 32 ASP CB C 13 41.009 0.030 . 1 . . . A 43 ASP CB . 19633 1 335 . 1 1 32 32 ASP N N 15 116.878 0.017 . 1 . . . A 43 ASP N . 19633 1 336 . 1 1 33 33 GLN H H 1 9.812 0.004 . 1 . . . A 44 GLN H . 19633 1 337 . 1 1 33 33 GLN HA H 1 3.813 0.004 . 1 . . . A 44 GLN HA . 19633 1 338 . 1 1 33 33 GLN HB2 H 1 2.431 0.011 . 2 . . . A 44 GLN HB2 . 19633 1 339 . 1 1 33 33 GLN HB3 H 1 2.301 0.013 . 2 . . . A 44 GLN HB3 . 19633 1 340 . 1 1 33 33 GLN HG2 H 1 2.263 0.007 . 2 . . . A 44 GLN HG2 . 19633 1 341 . 1 1 33 33 GLN HG3 H 1 2.439 0.000 . 2 . . . A 44 GLN HG3 . 19633 1 342 . 1 1 33 33 GLN HE21 H 1 7.499 0.002 . 2 . . . A 44 GLN HE21 . 19633 1 343 . 1 1 33 33 GLN HE22 H 1 6.668 0.004 . 2 . . . A 44 GLN HE22 . 19633 1 344 . 1 1 33 33 GLN C C 13 173.903 0.059 . 1 . . . A 44 GLN C . 19633 1 345 . 1 1 33 33 GLN CA C 13 58.407 0.057 . 1 . . . A 44 GLN CA . 19633 1 346 . 1 1 33 33 GLN CB C 13 25.863 0.066 . 1 . . . A 44 GLN CB . 19633 1 347 . 1 1 33 33 GLN CG C 13 34.841 0.455 . 1 . . . A 44 GLN CG . 19633 1 348 . 1 1 33 33 GLN N N 15 116.908 0.037 . 1 . . . A 44 GLN N . 19633 1 349 . 1 1 33 33 GLN NE2 N 15 112.057 0.164 . 1 . . . A 44 GLN NE2 . 19633 1 350 . 1 1 34 34 HIS H H 1 8.297 0.005 . 1 . . . A 45 HIS H . 19633 1 351 . 1 1 34 34 HIS HA H 1 4.691 0.002 . 1 . . . A 45 HIS HA . 19633 1 352 . 1 1 34 34 HIS HB2 H 1 3.152 0.002 . 2 . . . A 45 HIS HB2 . 19633 1 353 . 1 1 34 34 HIS HB3 H 1 2.834 0.003 . 2 . . . A 45 HIS HB3 . 19633 1 354 . 1 1 34 34 HIS C C 13 172.739 0.015 . 1 . . . A 45 HIS C . 19633 1 355 . 1 1 34 34 HIS CA C 13 54.059 0.030 . 1 . . . A 45 HIS CA . 19633 1 356 . 1 1 34 34 HIS CB C 13 30.756 0.011 . 1 . . . A 45 HIS CB . 19633 1 357 . 1 1 34 34 HIS N N 15 116.093 0.120 . 1 . . . A 45 HIS N . 19633 1 358 . 1 1 35 35 LEU H H 1 8.900 0.003 . 1 . . . A 46 LEU H . 19633 1 359 . 1 1 35 35 LEU HA H 1 5.390 0.004 . 1 . . . A 46 LEU HA . 19633 1 360 . 1 1 35 35 LEU HB2 H 1 1.768 0.006 . 2 . . . A 46 LEU HB2 . 19633 1 361 . 1 1 35 35 LEU HB3 H 1 1.667 0.015 . 2 . . . A 46 LEU HB3 . 19633 1 362 . 1 1 35 35 LEU HG H 1 1.678 0.001 . 1 . . . A 46 LEU HG . 19633 1 363 . 1 1 35 35 LEU HD11 H 1 1.062 0.003 . 2 . . . A 46 LEU HD11 . 19633 1 364 . 1 1 35 35 LEU HD12 H 1 1.062 0.003 . 2 . . . A 46 LEU HD12 . 19633 1 365 . 1 1 35 35 LEU HD13 H 1 1.062 0.003 . 2 . . . A 46 LEU HD13 . 19633 1 366 . 1 1 35 35 LEU HD21 H 1 0.993 0.006 . 2 . . . A 46 LEU HD21 . 19633 1 367 . 1 1 35 35 LEU HD22 H 1 0.993 0.006 . 2 . . . A 46 LEU HD22 . 19633 1 368 . 1 1 35 35 LEU HD23 H 1 0.993 0.006 . 2 . . . A 46 LEU HD23 . 19633 1 369 . 1 1 35 35 LEU C C 13 175.125 0.021 . 1 . . . A 46 LEU C . 19633 1 370 . 1 1 35 35 LEU CA C 13 53.152 0.080 . 1 . . . A 46 LEU CA . 19633 1 371 . 1 1 35 35 LEU CB C 13 42.793 0.041 . 1 . . . A 46 LEU CB . 19633 1 372 . 1 1 35 35 LEU CG C 13 27.569 0.018 . 1 . . . A 46 LEU CG . 19633 1 373 . 1 1 35 35 LEU CD1 C 13 26.765 0.019 . 1 . . . A 46 LEU CD1 . 19633 1 374 . 1 1 35 35 LEU CD2 C 13 25.511 0.025 . 1 . . . A 46 LEU CD2 . 19633 1 375 . 1 1 35 35 LEU N N 15 127.499 0.036 . 1 . . . A 46 LEU N . 19633 1 376 . 1 1 36 36 ASP H H 1 9.149 0.005 . 1 . . . A 47 ASP H . 19633 1 377 . 1 1 36 36 ASP HA H 1 5.139 0.002 . 1 . . . A 47 ASP HA . 19633 1 378 . 1 1 36 36 ASP HB2 H 1 3.124 0.003 . 2 . . . A 47 ASP HB2 . 19633 1 379 . 1 1 36 36 ASP HB3 H 1 2.805 0.005 . 2 . . . A 47 ASP HB3 . 19633 1 380 . 1 1 36 36 ASP C C 13 175.732 0.011 . 1 . . . A 47 ASP C . 19633 1 381 . 1 1 36 36 ASP CA C 13 54.130 0.032 . 1 . . . A 47 ASP CA . 19633 1 382 . 1 1 36 36 ASP CB C 13 41.943 0.015 . 1 . . . A 47 ASP CB . 19633 1 383 . 1 1 36 36 ASP N N 15 126.851 0.029 . 1 . . . A 47 ASP N . 19633 1 384 . 1 1 37 37 PHE H H 1 8.240 0.008 . 1 . . . A 48 PHE H . 19633 1 385 . 1 1 37 37 PHE HA H 1 3.546 0.001 . 1 . . . A 48 PHE HA . 19633 1 386 . 1 1 37 37 PHE HB2 H 1 2.755 0.007 . 2 . . . A 48 PHE HB2 . 19633 1 387 . 1 1 37 37 PHE HB3 H 1 2.511 0.003 . 2 . . . A 48 PHE HB3 . 19633 1 388 . 1 1 37 37 PHE HD1 H 1 6.091 0.008 . 1 . . . A 48 PHE HD1 . 19633 1 389 . 1 1 37 37 PHE HD2 H 1 6.091 0.008 . 1 . . . A 48 PHE HD2 . 19633 1 390 . 1 1 37 37 PHE HE1 H 1 7.081 0.006 . 1 . . . A 48 PHE HE1 . 19633 1 391 . 1 1 37 37 PHE HE2 H 1 7.081 0.006 . 1 . . . A 48 PHE HE2 . 19633 1 392 . 1 1 37 37 PHE HZ H 1 7.250 0.005 . 1 . . . A 48 PHE HZ . 19633 1 393 . 1 1 37 37 PHE C C 13 175.740 0.011 . 1 . . . A 48 PHE C . 19633 1 394 . 1 1 37 37 PHE CA C 13 62.782 0.033 . 1 . . . A 48 PHE CA . 19633 1 395 . 1 1 37 37 PHE CB C 13 38.672 0.107 . 1 . . . A 48 PHE CB . 19633 1 396 . 1 1 37 37 PHE CD2 C 13 130.852 0.011 . 1 . . . A 48 PHE CD2 . 19633 1 397 . 1 1 37 37 PHE CE2 C 13 129.559 0.023 . 1 . . . A 48 PHE CE2 . 19633 1 398 . 1 1 37 37 PHE CZ C 13 128.629 0.005 . 1 . . . A 48 PHE CZ . 19633 1 399 . 1 1 37 37 PHE N N 15 119.637 0.123 . 1 . . . A 48 PHE N . 19633 1 400 . 1 1 38 38 ASP H H 1 8.548 0.002 . 1 . . . A 49 ASP H . 19633 1 401 . 1 1 38 38 ASP HA H 1 4.256 0.003 . 1 . . . A 49 ASP HA . 19633 1 402 . 1 1 38 38 ASP HB2 H 1 2.733 0.002 . 2 . . . A 49 ASP HB2 . 19633 1 403 . 1 1 38 38 ASP HB3 H 1 2.657 0.007 . 2 . . . A 49 ASP HB3 . 19633 1 404 . 1 1 38 38 ASP C C 13 178.782 0.008 . 1 . . . A 49 ASP C . 19633 1 405 . 1 1 38 38 ASP CA C 13 58.069 0.021 . 1 . . . A 49 ASP CA . 19633 1 406 . 1 1 38 38 ASP CB C 13 40.422 0.112 . 1 . . . A 49 ASP CB . 19633 1 407 . 1 1 38 38 ASP N N 15 117.321 0.036 . 1 . . . A 49 ASP N . 19633 1 408 . 1 1 39 39 GLU H H 1 8.148 0.006 . 1 . . . A 50 GLU H . 19633 1 409 . 1 1 39 39 GLU HA H 1 4.024 0.008 . 1 . . . A 50 GLU HA . 19633 1 410 . 1 1 39 39 GLU HB2 H 1 2.626 0.006 . 2 . . . A 50 GLU HB2 . 19633 1 411 . 1 1 39 39 GLU HB3 H 1 2.429 0.014 . 2 . . . A 50 GLU HB3 . 19633 1 412 . 1 1 39 39 GLU HG2 H 1 2.940 0.005 . 2 . . . A 50 GLU HG2 . 19633 1 413 . 1 1 39 39 GLU HG3 H 1 2.344 0.004 . 2 . . . A 50 GLU HG3 . 19633 1 414 . 1 1 39 39 GLU C C 13 179.413 0.002 . 1 . . . A 50 GLU C . 19633 1 415 . 1 1 39 39 GLU CA C 13 59.225 0.059 . 1 . . . A 50 GLU CA . 19633 1 416 . 1 1 39 39 GLU CB C 13 29.976 0.166 . 1 . . . A 50 GLU CB . 19633 1 417 . 1 1 39 39 GLU CG C 13 37.499 0.019 . 1 . . . A 50 GLU CG . 19633 1 418 . 1 1 39 39 GLU N N 15 120.846 0.123 . 1 . . . A 50 GLU N . 19633 1 419 . 1 1 40 40 TRP H H 1 8.102 0.014 . 1 . . . A 51 TRP H . 19633 1 420 . 1 1 40 40 TRP HA H 1 4.102 0.009 . 1 . . . A 51 TRP HA . 19633 1 421 . 1 1 40 40 TRP HB2 H 1 3.247 0.012 . 2 . . . A 51 TRP HB2 . 19633 1 422 . 1 1 40 40 TRP HB3 H 1 3.130 0.003 . 2 . . . A 51 TRP HB3 . 19633 1 423 . 1 1 40 40 TRP HD1 H 1 6.518 0.003 . 1 . . . A 51 TRP HD1 . 19633 1 424 . 1 1 40 40 TRP HE1 H 1 9.973 0.005 . 1 . . . A 51 TRP HE1 . 19633 1 425 . 1 1 40 40 TRP HE3 H 1 7.280 0.005 . 1 . . . A 51 TRP HE3 . 19633 1 426 . 1 1 40 40 TRP HZ2 H 1 7.201 0.006 . 1 . . . A 51 TRP HZ2 . 19633 1 427 . 1 1 40 40 TRP HZ3 H 1 6.701 0.002 . 1 . . . A 51 TRP HZ3 . 19633 1 428 . 1 1 40 40 TRP HH2 H 1 7.086 0.003 . 1 . . . A 51 TRP HH2 . 19633 1 429 . 1 1 40 40 TRP C C 13 174.989 0.008 . 1 . . . A 51 TRP C . 19633 1 430 . 1 1 40 40 TRP CA C 13 59.697 0.122 . 1 . . . A 51 TRP CA . 19633 1 431 . 1 1 40 40 TRP CB C 13 30.331 0.146 . 1 . . . A 51 TRP CB . 19633 1 432 . 1 1 40 40 TRP CD1 C 13 125.973 0.080 . 1 . . . A 51 TRP CD1 . 19633 1 433 . 1 1 40 40 TRP CE3 C 13 119.129 0.087 . 1 . . . A 51 TRP CE3 . 19633 1 434 . 1 1 40 40 TRP CZ2 C 13 112.886 0.018 . 1 . . . A 51 TRP CZ2 . 19633 1 435 . 1 1 40 40 TRP CZ3 C 13 120.271 0.141 . 1 . . . A 51 TRP CZ3 . 19633 1 436 . 1 1 40 40 TRP CH2 C 13 124.151 0.008 . 1 . . . A 51 TRP CH2 . 19633 1 437 . 1 1 40 40 TRP N N 15 121.220 0.134 . 1 . . . A 51 TRP N . 19633 1 438 . 1 1 40 40 TRP NE1 N 15 127.701 0.000 . 1 . . . A 51 TRP NE1 . 19633 1 439 . 1 1 41 41 ARG H H 1 8.829 0.002 . 1 . . . A 52 ARG H . 19633 1 440 . 1 1 41 41 ARG HA H 1 3.472 0.002 . 1 . . . A 52 ARG HA . 19633 1 441 . 1 1 41 41 ARG HB2 H 1 1.508 0.012 . 2 . . . A 52 ARG HB2 . 19633 1 442 . 1 1 41 41 ARG HB3 H 1 1.061 0.006 . 2 . . . A 52 ARG HB3 . 19633 1 443 . 1 1 41 41 ARG HG2 H 1 1.426 0.015 . 2 . . . A 52 ARG HG2 . 19633 1 444 . 1 1 41 41 ARG HD2 H 1 3.166 0.016 . 2 . . . A 52 ARG HD2 . 19633 1 445 . 1 1 41 41 ARG HD3 H 1 3.131 0.008 . 2 . . . A 52 ARG HD3 . 19633 1 446 . 1 1 41 41 ARG C C 13 177.176 0.008 . 1 . . . A 52 ARG C . 19633 1 447 . 1 1 41 41 ARG CA C 13 59.421 0.124 . 1 . . . A 52 ARG CA . 19633 1 448 . 1 1 41 41 ARG CB C 13 29.386 0.050 . 1 . . . A 52 ARG CB . 19633 1 449 . 1 1 41 41 ARG CG C 13 27.176 0.076 . 1 . . . A 52 ARG CG . 19633 1 450 . 1 1 41 41 ARG CD C 13 43.735 0.019 . 1 . . . A 52 ARG CD . 19633 1 451 . 1 1 41 41 ARG N N 15 117.403 0.017 . 1 . . . A 52 ARG N . 19633 1 452 . 1 1 42 42 GLN H H 1 8.102 0.004 . 1 . . . A 53 GLN H . 19633 1 453 . 1 1 42 42 GLN HA H 1 3.928 0.006 . 1 . . . A 53 GLN HA . 19633 1 454 . 1 1 42 42 GLN HB2 H 1 2.165 0.009 . 2 . . . A 53 GLN HB2 . 19633 1 455 . 1 1 42 42 GLN HB3 H 1 2.055 0.005 . 2 . . . A 53 GLN HB3 . 19633 1 456 . 1 1 42 42 GLN HG2 H 1 2.506 0.020 . 2 . . . A 53 GLN HG2 . 19633 1 457 . 1 1 42 42 GLN HG3 H 1 2.436 0.009 . 2 . . . A 53 GLN HG3 . 19633 1 458 . 1 1 42 42 GLN HE21 H 1 7.510 0.002 . 2 . . . A 53 GLN HE21 . 19633 1 459 . 1 1 42 42 GLN HE22 H 1 6.801 0.004 . 2 . . . A 53 GLN HE22 . 19633 1 460 . 1 1 42 42 GLN C C 13 177.910 0.052 . 1 . . . A 53 GLN C . 19633 1 461 . 1 1 42 42 GLN CA C 13 59.160 0.060 . 1 . . . A 53 GLN CA . 19633 1 462 . 1 1 42 42 GLN CB C 13 28.214 0.145 . 1 . . . A 53 GLN CB . 19633 1 463 . 1 1 42 42 GLN CG C 13 33.595 0.061 . 1 . . . A 53 GLN CG . 19633 1 464 . 1 1 42 42 GLN N N 15 116.854 0.015 . 1 . . . A 53 GLN N . 19633 1 465 . 1 1 42 42 GLN NE2 N 15 111.199 0.143 . 1 . . . A 53 GLN NE2 . 19633 1 466 . 1 1 43 43 GLU H H 1 7.335 0.004 . 1 . . . A 54 GLU H . 19633 1 467 . 1 1 43 43 GLU HA H 1 4.035 0.002 . 1 . . . A 54 GLU HA . 19633 1 468 . 1 1 43 43 GLU HB3 H 1 2.204 0.008 . 2 . . . A 54 GLU HB3 . 19633 1 469 . 1 1 43 43 GLU HG2 H 1 2.389 0.014 . 2 . . . A 54 GLU HG2 . 19633 1 470 . 1 1 43 43 GLU HG3 H 1 1.742 0.007 . 2 . . . A 54 GLU HG3 . 19633 1 471 . 1 1 43 43 GLU C C 13 177.416 0.012 . 1 . . . A 54 GLU C . 19633 1 472 . 1 1 43 43 GLU CA C 13 58.554 0.038 . 1 . . . A 54 GLU CA . 19633 1 473 . 1 1 43 43 GLU CB C 13 29.089 0.067 . 1 . . . A 54 GLU CB . 19633 1 474 . 1 1 43 43 GLU CG C 13 35.662 0.024 . 1 . . . A 54 GLU CG . 19633 1 475 . 1 1 43 43 GLU N N 15 118.214 0.041 . 1 . . . A 54 GLU N . 19633 1 476 . 1 1 44 44 LEU H H 1 7.808 0.003 . 1 . . . A 55 LEU H . 19633 1 477 . 1 1 44 44 LEU HA H 1 3.719 0.005 . 1 . . . A 55 LEU HA . 19633 1 478 . 1 1 44 44 LEU HB2 H 1 1.092 0.002 . 2 . . . A 55 LEU HB2 . 19633 1 479 . 1 1 44 44 LEU HB3 H 1 0.876 0.003 . 2 . . . A 55 LEU HB3 . 19633 1 480 . 1 1 44 44 LEU HG H 1 0.606 0.003 . 1 . . . A 55 LEU HG . 19633 1 481 . 1 1 44 44 LEU HD11 H 1 -0.474 0.002 . 2 . . . A 55 LEU HD11 . 19633 1 482 . 1 1 44 44 LEU HD12 H 1 -0.474 0.002 . 2 . . . A 55 LEU HD12 . 19633 1 483 . 1 1 44 44 LEU HD13 H 1 -0.474 0.002 . 2 . . . A 55 LEU HD13 . 19633 1 484 . 1 1 44 44 LEU HD21 H 1 -0.136 0.002 . 2 . . . A 55 LEU HD21 . 19633 1 485 . 1 1 44 44 LEU HD22 H 1 -0.136 0.002 . 2 . . . A 55 LEU HD22 . 19633 1 486 . 1 1 44 44 LEU HD23 H 1 -0.136 0.002 . 2 . . . A 55 LEU HD23 . 19633 1 487 . 1 1 44 44 LEU C C 13 179.531 0.001 . 1 . . . A 55 LEU C . 19633 1 488 . 1 1 44 44 LEU CA C 13 58.197 0.074 . 1 . . . A 55 LEU CA . 19633 1 489 . 1 1 44 44 LEU CB C 13 40.950 0.016 . 1 . . . A 55 LEU CB . 19633 1 490 . 1 1 44 44 LEU CG C 13 28.960 0.037 . 1 . . . A 55 LEU CG . 19633 1 491 . 1 1 44 44 LEU CD1 C 13 23.796 0.026 . 1 . . . A 55 LEU CD1 . 19633 1 492 . 1 1 44 44 LEU CD2 C 13 22.981 0.033 . 1 . . . A 55 LEU CD2 . 19633 1 493 . 1 1 44 44 LEU N N 15 117.158 0.046 . 1 . . . A 55 LEU N . 19633 1 494 . 1 1 45 45 LYS H H 1 9.053 0.002 . 1 . . . A 56 LYS H . 19633 1 495 . 1 1 45 45 LYS HA H 1 4.152 0.004 . 1 . . . A 56 LYS HA . 19633 1 496 . 1 1 45 45 LYS HB2 H 1 1.847 0.002 . 2 . . . A 56 LYS HB2 . 19633 1 497 . 1 1 45 45 LYS HG2 H 1 1.468 0.008 . 2 . . . A 56 LYS HG2 . 19633 1 498 . 1 1 45 45 LYS HD2 H 1 1.692 0.013 . 2 . . . A 56 LYS HD2 . 19633 1 499 . 1 1 45 45 LYS HD3 H 1 1.613 0.008 . 2 . . . A 56 LYS HD3 . 19633 1 500 . 1 1 45 45 LYS HE2 H 1 2.989 0.010 . 2 . . . A 56 LYS HE2 . 19633 1 501 . 1 1 45 45 LYS HE3 H 1 2.929 0.005 . 2 . . . A 56 LYS HE3 . 19633 1 502 . 1 1 45 45 LYS C C 13 180.894 0.006 . 1 . . . A 56 LYS C . 19633 1 503 . 1 1 45 45 LYS CA C 13 59.120 0.039 . 1 . . . A 56 LYS CA . 19633 1 504 . 1 1 45 45 LYS CB C 13 30.939 0.041 . 1 . . . A 56 LYS CB . 19633 1 505 . 1 1 45 45 LYS CG C 13 24.578 0.084 . 1 . . . A 56 LYS CG . 19633 1 506 . 1 1 45 45 LYS CD C 13 28.092 0.060 . 1 . . . A 56 LYS CD . 19633 1 507 . 1 1 45 45 LYS CE C 13 41.663 0.026 . 1 . . . A 56 LYS CE . 19633 1 508 . 1 1 45 45 LYS N N 15 122.361 0.041 . 1 . . . A 56 LYS N . 19633 1 509 . 1 1 46 46 CYS H H 1 7.613 0.003 . 1 . . . A 57 CYS H . 19633 1 510 . 1 1 46 46 CYS HA H 1 4.272 0.002 . 1 . . . A 57 CYS HA . 19633 1 511 . 1 1 46 46 CYS HB2 H 1 3.110 0.003 . 2 . . . A 57 CYS HB2 . 19633 1 512 . 1 1 46 46 CYS HB3 H 1 3.028 0.002 . 2 . . . A 57 CYS HB3 . 19633 1 513 . 1 1 46 46 CYS C C 13 175.341 0.043 . 1 . . . A 57 CYS C . 19633 1 514 . 1 1 46 46 CYS CA C 13 62.333 0.076 . 1 . . . A 57 CYS CA . 19633 1 515 . 1 1 46 46 CYS CB C 13 26.138 0.020 . 1 . . . A 57 CYS CB . 19633 1 516 . 1 1 46 46 CYS N N 15 119.075 0.035 . 1 . . . A 57 CYS N . 19633 1 517 . 1 1 47 47 ARG H H 1 7.015 0.004 . 1 . . . A 58 ARG H . 19633 1 518 . 1 1 47 47 ARG HA H 1 4.284 0.001 . 1 . . . A 58 ARG HA . 19633 1 519 . 1 1 47 47 ARG HB2 H 1 2.501 0.007 . 2 . . . A 58 ARG HB2 . 19633 1 520 . 1 1 47 47 ARG HB3 H 1 1.510 0.003 . 2 . . . A 58 ARG HB3 . 19633 1 521 . 1 1 47 47 ARG HG2 H 1 1.642 0.014 . 2 . . . A 58 ARG HG2 . 19633 1 522 . 1 1 47 47 ARG HG3 H 1 1.717 0.006 . 2 . . . A 58 ARG HG3 . 19633 1 523 . 1 1 47 47 ARG HD2 H 1 3.323 0.005 . 2 . . . A 58 ARG HD2 . 19633 1 524 . 1 1 47 47 ARG HD3 H 1 2.685 0.007 . 2 . . . A 58 ARG HD3 . 19633 1 525 . 1 1 47 47 ARG C C 13 175.407 0.008 . 1 . . . A 58 ARG C . 19633 1 526 . 1 1 47 47 ARG CA C 13 56.137 0.024 . 1 . . . A 58 ARG CA . 19633 1 527 . 1 1 47 47 ARG CB C 13 31.128 0.062 . 1 . . . A 58 ARG CB . 19633 1 528 . 1 1 47 47 ARG CG C 13 28.961 0.015 . 1 . . . A 58 ARG CG . 19633 1 529 . 1 1 47 47 ARG CD C 13 43.396 0.028 . 1 . . . A 58 ARG CD . 19633 1 530 . 1 1 47 47 ARG N N 15 117.365 0.020 . 1 . . . A 58 ARG N . 19633 1 531 . 1 1 48 48 GLY H H 1 7.709 0.004 . 1 . . . A 59 GLY H . 19633 1 532 . 1 1 48 48 GLY HA2 H 1 4.069 0.008 . 2 . . . A 59 GLY HA2 . 19633 1 533 . 1 1 48 48 GLY HA3 H 1 3.763 0.006 . 2 . . . A 59 GLY HA3 . 19633 1 534 . 1 1 48 48 GLY C C 13 174.308 0.020 . 1 . . . A 59 GLY C . 19633 1 535 . 1 1 48 48 GLY CA C 13 45.858 0.285 . 1 . . . A 59 GLY CA . 19633 1 536 . 1 1 48 48 GLY N N 15 106.720 0.047 . 1 . . . A 59 GLY N . 19633 1 537 . 1 1 49 49 HIS H H 1 7.755 0.003 . 1 . . . A 60 HIS H . 19633 1 538 . 1 1 49 49 HIS HA H 1 4.358 0.013 . 1 . . . A 60 HIS HA . 19633 1 539 . 1 1 49 49 HIS HB2 H 1 2.932 0.007 . 2 . . . A 60 HIS HB2 . 19633 1 540 . 1 1 49 49 HIS HB3 H 1 2.518 0.011 . 2 . . . A 60 HIS HB3 . 19633 1 541 . 1 1 49 49 HIS HD2 H 1 6.893 0.001 . 1 . . . A 60 HIS HD2 . 19633 1 542 . 1 1 49 49 HIS C C 13 173.943 0.013 . 1 . . . A 60 HIS C . 19633 1 543 . 1 1 49 49 HIS CA C 13 56.935 0.026 . 1 . . . A 60 HIS CA . 19633 1 544 . 1 1 49 49 HIS CB C 13 31.979 0.023 . 1 . . . A 60 HIS CB . 19633 1 545 . 1 1 49 49 HIS CD2 C 13 117.483 0.073 . 1 . . . A 60 HIS CD2 . 19633 1 546 . 1 1 49 49 HIS N N 15 119.631 0.030 . 1 . . . A 60 HIS N . 19633 1 547 . 1 1 50 50 ALA H H 1 9.006 0.001 . 1 . . . A 61 ALA H . 19633 1 548 . 1 1 50 50 ALA HA H 1 4.401 0.003 . 1 . . . A 61 ALA HA . 19633 1 549 . 1 1 50 50 ALA HB1 H 1 1.568 0.001 . 1 . . . A 61 ALA HB1 . 19633 1 550 . 1 1 50 50 ALA HB2 H 1 1.568 0.001 . 1 . . . A 61 ALA HB2 . 19633 1 551 . 1 1 50 50 ALA HB3 H 1 1.568 0.001 . 1 . . . A 61 ALA HB3 . 19633 1 552 . 1 1 50 50 ALA C C 13 178.070 0.033 . 1 . . . A 61 ALA C . 19633 1 553 . 1 1 50 50 ALA CA C 13 51.535 0.052 . 1 . . . A 61 ALA CA . 19633 1 554 . 1 1 50 50 ALA CB C 13 19.539 0.011 . 1 . . . A 61 ALA CB . 19633 1 555 . 1 1 50 50 ALA N N 15 124.465 0.027 . 1 . . . A 61 ALA N . 19633 1 556 . 1 1 51 51 ASP H H 1 8.821 0.003 . 1 . . . A 62 ASP H . 19633 1 557 . 1 1 51 51 ASP HA H 1 4.352 0.006 . 1 . . . A 62 ASP HA . 19633 1 558 . 1 1 51 51 ASP HB2 H 1 2.771 0.003 . 2 . . . A 62 ASP HB2 . 19633 1 559 . 1 1 51 51 ASP HB3 H 1 2.622 0.002 . 2 . . . A 62 ASP HB3 . 19633 1 560 . 1 1 51 51 ASP C C 13 177.766 0.004 . 1 . . . A 62 ASP C . 19633 1 561 . 1 1 51 51 ASP CA C 13 58.374 0.029 . 1 . . . A 62 ASP CA . 19633 1 562 . 1 1 51 51 ASP CB C 13 40.571 0.026 . 1 . . . A 62 ASP CB . 19633 1 563 . 1 1 51 51 ASP N N 15 122.759 0.034 . 1 . . . A 62 ASP N . 19633 1 564 . 1 1 52 52 ALA H H 1 8.954 0.002 . 1 . . . A 63 ALA H . 19633 1 565 . 1 1 52 52 ALA HA H 1 4.210 0.002 . 1 . . . A 63 ALA HA . 19633 1 566 . 1 1 52 52 ALA HB1 H 1 1.452 0.002 . 1 . . . A 63 ALA HB1 . 19633 1 567 . 1 1 52 52 ALA HB2 H 1 1.452 0.002 . 1 . . . A 63 ALA HB2 . 19633 1 568 . 1 1 52 52 ALA HB3 H 1 1.452 0.002 . 1 . . . A 63 ALA HB3 . 19633 1 569 . 1 1 52 52 ALA C C 13 179.880 0.002 . 1 . . . A 63 ALA C . 19633 1 570 . 1 1 52 52 ALA CA C 13 55.418 0.039 . 1 . . . A 63 ALA CA . 19633 1 571 . 1 1 52 52 ALA CB C 13 18.429 0.021 . 1 . . . A 63 ALA CB . 19633 1 572 . 1 1 52 52 ALA N N 15 119.694 0.028 . 1 . . . A 63 ALA N . 19633 1 573 . 1 1 53 53 ASP H H 1 7.099 0.004 . 1 . . . A 64 ASP H . 19633 1 574 . 1 1 53 53 ASP HA H 1 4.653 0.002 . 1 . . . A 64 ASP HA . 19633 1 575 . 1 1 53 53 ASP HB2 H 1 2.899 0.001 . 2 . . . A 64 ASP HB2 . 19633 1 576 . 1 1 53 53 ASP C C 13 176.980 0.002 . 1 . . . A 64 ASP C . 19633 1 577 . 1 1 53 53 ASP CA C 13 57.036 0.028 . 1 . . . A 64 ASP CA . 19633 1 578 . 1 1 53 53 ASP CB C 13 41.202 0.031 . 1 . . . A 64 ASP CB . 19633 1 579 . 1 1 53 53 ASP N N 15 117.916 0.022 . 1 . . . A 64 ASP N . 19633 1 580 . 1 1 54 54 ILE H H 1 8.080 0.002 . 1 . . . A 65 ILE H . 19633 1 581 . 1 1 54 54 ILE HA H 1 3.586 0.001 . 1 . . . A 65 ILE HA . 19633 1 582 . 1 1 54 54 ILE HB H 1 2.235 0.005 . 1 . . . A 65 ILE HB . 19633 1 583 . 1 1 54 54 ILE HG12 H 1 1.851 0.005 . 2 . . . A 65 ILE HG12 . 19633 1 584 . 1 1 54 54 ILE HG13 H 1 0.674 0.011 . 2 . . . A 65 ILE HG13 . 19633 1 585 . 1 1 54 54 ILE HG21 H 1 0.925 0.004 . 1 . . . A 65 ILE HG21 . 19633 1 586 . 1 1 54 54 ILE HG22 H 1 0.925 0.004 . 1 . . . A 65 ILE HG22 . 19633 1 587 . 1 1 54 54 ILE HG23 H 1 0.925 0.004 . 1 . . . A 65 ILE HG23 . 19633 1 588 . 1 1 54 54 ILE HD11 H 1 0.691 0.007 . 1 . . . A 65 ILE HD11 . 19633 1 589 . 1 1 54 54 ILE HD12 H 1 0.691 0.007 . 1 . . . A 65 ILE HD12 . 19633 1 590 . 1 1 54 54 ILE HD13 H 1 0.691 0.007 . 1 . . . A 65 ILE HD13 . 19633 1 591 . 1 1 54 54 ILE C C 13 178.703 0.016 . 1 . . . A 65 ILE C . 19633 1 592 . 1 1 54 54 ILE CA C 13 66.401 0.069 . 1 . . . A 65 ILE CA . 19633 1 593 . 1 1 54 54 ILE CB C 13 38.499 0.033 . 1 . . . A 65 ILE CB . 19633 1 594 . 1 1 54 54 ILE CG1 C 13 28.952 0.025 . 1 . . . A 65 ILE CG1 . 19633 1 595 . 1 1 54 54 ILE CG2 C 13 18.163 0.088 . 1 . . . A 65 ILE CG2 . 19633 1 596 . 1 1 54 54 ILE CD1 C 13 13.775 0.118 . 1 . . . A 65 ILE CD1 . 19633 1 597 . 1 1 54 54 ILE N N 15 120.397 0.063 . 1 . . . A 65 ILE N . 19633 1 598 . 1 1 55 55 GLU H H 1 8.165 0.006 . 1 . . . A 66 GLU H . 19633 1 599 . 1 1 55 55 GLU HA H 1 4.387 0.004 . 1 . . . A 66 GLU HA . 19633 1 600 . 1 1 55 55 GLU HB2 H 1 2.273 0.005 . 2 . . . A 66 GLU HB2 . 19633 1 601 . 1 1 55 55 GLU HB3 H 1 2.086 0.008 . 2 . . . A 66 GLU HB3 . 19633 1 602 . 1 1 55 55 GLU HG2 H 1 2.365 0.002 . 2 . . . A 66 GLU HG2 . 19633 1 603 . 1 1 55 55 GLU C C 13 177.375 0.028 . 1 . . . A 66 GLU C . 19633 1 604 . 1 1 55 55 GLU CA C 13 59.366 0.051 . 1 . . . A 66 GLU CA . 19633 1 605 . 1 1 55 55 GLU CB C 13 30.049 0.176 . 1 . . . A 66 GLU CB . 19633 1 606 . 1 1 55 55 GLU CG C 13 35.698 0.019 . 1 . . . A 66 GLU CG . 19633 1 607 . 1 1 55 55 GLU N N 15 117.963 0.086 . 1 . . . A 66 GLU N . 19633 1 608 . 1 1 56 56 ALA H H 1 8.077 0.007 . 1 . . . A 67 ALA H . 19633 1 609 . 1 1 56 56 ALA HA H 1 4.236 0.004 . 1 . . . A 67 ALA HA . 19633 1 610 . 1 1 56 56 ALA HB1 H 1 1.651 0.000 . 1 . . . A 67 ALA HB1 . 19633 1 611 . 1 1 56 56 ALA HB2 H 1 1.651 0.000 . 1 . . . A 67 ALA HB2 . 19633 1 612 . 1 1 56 56 ALA HB3 H 1 1.651 0.000 . 1 . . . A 67 ALA HB3 . 19633 1 613 . 1 1 56 56 ALA C C 13 180.744 0.000 . 1 . . . A 67 ALA C . 19633 1 614 . 1 1 56 56 ALA CA C 13 55.636 0.068 . 1 . . . A 67 ALA CA . 19633 1 615 . 1 1 56 56 ALA CB C 13 18.831 0.020 . 1 . . . A 67 ALA CB . 19633 1 616 . 1 1 56 56 ALA N N 15 120.960 0.097 . 1 . . . A 67 ALA N . 19633 1 617 . 1 1 57 57 VAL H H 1 8.372 0.002 . 1 . . . A 68 VAL H . 19633 1 618 . 1 1 57 57 VAL HA H 1 3.888 0.003 . 1 . . . A 68 VAL HA . 19633 1 619 . 1 1 57 57 VAL HB H 1 2.402 0.002 . 1 . . . A 68 VAL HB . 19633 1 620 . 1 1 57 57 VAL HG11 H 1 1.350 0.003 . 2 . . . A 68 VAL HG11 . 19633 1 621 . 1 1 57 57 VAL HG12 H 1 1.350 0.003 . 2 . . . A 68 VAL HG12 . 19633 1 622 . 1 1 57 57 VAL HG13 H 1 1.350 0.003 . 2 . . . A 68 VAL HG13 . 19633 1 623 . 1 1 57 57 VAL HG21 H 1 1.358 0.003 . 2 . . . A 68 VAL HG21 . 19633 1 624 . 1 1 57 57 VAL HG22 H 1 1.358 0.003 . 2 . . . A 68 VAL HG22 . 19633 1 625 . 1 1 57 57 VAL HG23 H 1 1.358 0.003 . 2 . . . A 68 VAL HG23 . 19633 1 626 . 1 1 57 57 VAL C C 13 175.871 0.022 . 1 . . . A 68 VAL C . 19633 1 627 . 1 1 57 57 VAL CA C 13 66.475 0.068 . 1 . . . A 68 VAL CA . 19633 1 628 . 1 1 57 57 VAL CB C 13 32.470 0.029 . 1 . . . A 68 VAL CB . 19633 1 629 . 1 1 57 57 VAL CG1 C 13 23.373 0.041 . 1 . . . A 68 VAL CG1 . 19633 1 630 . 1 1 57 57 VAL CG2 C 13 22.456 0.041 . 1 . . . A 68 VAL CG2 . 19633 1 631 . 1 1 57 57 VAL N N 15 117.138 0.043 . 1 . . . A 68 VAL N . 19633 1 632 . 1 1 58 58 PHE H H 1 7.302 0.004 . 1 . . . A 69 PHE H . 19633 1 633 . 1 1 58 58 PHE HA H 1 3.349 0.003 . 1 . . . A 69 PHE HA . 19633 1 634 . 1 1 58 58 PHE HB2 H 1 3.270 0.011 . 2 . . . A 69 PHE HB2 . 19633 1 635 . 1 1 58 58 PHE HB3 H 1 2.999 0.004 . 2 . . . A 69 PHE HB3 . 19633 1 636 . 1 1 58 58 PHE HD1 H 1 6.274 0.001 . 1 . . . A 69 PHE HD1 . 19633 1 637 . 1 1 58 58 PHE HD2 H 1 6.274 0.001 . 1 . . . A 69 PHE HD2 . 19633 1 638 . 1 1 58 58 PHE HE1 H 1 6.883 0.010 . 1 . . . A 69 PHE HE1 . 19633 1 639 . 1 1 58 58 PHE HE2 H 1 6.883 0.010 . 1 . . . A 69 PHE HE2 . 19633 1 640 . 1 1 58 58 PHE HZ H 1 6.953 0.000 . 1 . . . A 69 PHE HZ . 19633 1 641 . 1 1 58 58 PHE C C 13 176.386 0.007 . 1 . . . A 69 PHE C . 19633 1 642 . 1 1 58 58 PHE CA C 13 62.485 0.019 . 1 . . . A 69 PHE CA . 19633 1 643 . 1 1 58 58 PHE CB C 13 40.002 0.020 . 1 . . . A 69 PHE CB . 19633 1 644 . 1 1 58 58 PHE CD2 C 13 131.426 0.018 . 1 . . . A 69 PHE CD2 . 19633 1 645 . 1 1 58 58 PHE CE2 C 13 129.542 0.021 . 1 . . . A 69 PHE CE2 . 19633 1 646 . 1 1 58 58 PHE CZ C 13 128.067 0.017 . 1 . . . A 69 PHE CZ . 19633 1 647 . 1 1 58 58 PHE N N 15 118.918 0.034 . 1 . . . A 69 PHE N . 19633 1 648 . 1 1 59 59 ALA H H 1 8.567 0.001 . 1 . . . A 70 ALA H . 19633 1 649 . 1 1 59 59 ALA HA H 1 4.118 0.002 . 1 . . . A 70 ALA HA . 19633 1 650 . 1 1 59 59 ALA HB1 H 1 1.538 0.001 . 1 . . . A 70 ALA HB1 . 19633 1 651 . 1 1 59 59 ALA HB2 H 1 1.538 0.001 . 1 . . . A 70 ALA HB2 . 19633 1 652 . 1 1 59 59 ALA HB3 H 1 1.538 0.001 . 1 . . . A 70 ALA HB3 . 19633 1 653 . 1 1 59 59 ALA C C 13 179.117 0.002 . 1 . . . A 70 ALA C . 19633 1 654 . 1 1 59 59 ALA CA C 13 54.509 0.038 . 1 . . . A 70 ALA CA . 19633 1 655 . 1 1 59 59 ALA CB C 13 18.233 0.022 . 1 . . . A 70 ALA CB . 19633 1 656 . 1 1 59 59 ALA N N 15 116.542 0.026 . 1 . . . A 70 ALA N . 19633 1 657 . 1 1 60 60 LYS H H 1 7.352 0.003 . 1 . . . A 71 LYS H . 19633 1 658 . 1 1 60 60 LYS HA H 1 3.768 0.003 . 1 . . . A 71 LYS HA . 19633 1 659 . 1 1 60 60 LYS HB2 H 1 1.701 0.000 . 2 . . . A 71 LYS HB2 . 19633 1 660 . 1 1 60 60 LYS HG2 H 1 0.976 0.001 . 2 . . . A 71 LYS HG2 . 19633 1 661 . 1 1 60 60 LYS HG3 H 1 0.365 0.002 . 2 . . . A 71 LYS HG3 . 19633 1 662 . 1 1 60 60 LYS HD2 H 1 1.512 0.001 . 2 . . . A 71 LYS HD2 . 19633 1 663 . 1 1 60 60 LYS HD3 H 1 1.445 0.004 . 2 . . . A 71 LYS HD3 . 19633 1 664 . 1 1 60 60 LYS HE2 H 1 2.818 0.002 . 2 . . . A 71 LYS HE2 . 19633 1 665 . 1 1 60 60 LYS HE3 H 1 2.773 0.007 . 2 . . . A 71 LYS HE3 . 19633 1 666 . 1 1 60 60 LYS C C 13 176.435 0.012 . 1 . . . A 71 LYS C . 19633 1 667 . 1 1 60 60 LYS CA C 13 58.544 0.085 . 1 . . . A 71 LYS CA . 19633 1 668 . 1 1 60 60 LYS CB C 13 32.317 0.033 . 1 . . . A 71 LYS CB . 19633 1 669 . 1 1 60 60 LYS CG C 13 24.597 0.073 . 1 . . . A 71 LYS CG . 19633 1 670 . 1 1 60 60 LYS CD C 13 29.392 0.014 . 1 . . . A 71 LYS CD . 19633 1 671 . 1 1 60 60 LYS CE C 13 42.242 0.024 . 1 . . . A 71 LYS CE . 19633 1 672 . 1 1 60 60 LYS N N 15 116.072 0.018 . 1 . . . A 71 LYS N . 19633 1 673 . 1 1 61 61 TYR H H 1 6.797 0.005 . 1 . . . A 72 TYR H . 19633 1 674 . 1 1 61 61 TYR HA H 1 4.243 0.002 . 1 . . . A 72 TYR HA . 19633 1 675 . 1 1 61 61 TYR HB2 H 1 3.015 0.004 . 2 . . . A 72 TYR HB2 . 19633 1 676 . 1 1 61 61 TYR HB3 H 1 2.130 0.008 . 2 . . . A 72 TYR HB3 . 19633 1 677 . 1 1 61 61 TYR HD1 H 1 7.439 0.003 . 1 . . . A 72 TYR HD1 . 19633 1 678 . 1 1 61 61 TYR HD2 H 1 7.439 0.003 . 1 . . . A 72 TYR HD2 . 19633 1 679 . 1 1 61 61 TYR HE1 H 1 6.739 0.004 . 1 . . . A 72 TYR HE1 . 19633 1 680 . 1 1 61 61 TYR HE2 H 1 6.739 0.004 . 1 . . . A 72 TYR HE2 . 19633 1 681 . 1 1 61 61 TYR C C 13 174.345 0.008 . 1 . . . A 72 TYR C . 19633 1 682 . 1 1 61 61 TYR CA C 13 59.557 0.022 . 1 . . . A 72 TYR CA . 19633 1 683 . 1 1 61 61 TYR CB C 13 39.485 0.195 . 1 . . . A 72 TYR CB . 19633 1 684 . 1 1 61 61 TYR CD2 C 13 133.183 0.004 . 1 . . . A 72 TYR CD2 . 19633 1 685 . 1 1 61 61 TYR CE2 C 13 115.912 0.003 . 1 . . . A 72 TYR CE2 . 19633 1 686 . 1 1 61 61 TYR N N 15 113.508 0.026 . 1 . . . A 72 TYR N . 19633 1 687 . 1 1 62 62 ASP H H 1 7.467 0.002 . 1 . . . A 73 ASP H . 19633 1 688 . 1 1 62 62 ASP HA H 1 4.600 0.004 . 1 . . . A 73 ASP HA . 19633 1 689 . 1 1 62 62 ASP HB2 H 1 2.577 0.003 . 2 . . . A 73 ASP HB2 . 19633 1 690 . 1 1 62 62 ASP HB3 H 1 1.785 0.001 . 2 . . . A 73 ASP HB3 . 19633 1 691 . 1 1 62 62 ASP C C 13 177.003 0.026 . 1 . . . A 73 ASP C . 19633 1 692 . 1 1 62 62 ASP CA C 13 52.501 0.036 . 1 . . . A 73 ASP CA . 19633 1 693 . 1 1 62 62 ASP CB C 13 39.143 0.181 . 1 . . . A 73 ASP CB . 19633 1 694 . 1 1 62 62 ASP N N 15 121.763 0.021 . 1 . . . A 73 ASP N . 19633 1 695 . 1 1 63 63 VAL H H 1 7.806 0.005 . 1 . . . A 74 VAL H . 19633 1 696 . 1 1 63 63 VAL HA H 1 3.694 0.001 . 1 . . . A 74 VAL HA . 19633 1 697 . 1 1 63 63 VAL HB H 1 2.147 0.002 . 1 . . . A 74 VAL HB . 19633 1 698 . 1 1 63 63 VAL HG11 H 1 0.960 0.004 . 2 . . . A 74 VAL HG11 . 19633 1 699 . 1 1 63 63 VAL HG12 H 1 0.960 0.004 . 2 . . . A 74 VAL HG12 . 19633 1 700 . 1 1 63 63 VAL HG13 H 1 0.960 0.004 . 2 . . . A 74 VAL HG13 . 19633 1 701 . 1 1 63 63 VAL HG21 H 1 1.045 0.009 . 2 . . . A 74 VAL HG21 . 19633 1 702 . 1 1 63 63 VAL HG22 H 1 1.045 0.009 . 2 . . . A 74 VAL HG22 . 19633 1 703 . 1 1 63 63 VAL HG23 H 1 1.045 0.009 . 2 . . . A 74 VAL HG23 . 19633 1 704 . 1 1 63 63 VAL C C 13 177.063 0.144 . 1 . . . A 74 VAL C . 19633 1 705 . 1 1 63 63 VAL CA C 13 65.443 0.059 . 1 . . . A 74 VAL CA . 19633 1 706 . 1 1 63 63 VAL CB C 13 31.830 0.034 . 1 . . . A 74 VAL CB . 19633 1 707 . 1 1 63 63 VAL CG1 C 13 21.612 0.024 . 1 . . . A 74 VAL CG1 . 19633 1 708 . 1 1 63 63 VAL CG2 C 13 21.237 0.048 . 1 . . . A 74 VAL CG2 . 19633 1 709 . 1 1 63 63 VAL N N 15 123.097 0.023 . 1 . . . A 74 VAL N . 19633 1 710 . 1 1 64 64 ASP H H 1 7.994 0.005 . 1 . . . A 75 ASP H . 19633 1 711 . 1 1 64 64 ASP HA H 1 4.591 0.002 . 1 . . . A 75 ASP HA . 19633 1 712 . 1 1 64 64 ASP HB2 H 1 3.016 0.004 . 2 . . . A 75 ASP HB2 . 19633 1 713 . 1 1 64 64 ASP HB3 H 1 2.611 0.003 . 2 . . . A 75 ASP HB3 . 19633 1 714 . 1 1 64 64 ASP C C 13 177.265 0.004 . 1 . . . A 75 ASP C . 19633 1 715 . 1 1 64 64 ASP CA C 13 52.888 0.036 . 1 . . . A 75 ASP CA . 19633 1 716 . 1 1 64 64 ASP CB C 13 39.712 0.057 . 1 . . . A 75 ASP CB . 19633 1 717 . 1 1 64 64 ASP N N 15 115.890 0.020 . 1 . . . A 75 ASP N . 19633 1 718 . 1 1 65 65 GLY H H 1 7.494 0.003 . 1 . . . A 76 GLY H . 19633 1 719 . 1 1 65 65 GLY HA2 H 1 3.877 0.001 . 2 . . . A 76 GLY HA2 . 19633 1 720 . 1 1 65 65 GLY HA3 H 1 3.800 0.003 . 2 . . . A 76 GLY HA3 . 19633 1 721 . 1 1 65 65 GLY C C 13 174.058 0.007 . 1 . . . A 76 GLY C . 19633 1 722 . 1 1 65 65 GLY CA C 13 47.482 0.128 . 1 . . . A 76 GLY CA . 19633 1 723 . 1 1 65 65 GLY N N 15 108.483 0.013 . 1 . . . A 76 GLY N . 19633 1 724 . 1 1 66 66 ASP H H 1 8.169 0.003 . 1 . . . A 77 ASP H . 19633 1 725 . 1 1 66 66 ASP HA H 1 4.482 0.003 . 1 . . . A 77 ASP HA . 19633 1 726 . 1 1 66 66 ASP HB2 H 1 3.005 0.008 . 2 . . . A 77 ASP HB2 . 19633 1 727 . 1 1 66 66 ASP HB3 H 1 2.387 0.002 . 2 . . . A 77 ASP HB3 . 19633 1 728 . 1 1 66 66 ASP C C 13 175.620 0.007 . 1 . . . A 77 ASP C . 19633 1 729 . 1 1 66 66 ASP CA C 13 53.702 0.028 . 1 . . . A 77 ASP CA . 19633 1 730 . 1 1 66 66 ASP CB C 13 40.157 0.099 . 1 . . . A 77 ASP CB . 19633 1 731 . 1 1 66 66 ASP N N 15 120.352 0.039 . 1 . . . A 77 ASP N . 19633 1 732 . 1 1 67 67 ARG H H 1 10.455 0.003 . 1 . . . A 78 ARG H . 19633 1 733 . 1 1 67 67 ARG HA H 1 3.867 0.007 . 1 . . . A 78 ARG HA . 19633 1 734 . 1 1 67 67 ARG HB2 H 1 2.323 0.003 . 2 . . . A 78 ARG HB2 . 19633 1 735 . 1 1 67 67 ARG HB3 H 1 2.120 0.014 . 2 . . . A 78 ARG HB3 . 19633 1 736 . 1 1 67 67 ARG HG2 H 1 1.689 0.008 . 2 . . . A 78 ARG HG2 . 19633 1 737 . 1 1 67 67 ARG HG3 H 1 1.592 0.005 . 2 . . . A 78 ARG HG3 . 19633 1 738 . 1 1 67 67 ARG HD2 H 1 3.061 0.006 . 2 . . . A 78 ARG HD2 . 19633 1 739 . 1 1 67 67 ARG C C 13 174.695 0.059 . 1 . . . A 78 ARG C . 19633 1 740 . 1 1 67 67 ARG CA C 13 55.788 0.084 . 1 . . . A 78 ARG CA . 19633 1 741 . 1 1 67 67 ARG CB C 13 25.034 0.078 . 1 . . . A 78 ARG CB . 19633 1 742 . 1 1 67 67 ARG CG C 13 26.015 0.014 . 1 . . . A 78 ARG CG . 19633 1 743 . 1 1 67 67 ARG CD C 13 41.654 0.032 . 1 . . . A 78 ARG CD . 19633 1 744 . 1 1 67 67 ARG N N 15 115.656 0.045 . 1 . . . A 78 ARG N . 19633 1 745 . 1 1 68 68 VAL H H 1 8.031 0.004 . 1 . . . A 79 VAL H . 19633 1 746 . 1 1 68 68 VAL HA H 1 4.678 0.002 . 1 . . . A 79 VAL HA . 19633 1 747 . 1 1 68 68 VAL HB H 1 2.057 0.004 . 1 . . . A 79 VAL HB . 19633 1 748 . 1 1 68 68 VAL HG11 H 1 0.772 0.003 . 2 . . . A 79 VAL HG11 . 19633 1 749 . 1 1 68 68 VAL HG12 H 1 0.772 0.003 . 2 . . . A 79 VAL HG12 . 19633 1 750 . 1 1 68 68 VAL HG13 H 1 0.772 0.003 . 2 . . . A 79 VAL HG13 . 19633 1 751 . 1 1 68 68 VAL HG21 H 1 0.882 0.001 . 2 . . . A 79 VAL HG21 . 19633 1 752 . 1 1 68 68 VAL HG22 H 1 0.882 0.001 . 2 . . . A 79 VAL HG22 . 19633 1 753 . 1 1 68 68 VAL HG23 H 1 0.882 0.001 . 2 . . . A 79 VAL HG23 . 19633 1 754 . 1 1 68 68 VAL C C 13 174.286 0.010 . 1 . . . A 79 VAL C . 19633 1 755 . 1 1 68 68 VAL CA C 13 61.194 0.335 . 1 . . . A 79 VAL CA . 19633 1 756 . 1 1 68 68 VAL CB C 13 36.221 0.043 . 1 . . . A 79 VAL CB . 19633 1 757 . 1 1 68 68 VAL CG1 C 13 22.502 0.041 . 1 . . . A 79 VAL CG1 . 19633 1 758 . 1 1 68 68 VAL CG2 C 13 21.651 0.024 . 1 . . . A 79 VAL CG2 . 19633 1 759 . 1 1 68 68 VAL N N 15 118.797 0.040 . 1 . . . A 79 VAL N . 19633 1 760 . 1 1 69 69 LEU H H 1 9.281 0.003 . 1 . . . A 80 LEU H . 19633 1 761 . 1 1 69 69 LEU HA H 1 5.448 0.004 . 1 . . . A 80 LEU HA . 19633 1 762 . 1 1 69 69 LEU HB2 H 1 1.851 0.001 . 2 . . . A 80 LEU HB2 . 19633 1 763 . 1 1 69 69 LEU HB3 H 1 0.922 0.003 . 2 . . . A 80 LEU HB3 . 19633 1 764 . 1 1 69 69 LEU HG H 1 0.987 0.004 . 1 . . . A 80 LEU HG . 19633 1 765 . 1 1 69 69 LEU HD11 H 1 0.014 0.002 . 2 . . . A 80 LEU HD11 . 19633 1 766 . 1 1 69 69 LEU HD12 H 1 0.014 0.002 . 2 . . . A 80 LEU HD12 . 19633 1 767 . 1 1 69 69 LEU HD13 H 1 0.014 0.002 . 2 . . . A 80 LEU HD13 . 19633 1 768 . 1 1 69 69 LEU HD21 H 1 -0.036 0.001 . 2 . . . A 80 LEU HD21 . 19633 1 769 . 1 1 69 69 LEU HD22 H 1 -0.036 0.001 . 2 . . . A 80 LEU HD22 . 19633 1 770 . 1 1 69 69 LEU HD23 H 1 -0.036 0.001 . 2 . . . A 80 LEU HD23 . 19633 1 771 . 1 1 69 69 LEU C C 13 176.805 0.012 . 1 . . . A 80 LEU C . 19633 1 772 . 1 1 69 69 LEU CA C 13 52.343 0.112 . 1 . . . A 80 LEU CA . 19633 1 773 . 1 1 69 69 LEU CB C 13 42.241 0.023 . 1 . . . A 80 LEU CB . 19633 1 774 . 1 1 69 69 LEU CG C 13 25.617 0.110 . 1 . . . A 80 LEU CG . 19633 1 775 . 1 1 69 69 LEU CD1 C 13 25.879 0.030 . 1 . . . A 80 LEU CD1 . 19633 1 776 . 1 1 69 69 LEU CD2 C 13 22.400 0.033 . 1 . . . A 80 LEU CD2 . 19633 1 777 . 1 1 69 69 LEU N N 15 126.993 0.042 . 1 . . . A 80 LEU N . 19633 1 778 . 1 1 70 70 ASP H H 1 9.641 0.005 . 1 . . . A 81 ASP H . 19633 1 779 . 1 1 70 70 ASP HA H 1 4.399 0.003 . 1 . . . A 81 ASP HA . 19633 1 780 . 1 1 70 70 ASP HB2 H 1 3.207 0.002 . 2 . . . A 81 ASP HB2 . 19633 1 781 . 1 1 70 70 ASP HB3 H 1 2.714 0.006 . 2 . . . A 81 ASP HB3 . 19633 1 782 . 1 1 70 70 ASP C C 13 174.998 0.011 . 1 . . . A 81 ASP C . 19633 1 783 . 1 1 70 70 ASP CA C 13 52.548 0.033 . 1 . . . A 81 ASP CA . 19633 1 784 . 1 1 70 70 ASP CB C 13 40.266 0.025 . 1 . . . A 81 ASP CB . 19633 1 785 . 1 1 70 70 ASP N N 15 130.050 0.037 . 1 . . . A 81 ASP N . 19633 1 786 . 1 1 71 71 ALA H H 1 8.685 0.004 . 1 . . . A 82 ALA H . 19633 1 787 . 1 1 71 71 ALA HA H 1 3.877 0.004 . 1 . . . A 82 ALA HA . 19633 1 788 . 1 1 71 71 ALA HB1 H 1 1.429 0.000 . 1 . . . A 82 ALA HB1 . 19633 1 789 . 1 1 71 71 ALA HB2 H 1 1.429 0.000 . 1 . . . A 82 ALA HB2 . 19633 1 790 . 1 1 71 71 ALA HB3 H 1 1.429 0.000 . 1 . . . A 82 ALA HB3 . 19633 1 791 . 1 1 71 71 ALA C C 13 179.744 0.008 . 1 . . . A 82 ALA C . 19633 1 792 . 1 1 71 71 ALA CA C 13 56.312 0.094 . 1 . . . A 82 ALA CA . 19633 1 793 . 1 1 71 71 ALA CB C 13 18.493 0.028 . 1 . . . A 82 ALA CB . 19633 1 794 . 1 1 71 71 ALA N N 15 120.186 0.021 . 1 . . . A 82 ALA N . 19633 1 795 . 1 1 72 72 GLU H H 1 8.059 0.005 . 1 . . . A 83 GLU H . 19633 1 796 . 1 1 72 72 GLU HA H 1 4.057 0.006 . 1 . . . A 83 GLU HA . 19633 1 797 . 1 1 72 72 GLU HB2 H 1 2.228 0.001 . 2 . . . A 83 GLU HB2 . 19633 1 798 . 1 1 72 72 GLU HB3 H 1 2.138 0.004 . 2 . . . A 83 GLU HB3 . 19633 1 799 . 1 1 72 72 GLU HG2 H 1 2.288 0.004 . 2 . . . A 83 GLU HG2 . 19633 1 800 . 1 1 72 72 GLU C C 13 179.015 0.010 . 1 . . . A 83 GLU C . 19633 1 801 . 1 1 72 72 GLU CA C 13 59.688 0.026 . 1 . . . A 83 GLU CA . 19633 1 802 . 1 1 72 72 GLU CB C 13 29.435 0.105 . 1 . . . A 83 GLU CB . 19633 1 803 . 1 1 72 72 GLU CG C 13 36.674 0.003 . 1 . . . A 83 GLU CG . 19633 1 804 . 1 1 72 72 GLU N N 15 119.451 0.062 . 1 . . . A 83 GLU N . 19633 1 805 . 1 1 73 73 GLU H H 1 8.833 0.002 . 1 . . . A 84 GLU H . 19633 1 806 . 1 1 73 73 GLU HA H 1 4.195 0.002 . 1 . . . A 84 GLU HA . 19633 1 807 . 1 1 73 73 GLU HB2 H 1 2.225 0.005 . 2 . . . A 84 GLU HB2 . 19633 1 808 . 1 1 73 73 GLU HB3 H 1 2.057 0.007 . 2 . . . A 84 GLU HB3 . 19633 1 809 . 1 1 73 73 GLU HG2 H 1 2.828 0.007 . 2 . . . A 84 GLU HG2 . 19633 1 810 . 1 1 73 73 GLU HG3 H 1 2.435 0.002 . 2 . . . A 84 GLU HG3 . 19633 1 811 . 1 1 73 73 GLU C C 13 179.925 0.005 . 1 . . . A 84 GLU C . 19633 1 812 . 1 1 73 73 GLU CA C 13 59.125 0.033 . 1 . . . A 84 GLU CA . 19633 1 813 . 1 1 73 73 GLU CB C 13 30.051 0.044 . 1 . . . A 84 GLU CB . 19633 1 814 . 1 1 73 73 GLU CG C 13 37.347 0.038 . 1 . . . A 84 GLU CG . 19633 1 815 . 1 1 73 73 GLU N N 15 122.603 0.023 . 1 . . . A 84 GLU N . 19633 1 816 . 1 1 74 74 GLN H H 1 8.661 0.003 . 1 . . . A 85 GLN H . 19633 1 817 . 1 1 74 74 GLN HA H 1 3.646 0.002 . 1 . . . A 85 GLN HA . 19633 1 818 . 1 1 74 74 GLN HB2 H 1 2.141 0.016 . 2 . . . A 85 GLN HB2 . 19633 1 819 . 1 1 74 74 GLN HB3 H 1 2.022 0.017 . 2 . . . A 85 GLN HB3 . 19633 1 820 . 1 1 74 74 GLN HG2 H 1 2.375 0.009 . 2 . . . A 85 GLN HG2 . 19633 1 821 . 1 1 74 74 GLN HG3 H 1 1.771 0.012 . 2 . . . A 85 GLN HG3 . 19633 1 822 . 1 1 74 74 GLN HE21 H 1 7.595 0.001 . 2 . . . A 85 GLN HE21 . 19633 1 823 . 1 1 74 74 GLN HE22 H 1 6.581 0.005 . 2 . . . A 85 GLN HE22 . 19633 1 824 . 1 1 74 74 GLN C C 13 177.177 0.004 . 1 . . . A 85 GLN C . 19633 1 825 . 1 1 74 74 GLN CA C 13 59.672 0.043 . 1 . . . A 85 GLN CA . 19633 1 826 . 1 1 74 74 GLN CB C 13 30.205 0.146 . 1 . . . A 85 GLN CB . 19633 1 827 . 1 1 74 74 GLN CG C 13 35.836 0.053 . 1 . . . A 85 GLN CG . 19633 1 828 . 1 1 74 74 GLN N N 15 116.738 0.026 . 1 . . . A 85 GLN N . 19633 1 829 . 1 1 74 74 GLN NE2 N 15 110.840 0.245 . 1 . . . A 85 GLN NE2 . 19633 1 830 . 1 1 75 75 MET H H 1 7.863 0.003 . 1 . . . A 86 MET H . 19633 1 831 . 1 1 75 75 MET HA H 1 4.121 0.003 . 1 . . . A 86 MET HA . 19633 1 832 . 1 1 75 75 MET HB2 H 1 2.222 0.002 . 2 . . . A 86 MET HB2 . 19633 1 833 . 1 1 75 75 MET HB3 H 1 2.134 0.004 . 2 . . . A 86 MET HB3 . 19633 1 834 . 1 1 75 75 MET HG2 H 1 2.624 0.007 . 2 . . . A 86 MET HG2 . 19633 1 835 . 1 1 75 75 MET HG3 H 1 2.507 0.010 . 2 . . . A 86 MET HG3 . 19633 1 836 . 1 1 75 75 MET C C 13 178.198 0.048 . 1 . . . A 86 MET C . 19633 1 837 . 1 1 75 75 MET CA C 13 58.602 0.017 . 1 . . . A 86 MET CA . 19633 1 838 . 1 1 75 75 MET CB C 13 32.195 0.161 . 1 . . . A 86 MET CB . 19633 1 839 . 1 1 75 75 MET CG C 13 32.063 0.073 . 1 . . . A 86 MET CG . 19633 1 840 . 1 1 75 75 MET N N 15 119.303 0.026 . 1 . . . A 86 MET N . 19633 1 841 . 1 1 76 76 LYS H H 1 7.971 0.002 . 1 . . . A 87 LYS H . 19633 1 842 . 1 1 76 76 LYS HA H 1 4.080 0.007 . 1 . . . A 87 LYS HA . 19633 1 843 . 1 1 76 76 LYS HB2 H 1 2.109 0.005 . 2 . . . A 87 LYS HB2 . 19633 1 844 . 1 1 76 76 LYS HB3 H 1 2.042 0.007 . 2 . . . A 87 LYS HB3 . 19633 1 845 . 1 1 76 76 LYS HG2 H 1 1.621 0.013 . 2 . . . A 87 LYS HG2 . 19633 1 846 . 1 1 76 76 LYS HD2 H 1 1.794 0.005 . 2 . . . A 87 LYS HD2 . 19633 1 847 . 1 1 76 76 LYS HE2 H 1 3.048 0.003 . 2 . . . A 87 LYS HE2 . 19633 1 848 . 1 1 76 76 LYS C C 13 178.301 0.026 . 1 . . . A 87 LYS C . 19633 1 849 . 1 1 76 76 LYS CA C 13 59.559 0.042 . 1 . . . A 87 LYS CA . 19633 1 850 . 1 1 76 76 LYS CB C 13 32.134 0.061 . 1 . . . A 87 LYS CB . 19633 1 851 . 1 1 76 76 LYS CG C 13 25.840 0.093 . 1 . . . A 87 LYS CG . 19633 1 852 . 1 1 76 76 LYS CD C 13 28.933 0.059 . 1 . . . A 87 LYS CD . 19633 1 853 . 1 1 76 76 LYS CE C 13 42.414 0.079 . 1 . . . A 87 LYS CE . 19633 1 854 . 1 1 76 76 LYS N N 15 120.999 0.020 . 1 . . . A 87 LYS N . 19633 1 855 . 1 1 77 77 MET H H 1 7.725 0.007 . 1 . . . A 88 MET H . 19633 1 856 . 1 1 77 77 MET HA H 1 3.152 0.004 . 1 . . . A 88 MET HA . 19633 1 857 . 1 1 77 77 MET HB2 H 1 1.759 0.003 . 2 . . . A 88 MET HB2 . 19633 1 858 . 1 1 77 77 MET HB3 H 1 1.247 0.002 . 2 . . . A 88 MET HB3 . 19633 1 859 . 1 1 77 77 MET HG2 H 1 1.644 0.003 . 2 . . . A 88 MET HG2 . 19633 1 860 . 1 1 77 77 MET HG3 H 1 1.117 0.005 . 2 . . . A 88 MET HG3 . 19633 1 861 . 1 1 77 77 MET C C 13 176.828 0.007 . 1 . . . A 88 MET C . 19633 1 862 . 1 1 77 77 MET CA C 13 59.516 0.046 . 1 . . . A 88 MET CA . 19633 1 863 . 1 1 77 77 MET CB C 13 33.035 0.051 . 1 . . . A 88 MET CB . 19633 1 864 . 1 1 77 77 MET CG C 13 29.795 0.064 . 1 . . . A 88 MET CG . 19633 1 865 . 1 1 77 77 MET N N 15 120.163 0.117 . 1 . . . A 88 MET N . 19633 1 866 . 1 1 78 78 ALA H H 1 8.520 0.002 . 1 . . . A 89 ALA H . 19633 1 867 . 1 1 78 78 ALA HA H 1 3.816 0.003 . 1 . . . A 89 ALA HA . 19633 1 868 . 1 1 78 78 ALA HB1 H 1 1.460 0.001 . 1 . . . A 89 ALA HB1 . 19633 1 869 . 1 1 78 78 ALA HB2 H 1 1.460 0.001 . 1 . . . A 89 ALA HB2 . 19633 1 870 . 1 1 78 78 ALA HB3 H 1 1.460 0.001 . 1 . . . A 89 ALA HB3 . 19633 1 871 . 1 1 78 78 ALA C C 13 179.877 0.004 . 1 . . . A 89 ALA C . 19633 1 872 . 1 1 78 78 ALA CA C 13 55.585 0.019 . 1 . . . A 89 ALA CA . 19633 1 873 . 1 1 78 78 ALA CB C 13 17.914 0.027 . 1 . . . A 89 ALA CB . 19633 1 874 . 1 1 78 78 ALA N N 15 120.452 0.021 . 1 . . . A 89 ALA N . 19633 1 875 . 1 1 79 79 HIS H H 1 8.152 0.005 . 1 . . . A 90 HIS H . 19633 1 876 . 1 1 79 79 HIS HA H 1 4.399 0.000 . 1 . . . A 90 HIS HA . 19633 1 877 . 1 1 79 79 HIS HB2 H 1 3.371 0.003 . 2 . . . A 90 HIS HB2 . 19633 1 878 . 1 1 79 79 HIS HD2 H 1 7.361 0.001 . 1 . . . A 90 HIS HD2 . 19633 1 879 . 1 1 79 79 HIS C C 13 177.237 0.020 . 1 . . . A 90 HIS C . 19633 1 880 . 1 1 79 79 HIS CA C 13 58.572 0.027 . 1 . . . A 90 HIS CA . 19633 1 881 . 1 1 79 79 HIS CB C 13 28.553 0.020 . 1 . . . A 90 HIS CB . 19633 1 882 . 1 1 79 79 HIS CD2 C 13 119.007 0.144 . 1 . . . A 90 HIS CD2 . 19633 1 883 . 1 1 79 79 HIS N N 15 115.747 0.049 . 1 . . . A 90 HIS N . 19633 1 884 . 1 1 80 80 ASP H H 1 8.333 0.003 . 1 . . . A 91 ASP H . 19633 1 885 . 1 1 80 80 ASP HA H 1 4.505 0.004 . 1 . . . A 91 ASP HA . 19633 1 886 . 1 1 80 80 ASP HB2 H 1 3.035 0.004 . 2 . . . A 91 ASP HB2 . 19633 1 887 . 1 1 80 80 ASP HB3 H 1 2.807 0.006 . 2 . . . A 91 ASP HB3 . 19633 1 888 . 1 1 80 80 ASP C C 13 178.749 0.006 . 1 . . . A 91 ASP C . 19633 1 889 . 1 1 80 80 ASP CA C 13 57.189 0.023 . 1 . . . A 91 ASP CA . 19633 1 890 . 1 1 80 80 ASP CB C 13 40.544 0.023 . 1 . . . A 91 ASP CB . 19633 1 891 . 1 1 80 80 ASP N N 15 122.050 0.029 . 1 . . . A 91 ASP N . 19633 1 892 . 1 1 81 81 LEU H H 1 8.593 0.003 . 1 . . . A 92 LEU H . 19633 1 893 . 1 1 81 81 LEU HA H 1 4.008 0.007 . 1 . . . A 92 LEU HA . 19633 1 894 . 1 1 81 81 LEU HB2 H 1 1.869 0.013 . 2 . . . A 92 LEU HB2 . 19633 1 895 . 1 1 81 81 LEU HB3 H 1 1.342 0.003 . 2 . . . A 92 LEU HB3 . 19633 1 896 . 1 1 81 81 LEU HG H 1 1.855 0.023 . 1 . . . A 92 LEU HG . 19633 1 897 . 1 1 81 81 LEU HD11 H 1 0.769 0.002 . 2 . . . A 92 LEU HD11 . 19633 1 898 . 1 1 81 81 LEU HD12 H 1 0.769 0.002 . 2 . . . A 92 LEU HD12 . 19633 1 899 . 1 1 81 81 LEU HD13 H 1 0.769 0.002 . 2 . . . A 92 LEU HD13 . 19633 1 900 . 1 1 81 81 LEU HD21 H 1 0.900 0.001 . 2 . . . A 92 LEU HD21 . 19633 1 901 . 1 1 81 81 LEU HD22 H 1 0.900 0.001 . 2 . . . A 92 LEU HD22 . 19633 1 902 . 1 1 81 81 LEU HD23 H 1 0.900 0.001 . 2 . . . A 92 LEU HD23 . 19633 1 903 . 1 1 81 81 LEU C C 13 177.901 0.004 . 1 . . . A 92 LEU C . 19633 1 904 . 1 1 81 81 LEU CA C 13 57.871 0.047 . 1 . . . A 92 LEU CA . 19633 1 905 . 1 1 81 81 LEU CB C 13 41.528 0.039 . 1 . . . A 92 LEU CB . 19633 1 906 . 1 1 81 81 LEU CG C 13 26.918 0.122 . 1 . . . A 92 LEU CG . 19633 1 907 . 1 1 81 81 LEU CD1 C 13 26.833 0.009 . 1 . . . A 92 LEU CD1 . 19633 1 908 . 1 1 81 81 LEU CD2 C 13 22.553 0.038 . 1 . . . A 92 LEU CD2 . 19633 1 909 . 1 1 81 81 LEU N N 15 119.993 0.038 . 1 . . . A 92 LEU N . 19633 1 910 . 1 1 82 82 GLU H H 1 7.818 0.003 . 1 . . . A 93 GLU H . 19633 1 911 . 1 1 82 82 GLU HA H 1 3.991 0.009 . 1 . . . A 93 GLU HA . 19633 1 912 . 1 1 82 82 GLU HB2 H 1 2.044 0.007 . 2 . . . A 93 GLU HB2 . 19633 1 913 . 1 1 82 82 GLU HG2 H 1 2.318 0.001 . 2 . . . A 93 GLU HG2 . 19633 1 914 . 1 1 82 82 GLU C C 13 178.558 0.004 . 1 . . . A 93 GLU C . 19633 1 915 . 1 1 82 82 GLU CA C 13 58.924 0.023 . 1 . . . A 93 GLU CA . 19633 1 916 . 1 1 82 82 GLU CB C 13 29.191 0.099 . 1 . . . A 93 GLU CB . 19633 1 917 . 1 1 82 82 GLU CG C 13 35.497 0.018 . 1 . . . A 93 GLU CG . 19633 1 918 . 1 1 82 82 GLU N N 15 118.549 0.018 . 1 . . . A 93 GLU N . 19633 1 919 . 1 1 83 83 GLY H H 1 7.838 0.003 . 1 . . . A 94 GLY H . 19633 1 920 . 1 1 83 83 GLY HA2 H 1 3.979 0.004 . 2 . . . A 94 GLY HA2 . 19633 1 921 . 1 1 83 83 GLY HA3 H 1 3.917 0.001 . 2 . . . A 94 GLY HA3 . 19633 1 922 . 1 1 83 83 GLY C C 13 175.242 0.001 . 1 . . . A 94 GLY C . 19633 1 923 . 1 1 83 83 GLY CA C 13 46.744 0.025 . 1 . . . A 94 GLY CA . 19633 1 924 . 1 1 83 83 GLY N N 15 106.996 0.017 . 1 . . . A 94 GLY N . 19633 1 925 . 1 1 84 84 GLN H H 1 8.022 0.002 . 1 . . . A 95 GLN H . 19633 1 926 . 1 1 84 84 GLN HA H 1 4.228 0.005 . 1 . . . A 95 GLN HA . 19633 1 927 . 1 1 84 84 GLN HB2 H 1 2.135 0.003 . 2 . . . A 95 GLN HB2 . 19633 1 928 . 1 1 84 84 GLN HG2 H 1 2.488 0.008 . 2 . . . A 95 GLN HG2 . 19633 1 929 . 1 1 84 84 GLN HG3 H 1 2.372 0.015 . 2 . . . A 95 GLN HG3 . 19633 1 930 . 1 1 84 84 GLN HE21 H 1 7.412 0.006 . 2 . . . A 95 GLN HE21 . 19633 1 931 . 1 1 84 84 GLN HE22 H 1 6.772 0.009 . 2 . . . A 95 GLN HE22 . 19633 1 932 . 1 1 84 84 GLN C C 13 177.468 0.008 . 1 . . . A 95 GLN C . 19633 1 933 . 1 1 84 84 GLN CA C 13 57.927 0.211 . 1 . . . A 95 GLN CA . 19633 1 934 . 1 1 84 84 GLN CB C 13 29.300 0.112 . 1 . . . A 95 GLN CB . 19633 1 935 . 1 1 84 84 GLN CG C 13 34.277 0.049 . 1 . . . A 95 GLN CG . 19633 1 936 . 1 1 84 84 GLN N N 15 120.723 0.028 . 1 . . . A 95 GLN N . 19633 1 937 . 1 1 84 84 GLN NE2 N 15 111.565 0.138 . 1 . . . A 95 GLN NE2 . 19633 1 938 . 1 1 85 85 LYS H H 1 8.360 0.002 . 1 . . . A 96 LYS H . 19633 1 939 . 1 1 85 85 LYS HA H 1 3.966 0.002 . 1 . . . A 96 LYS HA . 19633 1 940 . 1 1 85 85 LYS HB2 H 1 1.980 0.002 . 2 . . . A 96 LYS HB2 . 19633 1 941 . 1 1 85 85 LYS HB3 H 1 1.861 0.010 . 2 . . . A 96 LYS HB3 . 19633 1 942 . 1 1 85 85 LYS HG2 H 1 1.498 0.014 . 2 . . . A 96 LYS HG2 . 19633 1 943 . 1 1 85 85 LYS HG3 H 1 1.415 0.005 . 2 . . . A 96 LYS HG3 . 19633 1 944 . 1 1 85 85 LYS HD2 H 1 1.758 0.005 . 2 . . . A 96 LYS HD2 . 19633 1 945 . 1 1 85 85 LYS HD3 H 1 1.650 0.005 . 2 . . . A 96 LYS HD3 . 19633 1 946 . 1 1 85 85 LYS HE2 H 1 2.977 0.002 . 2 . . . A 96 LYS HE2 . 19633 1 947 . 1 1 85 85 LYS HE3 H 1 2.913 0.004 . 2 . . . A 96 LYS HE3 . 19633 1 948 . 1 1 85 85 LYS C C 13 177.012 0.012 . 1 . . . A 96 LYS C . 19633 1 949 . 1 1 85 85 LYS CA C 13 59.145 0.104 . 1 . . . A 96 LYS CA . 19633 1 950 . 1 1 85 85 LYS CB C 13 32.530 0.062 . 1 . . . A 96 LYS CB . 19633 1 951 . 1 1 85 85 LYS CG C 13 25.205 0.061 . 1 . . . A 96 LYS CG . 19633 1 952 . 1 1 85 85 LYS CD C 13 29.189 0.037 . 1 . . . A 96 LYS CD . 19633 1 953 . 1 1 85 85 LYS CE C 13 41.746 0.004 . 1 . . . A 96 LYS CE . 19633 1 954 . 1 1 85 85 LYS N N 15 120.649 0.022 . 1 . . . A 96 LYS N . 19633 1 955 . 1 1 86 86 SER H H 1 8.189 0.003 . 1 . . . A 97 SER H . 19633 1 956 . 1 1 86 86 SER HA H 1 4.323 0.001 . 1 . . . A 97 SER HA . 19633 1 957 . 1 1 86 86 SER HB2 H 1 4.003 0.003 . 2 . . . A 97 SER HB2 . 19633 1 958 . 1 1 86 86 SER HB3 H 1 3.956 0.005 . 2 . . . A 97 SER HB3 . 19633 1 959 . 1 1 86 86 SER C C 13 175.141 0.019 . 1 . . . A 97 SER C . 19633 1 960 . 1 1 86 86 SER CA C 13 60.369 0.064 . 1 . . . A 97 SER CA . 19633 1 961 . 1 1 86 86 SER CB C 13 63.300 0.046 . 1 . . . A 97 SER CB . 19633 1 962 . 1 1 86 86 SER N N 15 114.589 0.103 . 1 . . . A 97 SER N . 19633 1 963 . 1 1 87 87 ASP H H 1 8.084 0.004 . 1 . . . A 98 ASP H . 19633 1 964 . 1 1 87 87 ASP HA H 1 4.552 0.005 . 1 . . . A 98 ASP HA . 19633 1 965 . 1 1 87 87 ASP HB2 H 1 2.746 0.001 . 2 . . . A 98 ASP HB2 . 19633 1 966 . 1 1 87 87 ASP C C 13 177.274 0.013 . 1 . . . A 98 ASP C . 19633 1 967 . 1 1 87 87 ASP CA C 13 56.143 0.041 . 1 . . . A 98 ASP CA . 19633 1 968 . 1 1 87 87 ASP CB C 13 40.952 0.012 . 1 . . . A 98 ASP CB . 19633 1 969 . 1 1 87 87 ASP N N 15 121.767 0.039 . 1 . . . A 98 ASP N . 19633 1 970 . 1 1 88 88 LEU H H 1 7.976 0.004 . 1 . . . A 99 LEU H . 19633 1 971 . 1 1 88 88 LEU HA H 1 4.172 0.003 . 1 . . . A 99 LEU HA . 19633 1 972 . 1 1 88 88 LEU HB2 H 1 1.784 0.004 . 2 . . . A 99 LEU HB2 . 19633 1 973 . 1 1 88 88 LEU HB3 H 1 1.451 0.004 . 2 . . . A 99 LEU HB3 . 19633 1 974 . 1 1 88 88 LEU HG H 1 1.767 0.012 . 1 . . . A 99 LEU HG . 19633 1 975 . 1 1 88 88 LEU HD11 H 1 0.888 0.007 . 2 . . . A 99 LEU HD11 . 19633 1 976 . 1 1 88 88 LEU HD12 H 1 0.888 0.007 . 2 . . . A 99 LEU HD12 . 19633 1 977 . 1 1 88 88 LEU HD13 H 1 0.888 0.007 . 2 . . . A 99 LEU HD13 . 19633 1 978 . 1 1 88 88 LEU HD21 H 1 0.870 0.004 . 2 . . . A 99 LEU HD21 . 19633 1 979 . 1 1 88 88 LEU HD22 H 1 0.870 0.004 . 2 . . . A 99 LEU HD22 . 19633 1 980 . 1 1 88 88 LEU HD23 H 1 0.870 0.004 . 2 . . . A 99 LEU HD23 . 19633 1 981 . 1 1 88 88 LEU C C 13 177.628 0.055 . 1 . . . A 99 LEU C . 19633 1 982 . 1 1 88 88 LEU CA C 13 57.048 0.057 . 1 . . . A 99 LEU CA . 19633 1 983 . 1 1 88 88 LEU CB C 13 42.017 0.056 . 1 . . . A 99 LEU CB . 19633 1 984 . 1 1 88 88 LEU CG C 13 27.067 0.040 . 1 . . . A 99 LEU CG . 19633 1 985 . 1 1 88 88 LEU CD1 C 13 23.365 0.042 . 1 . . . A 99 LEU CD1 . 19633 1 986 . 1 1 88 88 LEU CD2 C 13 25.591 0.029 . 1 . . . A 99 LEU CD2 . 19633 1 987 . 1 1 88 88 LEU N N 15 120.708 0.025 . 1 . . . A 99 LEU N . 19633 1 988 . 1 1 89 89 ASN H H 1 8.403 0.005 . 1 . . . A 100 ASN H . 19633 1 989 . 1 1 89 89 ASN HA H 1 4.597 0.003 . 1 . . . A 100 ASN HA . 19633 1 990 . 1 1 89 89 ASN HB2 H 1 2.850 0.007 . 2 . . . A 100 ASN HB2 . 19633 1 991 . 1 1 89 89 ASN HD21 H 1 7.595 0.002 . 2 . . . A 100 ASN HD21 . 19633 1 992 . 1 1 89 89 ASN HD22 H 1 6.893 0.006 . 2 . . . A 100 ASN HD22 . 19633 1 993 . 1 1 89 89 ASN C C 13 176.322 0.006 . 1 . . . A 100 ASN C . 19633 1 994 . 1 1 89 89 ASN CA C 13 54.742 0.053 . 1 . . . A 100 ASN CA . 19633 1 995 . 1 1 89 89 ASN CB C 13 38.248 0.107 . 1 . . . A 100 ASN CB . 19633 1 996 . 1 1 89 89 ASN N N 15 117.979 0.072 . 1 . . . A 100 ASN N . 19633 1 997 . 1 1 89 89 ASN ND2 N 15 111.135 0.187 . 1 . . . A 100 ASN ND2 . 19633 1 998 . 1 1 90 90 ASN H H 1 8.213 0.001 . 1 . . . A 101 ASN H . 19633 1 999 . 1 1 90 90 ASN HA H 1 4.631 0.006 . 1 . . . A 101 ASN HA . 19633 1 1000 . 1 1 90 90 ASN HB2 H 1 2.895 0.002 . 2 . . . A 101 ASN HB2 . 19633 1 1001 . 1 1 90 90 ASN HD21 H 1 7.702 0.002 . 2 . . . A 101 ASN HD21 . 19633 1 1002 . 1 1 90 90 ASN HD22 H 1 6.892 0.003 . 2 . . . A 101 ASN HD22 . 19633 1 1003 . 1 1 90 90 ASN C C 13 175.721 0.020 . 1 . . . A 101 ASN C . 19633 1 1004 . 1 1 90 90 ASN CA C 13 54.642 0.057 . 1 . . . A 101 ASN CA . 19633 1 1005 . 1 1 90 90 ASN CB C 13 38.481 0.023 . 1 . . . A 101 ASN CB . 19633 1 1006 . 1 1 90 90 ASN N N 15 119.113 0.030 . 1 . . . A 101 ASN N . 19633 1 1007 . 1 1 90 90 ASN ND2 N 15 112.455 0.190 . 1 . . . A 101 ASN ND2 . 19633 1 1008 . 1 1 91 91 GLN H H 1 8.163 0.004 . 1 . . . A 102 GLN H . 19633 1 1009 . 1 1 91 91 GLN HA H 1 4.225 0.002 . 1 . . . A 102 GLN HA . 19633 1 1010 . 1 1 91 91 GLN HB2 H 1 2.141 0.002 . 2 . . . A 102 GLN HB2 . 19633 1 1011 . 1 1 91 91 GLN HG2 H 1 2.518 0.025 . 2 . . . A 102 GLN HG2 . 19633 1 1012 . 1 1 91 91 GLN HG3 H 1 2.375 0.014 . 2 . . . A 102 GLN HG3 . 19633 1 1013 . 1 1 91 91 GLN HE21 H 1 7.240 0.008 . 2 . . . A 102 GLN HE21 . 19633 1 1014 . 1 1 91 91 GLN HE22 H 1 6.741 0.005 . 2 . . . A 102 GLN HE22 . 19633 1 1015 . 1 1 91 91 GLN C C 13 176.870 0.018 . 1 . . . A 102 GLN C . 19633 1 1016 . 1 1 91 91 GLN CA C 13 57.481 0.013 . 1 . . . A 102 GLN CA . 19633 1 1017 . 1 1 91 91 GLN CB C 13 29.399 0.040 . 1 . . . A 102 GLN CB . 19633 1 1018 . 1 1 91 91 GLN CG C 13 34.250 0.000 . 1 . . . A 102 GLN CG . 19633 1 1019 . 1 1 91 91 GLN N N 15 120.008 0.040 . 1 . . . A 102 GLN N . 19633 1 1020 . 1 1 91 91 GLN NE2 N 15 110.387 0.165 . 1 . . . A 102 GLN NE2 . 19633 1 1021 . 1 1 92 92 LEU H H 1 8.287 0.002 . 1 . . . A 103 LEU H . 19633 1 1022 . 1 1 92 92 LEU HA H 1 4.209 0.007 . 1 . . . A 103 LEU HA . 19633 1 1023 . 1 1 92 92 LEU HB2 H 1 1.761 0.003 . 2 . . . A 103 LEU HB2 . 19633 1 1024 . 1 1 92 92 LEU HB3 H 1 1.563 0.005 . 2 . . . A 103 LEU HB3 . 19633 1 1025 . 1 1 92 92 LEU HG H 1 1.664 0.006 . 1 . . . A 103 LEU HG . 19633 1 1026 . 1 1 92 92 LEU HD11 H 1 0.866 0.005 . 2 . . . A 103 LEU HD11 . 19633 1 1027 . 1 1 92 92 LEU HD12 H 1 0.866 0.005 . 2 . . . A 103 LEU HD12 . 19633 1 1028 . 1 1 92 92 LEU HD13 H 1 0.866 0.005 . 2 . . . A 103 LEU HD13 . 19633 1 1029 . 1 1 92 92 LEU HD21 H 1 0.887 0.005 . 2 . . . A 103 LEU HD21 . 19633 1 1030 . 1 1 92 92 LEU HD22 H 1 0.887 0.005 . 2 . . . A 103 LEU HD22 . 19633 1 1031 . 1 1 92 92 LEU HD23 H 1 0.887 0.005 . 2 . . . A 103 LEU HD23 . 19633 1 1032 . 1 1 92 92 LEU C C 13 177.379 0.133 . 1 . . . A 103 LEU C . 19633 1 1033 . 1 1 92 92 LEU CA C 13 56.212 0.041 . 1 . . . A 103 LEU CA . 19633 1 1034 . 1 1 92 92 LEU CB C 13 42.200 0.020 . 1 . . . A 103 LEU CB . 19633 1 1035 . 1 1 92 92 LEU CG C 13 27.192 0.037 . 1 . . . A 103 LEU CG . 19633 1 1036 . 1 1 92 92 LEU CD1 C 13 25.205 0.078 . 1 . . . A 103 LEU CD1 . 19633 1 1037 . 1 1 92 92 LEU CD2 C 13 23.692 0.037 . 1 . . . A 103 LEU CD2 . 19633 1 1038 . 1 1 92 92 LEU N N 15 121.333 0.049 . 1 . . . A 103 LEU N . 19633 1 1039 . 1 1 93 93 ALA H H 1 7.949 0.005 . 1 . . . A 104 ALA H . 19633 1 1040 . 1 1 93 93 ALA HA H 1 4.251 0.002 . 1 . . . A 104 ALA HA . 19633 1 1041 . 1 1 93 93 ALA HB1 H 1 1.437 0.003 . 1 . . . A 104 ALA HB1 . 19633 1 1042 . 1 1 93 93 ALA HB2 H 1 1.437 0.003 . 1 . . . A 104 ALA HB2 . 19633 1 1043 . 1 1 93 93 ALA HB3 H 1 1.437 0.003 . 1 . . . A 104 ALA HB3 . 19633 1 1044 . 1 1 93 93 ALA C C 13 177.573 0.008 . 1 . . . A 104 ALA C . 19633 1 1045 . 1 1 93 93 ALA CA C 13 53.281 0.040 . 1 . . . A 104 ALA CA . 19633 1 1046 . 1 1 93 93 ALA CB C 13 18.990 0.022 . 1 . . . A 104 ALA CB . 19633 1 1047 . 1 1 93 93 ALA N N 15 122.897 0.023 . 1 . . . A 104 ALA N . 19633 1 1048 . 1 1 94 94 GLU H H 1 7.961 0.008 . 1 . . . A 105 GLU H . 19633 1 1049 . 1 1 94 94 GLU HA H 1 4.278 0.002 . 1 . . . A 105 GLU HA . 19633 1 1050 . 1 1 94 94 GLU HB2 H 1 2.104 0.007 . 2 . . . A 105 GLU HB2 . 19633 1 1051 . 1 1 94 94 GLU HB3 H 1 1.987 0.013 . 2 . . . A 105 GLU HB3 . 19633 1 1052 . 1 1 94 94 GLU HG2 H 1 2.357 0.006 . 2 . . . A 105 GLU HG2 . 19633 1 1053 . 1 1 94 94 GLU HG3 H 1 2.273 0.005 . 2 . . . A 105 GLU HG3 . 19633 1 1054 . 1 1 94 94 GLU C C 13 175.855 0.008 . 1 . . . A 105 GLU C . 19633 1 1055 . 1 1 94 94 GLU CA C 13 56.654 0.097 . 1 . . . A 105 GLU CA . 19633 1 1056 . 1 1 94 94 GLU CB C 13 30.095 0.016 . 1 . . . A 105 GLU CB . 19633 1 1057 . 1 1 94 94 GLU CG C 13 36.229 0.050 . 1 . . . A 105 GLU CG . 19633 1 1058 . 1 1 94 94 GLU N N 15 117.921 0.033 . 1 . . . A 105 GLU N . 19633 1 1059 . 1 1 95 95 LEU H H 1 7.919 0.011 . 1 . . . A 106 LEU H . 19633 1 1060 . 1 1 95 95 LEU HA H 1 4.345 0.003 . 1 . . . A 106 LEU HA . 19633 1 1061 . 1 1 95 95 LEU HB2 H 1 1.639 0.033 . 2 . . . A 106 LEU HB2 . 19633 1 1062 . 1 1 95 95 LEU HB3 H 1 1.532 0.001 . 2 . . . A 106 LEU HB3 . 19633 1 1063 . 1 1 95 95 LEU HG H 1 1.546 0.002 . 1 . . . A 106 LEU HG . 19633 1 1064 . 1 1 95 95 LEU HD11 H 1 0.870 0.007 . 2 . . . A 106 LEU HD11 . 19633 1 1065 . 1 1 95 95 LEU HD12 H 1 0.870 0.007 . 2 . . . A 106 LEU HD12 . 19633 1 1066 . 1 1 95 95 LEU HD13 H 1 0.870 0.007 . 2 . . . A 106 LEU HD13 . 19633 1 1067 . 1 1 95 95 LEU HD21 H 1 0.826 0.004 . 2 . . . A 106 LEU HD21 . 19633 1 1068 . 1 1 95 95 LEU HD22 H 1 0.826 0.004 . 2 . . . A 106 LEU HD22 . 19633 1 1069 . 1 1 95 95 LEU HD23 H 1 0.826 0.004 . 2 . . . A 106 LEU HD23 . 19633 1 1070 . 1 1 95 95 LEU C C 13 176.249 0.543 . 1 . . . A 106 LEU C . 19633 1 1071 . 1 1 95 95 LEU CA C 13 55.314 0.092 . 1 . . . A 106 LEU CA . 19633 1 1072 . 1 1 95 95 LEU CB C 13 42.585 0.030 . 1 . . . A 106 LEU CB . 19633 1 1073 . 1 1 95 95 LEU CG C 13 26.998 0.075 . 1 . . . A 106 LEU CG . 19633 1 1074 . 1 1 95 95 LEU CD1 C 13 25.368 0.026 . 1 . . . A 106 LEU CD1 . 19633 1 1075 . 1 1 95 95 LEU CD2 C 13 23.448 0.083 . 1 . . . A 106 LEU CD2 . 19633 1 1076 . 1 1 95 95 LEU N N 15 121.805 0.035 . 1 . . . A 106 LEU N . 19633 1 1077 . 1 1 96 96 GLU H H 1 7.786 0.004 . 1 . . . A 107 GLU H . 19633 1 1078 . 1 1 96 96 GLU HA H 1 4.105 0.004 . 1 . . . A 107 GLU HA . 19633 1 1079 . 1 1 96 96 GLU HB2 H 1 2.046 0.014 . 2 . . . A 107 GLU HB2 . 19633 1 1080 . 1 1 96 96 GLU HB3 H 1 1.917 0.011 . 2 . . . A 107 GLU HB3 . 19633 1 1081 . 1 1 96 96 GLU HG2 H 1 2.232 0.001 . 2 . . . A 107 GLU HG2 . 19633 1 1082 . 1 1 96 96 GLU C C 13 180.512 0.000 . 1 . . . A 107 GLU C . 19633 1 1083 . 1 1 96 96 GLU CA C 13 58.056 0.047 . 1 . . . A 107 GLU CA . 19633 1 1084 . 1 1 96 96 GLU CB C 13 31.180 0.063 . 1 . . . A 107 GLU CB . 19633 1 1085 . 1 1 96 96 GLU CG C 13 36.447 0.091 . 1 . . . A 107 GLU CG . 19633 1 1086 . 1 1 96 96 GLU N N 15 125.864 0.027 . 1 . . . A 107 GLU N . 19633 1 stop_ save_