data_15743 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15743 _Entry.Title ; Sequence specific 1H, 13C and 15N resonance assignment of Hahellin from Hahella chejuensis, a putative member of the bg-crystallin superfamily ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-25 _Entry.Accession_date 2008-04-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 Atul Srivastava . Kumar . 15743 2 Kandala Chary . 'Venkat Raman' . 15743 3 Yogendra Sharma . . . 15743 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Center for Cellular and Molecular Biology, Hyderabad, India' . 15743 1 . 'Tata Institute of Fundamental Research, Mumbai-05, India' . 15743 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15743 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 341 15743 '15N chemical shifts' 92 15743 '1H chemical shifts' 558 15743 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 5 . . 2010-04-16 2008-04-25 update BMRB 'add related PDB ID' 15743 4 . . 2009-10-02 2008-04-25 update author 'update the chemical shifts' 15743 3 . . 2009-08-31 2008-04-25 update BMRB 'add PubMed ID' 15743 2 . . 2008-12-03 2008-04-25 update BMRB 'complete entry citation' 15743 1 . . 2008-09-12 2008-04-25 original author 'original release' 15743 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KP5 'BMRB Entry Tracking System' 15743 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15743 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636892 _Citation.Full_citation . _Citation.Title 'Sequence specific 1H, 13C, and 15N resonance assignments of Hahellin from Hahella chejuensis, a putative member of the betagamma-crystallin superfamily' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _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 151 _Citation.Page_last 153 _Citation.Year 2008 _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 Atul Srivastava . K. . 15743 1 2 Yogendra Sharma . . . 15743 1 3 Kandala Chary . V.R. . 15743 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15743 _Assembly.ID 1 _Assembly.Name Hahellin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Subunit 1' 1 $hahellin A . yes native no no . . . 15743 1 2 'calcium ion' 2 $CA B . no native no no . . . 15743 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hahellin _Entity.Sf_category entity _Entity.Sf_framecode hahellin _Entity.Entry_ID 15743 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hahellin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGEKTVKLYEDTHFKGYSVE LPVGDYNLSSLISRGALNDD LSSARVPSGLRLEVFQHNNF KGVRDFYTSDAAELSRDNDA SSVRVSKMETTN ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16777 . hahellin . . . . . 100.00 92 100.00 100.00 4.25e-59 . . . . 15743 1 2 no BMRB 18446 . Apoform_Hahellin . . . . . 100.00 92 100.00 100.00 4.25e-59 . . . . 15743 1 3 no PDB 2KP5 . "Nmr Structure Of Hahellin, A Beta-Gamma Crystallin" . . . . . 100.00 92 100.00 100.00 4.25e-59 . . . . 15743 1 4 no GB ABC29838 . "conserved hypothetical protein [Hahella chejuensis KCTC 2396]" . . . . . 98.91 450 100.00 100.00 2.38e-54 . . . . 15743 1 5 no REF WP_011396907 . "hypothetical protein [Hahella chejuensis]" . . . . . 98.91 450 100.00 100.00 2.38e-54 . . . . 15743 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 0 MET . 15743 1 2 1 GLY . 15743 1 3 2 GLU . 15743 1 4 3 LYS . 15743 1 5 4 THR . 15743 1 6 5 VAL . 15743 1 7 6 LYS . 15743 1 8 7 LEU . 15743 1 9 8 TYR . 15743 1 10 9 GLU . 15743 1 11 10 ASP . 15743 1 12 11 THR . 15743 1 13 12 HIS . 15743 1 14 13 PHE . 15743 1 15 14 LYS . 15743 1 16 15 GLY . 15743 1 17 16 TYR . 15743 1 18 17 SER . 15743 1 19 18 VAL . 15743 1 20 19 GLU . 15743 1 21 20 LEU . 15743 1 22 21 PRO . 15743 1 23 22 VAL . 15743 1 24 23 GLY . 15743 1 25 24 ASP . 15743 1 26 25 TYR . 15743 1 27 26 ASN . 15743 1 28 27 LEU . 15743 1 29 28 SER . 15743 1 30 29 SER . 15743 1 31 30 LEU . 15743 1 32 31 ILE . 15743 1 33 32 SER . 15743 1 34 33 ARG . 15743 1 35 34 GLY . 15743 1 36 35 ALA . 15743 1 37 36 LEU . 15743 1 38 37 ASN . 15743 1 39 38 ASP . 15743 1 40 39 ASP . 15743 1 41 40 LEU . 15743 1 42 41 SER . 15743 1 43 42 SER . 15743 1 44 43 ALA . 15743 1 45 44 ARG . 15743 1 46 45 VAL . 15743 1 47 46 PRO . 15743 1 48 47 SER . 15743 1 49 48 GLY . 15743 1 50 49 LEU . 15743 1 51 50 ARG . 15743 1 52 51 LEU . 15743 1 53 52 GLU . 15743 1 54 53 VAL . 15743 1 55 54 PHE . 15743 1 56 55 GLN . 15743 1 57 56 HIS . 15743 1 58 57 ASN . 15743 1 59 58 ASN . 15743 1 60 59 PHE . 15743 1 61 60 LYS . 15743 1 62 61 GLY . 15743 1 63 62 VAL . 15743 1 64 63 ARG . 15743 1 65 64 ASP . 15743 1 66 65 PHE . 15743 1 67 66 TYR . 15743 1 68 67 THR . 15743 1 69 68 SER . 15743 1 70 69 ASP . 15743 1 71 70 ALA . 15743 1 72 71 ALA . 15743 1 73 72 GLU . 15743 1 74 73 LEU . 15743 1 75 74 SER . 15743 1 76 75 ARG . 15743 1 77 76 ASP . 15743 1 78 77 ASN . 15743 1 79 78 ASP . 15743 1 80 79 ALA . 15743 1 81 80 SER . 15743 1 82 81 SER . 15743 1 83 82 VAL . 15743 1 84 83 ARG . 15743 1 85 84 VAL . 15743 1 86 85 SER . 15743 1 87 86 LYS . 15743 1 88 87 MET . 15743 1 89 88 GLU . 15743 1 90 89 THR . 15743 1 91 90 THR . 15743 1 92 91 ASN . 15743 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15743 1 . GLY 2 2 15743 1 . GLU 3 3 15743 1 . LYS 4 4 15743 1 . THR 5 5 15743 1 . VAL 6 6 15743 1 . LYS 7 7 15743 1 . LEU 8 8 15743 1 . TYR 9 9 15743 1 . GLU 10 10 15743 1 . ASP 11 11 15743 1 . THR 12 12 15743 1 . HIS 13 13 15743 1 . PHE 14 14 15743 1 . LYS 15 15 15743 1 . GLY 16 16 15743 1 . TYR 17 17 15743 1 . SER 18 18 15743 1 . VAL 19 19 15743 1 . GLU 20 20 15743 1 . LEU 21 21 15743 1 . PRO 22 22 15743 1 . VAL 23 23 15743 1 . GLY 24 24 15743 1 . ASP 25 25 15743 1 . TYR 26 26 15743 1 . ASN 27 27 15743 1 . LEU 28 28 15743 1 . SER 29 29 15743 1 . SER 30 30 15743 1 . LEU 31 31 15743 1 . ILE 32 32 15743 1 . SER 33 33 15743 1 . ARG 34 34 15743 1 . GLY 35 35 15743 1 . ALA 36 36 15743 1 . LEU 37 37 15743 1 . ASN 38 38 15743 1 . ASP 39 39 15743 1 . ASP 40 40 15743 1 . LEU 41 41 15743 1 . SER 42 42 15743 1 . SER 43 43 15743 1 . ALA 44 44 15743 1 . ARG 45 45 15743 1 . VAL 46 46 15743 1 . PRO 47 47 15743 1 . SER 48 48 15743 1 . GLY 49 49 15743 1 . LEU 50 50 15743 1 . ARG 51 51 15743 1 . LEU 52 52 15743 1 . GLU 53 53 15743 1 . VAL 54 54 15743 1 . PHE 55 55 15743 1 . GLN 56 56 15743 1 . HIS 57 57 15743 1 . ASN 58 58 15743 1 . ASN 59 59 15743 1 . PHE 60 60 15743 1 . LYS 61 61 15743 1 . GLY 62 62 15743 1 . VAL 63 63 15743 1 . ARG 64 64 15743 1 . ASP 65 65 15743 1 . PHE 66 66 15743 1 . TYR 67 67 15743 1 . THR 68 68 15743 1 . SER 69 69 15743 1 . ASP 70 70 15743 1 . ALA 71 71 15743 1 . ALA 72 72 15743 1 . GLU 73 73 15743 1 . LEU 74 74 15743 1 . SER 75 75 15743 1 . ARG 76 76 15743 1 . ASP 77 77 15743 1 . ASN 78 78 15743 1 . ASP 79 79 15743 1 . ALA 80 80 15743 1 . SER 81 81 15743 1 . SER 82 82 15743 1 . VAL 83 83 15743 1 . ARG 84 84 15743 1 . VAL 85 85 15743 1 . SER 86 86 15743 1 . LYS 87 87 15743 1 . MET 88 88 15743 1 . GLU 89 89 15743 1 . THR 90 90 15743 1 . THR 91 91 15743 1 . ASN 92 92 15743 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 15743 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . CA . 15743 2 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 15743 _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 $hahellin . 158327 organism . 'Hahella chejuensis' 'Hahella chejuensis' . . Bacteria . Hahella chejuensis . . . . . . . . . . . . . . . . . . . . . 15743 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 15743 _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 $hahellin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21a . . . . . . 15743 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 15743 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code CA _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Ca++] SMILES CACTVS 3.341 15743 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 15743 CA [Ca+2] SMILES ACDLabs 10.04 15743 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 15743 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15743 CA InChI=1/Ca/q+2 InChI InChI 1.01 15743 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 15743 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15743 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . N . 2 . . . . no no . . . . . . . . . . . . . . . 15743 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15743 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'sodium chloride' 'natural abundance' . . 1 $hahellin . . 0.8 . . mM . . . . 15743 1 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 15743 1 3 Tris.Cl 'natural abundance' . . . . . . 10 . . mM . . . . 15743 1 4 'calcium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 15743 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 15743 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.7 . pH 15743 1 pressure 1 . atm 15743 1 temperature 298 . K 15743 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15743 _Software.ID 1 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15743 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15743 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15743 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15743 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15743 2 'peak picking' 15743 2 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 15743 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15743 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ 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 15743 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 15743 1 2 spectrometer_2 Varian INOVA . 600 . . . 15743 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 15743 _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 . . . . . . . . . . . . . . . . 15743 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15743 1 3 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15743 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15743 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15743 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15743 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15743 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15743 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15743 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 15743 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15743 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15743 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15743 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 15743 _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' . . . 15743 1 2 '3D CBCA(CO)NH' . . . 15743 1 3 '3D CBCANH' . . . 15743 1 4 '3D HNCO' . . . 15743 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 4 4 LYS H H 1 8.62 0.02 . 1 . . . . 3 LYS H . 15743 1 2 . 1 1 4 4 LYS HA H 1 4.39 0.02 . 1 . . . . 3 LYS HA . 15743 1 3 . 1 1 4 4 LYS HB2 H 1 1.68 0.02 . 2 . . . . 3 LYS HB2 . 15743 1 4 . 1 1 4 4 LYS HB3 H 1 1.65 0.02 . 2 . . . . 3 LYS HB3 . 15743 1 5 . 1 1 4 4 LYS HD2 H 1 1.54 0.02 . 2 . . . . 3 LYS HD2 . 15743 1 6 . 1 1 4 4 LYS HD3 H 1 1.50 0.02 . 2 . . . . 3 LYS HD3 . 15743 1 7 . 1 1 4 4 LYS HE2 H 1 3.02 0.02 . 2 . . . . 3 LYS HE2 . 15743 1 8 . 1 1 4 4 LYS HE3 H 1 3.00 0.02 . 2 . . . . 3 LYS HE3 . 15743 1 9 . 1 1 4 4 LYS HG2 H 1 1.45 0.02 . 2 . . . . 3 LYS HG2 . 15743 1 10 . 1 1 4 4 LYS HG3 H 1 1.43 0.02 . 2 . . . . 3 LYS HG3 . 15743 1 11 . 1 1 4 4 LYS C C 13 175.2 0.3 . 1 . . . . 3 LYS C . 15743 1 12 . 1 1 4 4 LYS CA C 13 56.3 0.3 . 1 . . . . 3 LYS CA . 15743 1 13 . 1 1 4 4 LYS CB C 13 33.6 0.3 . 1 . . . . 3 LYS CB . 15743 1 14 . 1 1 4 4 LYS CD C 13 29.5 0.3 . 1 . . . . 3 LYS CD . 15743 1 15 . 1 1 4 4 LYS CE C 13 42.3 0.3 . 1 . . . . 3 LYS CE . 15743 1 16 . 1 1 4 4 LYS CG C 13 25.4 0.3 . 1 . . . . 3 LYS CG . 15743 1 17 . 1 1 4 4 LYS N N 15 122.7 0.3 . 1 . . . . 3 LYS N . 15743 1 18 . 1 1 5 5 THR H H 1 7.80 0.02 . 1 . . . . 4 THR H . 15743 1 19 . 1 1 5 5 THR HA H 1 4.59 0.02 . 1 . . . . 4 THR HA . 15743 1 20 . 1 1 5 5 THR HB H 1 3.87 0.02 . 1 . . . . 4 THR HB . 15743 1 21 . 1 1 5 5 THR HG1 H 1 3.82 0.02 . 1 . . . . 4 THR HG1 . 15743 1 22 . 1 1 5 5 THR HG21 H 1 0.88 0.02 . 1 . . . . 4 THR HG2 . 15743 1 23 . 1 1 5 5 THR HG22 H 1 0.88 0.02 . 1 . . . . 4 THR HG2 . 15743 1 24 . 1 1 5 5 THR HG23 H 1 0.88 0.02 . 1 . . . . 4 THR HG2 . 15743 1 25 . 1 1 5 5 THR C C 13 174.5 0.3 . 1 . . . . 4 THR C . 15743 1 26 . 1 1 5 5 THR CA C 13 58.5 0.3 . 1 . . . . 4 THR CA . 15743 1 27 . 1 1 5 5 THR CB C 13 71.5 0.3 . 1 . . . . 4 THR CB . 15743 1 28 . 1 1 5 5 THR CG2 C 13 22.1 0.3 . 1 . . . . 4 THR CG2 . 15743 1 29 . 1 1 5 5 THR N N 15 109.7 0.3 . 1 . . . . 4 THR N . 15743 1 30 . 1 1 6 6 VAL H H 1 8.29 0.02 . 1 . . . . 5 VAL H . 15743 1 31 . 1 1 6 6 VAL HA H 1 4.45 0.02 . 1 . . . . 5 VAL HA . 15743 1 32 . 1 1 6 6 VAL HB H 1 2.12 0.02 . 1 . . . . 5 VAL HB . 15743 1 33 . 1 1 6 6 VAL HG11 H 1 1.10 0.02 . 1 . . . . 5 VAL HG1 . 15743 1 34 . 1 1 6 6 VAL HG12 H 1 1.10 0.02 . 1 . . . . 5 VAL HG1 . 15743 1 35 . 1 1 6 6 VAL HG13 H 1 1.10 0.02 . 1 . . . . 5 VAL HG1 . 15743 1 36 . 1 1 6 6 VAL HG21 H 1 1.08 0.02 . 1 . . . . 5 VAL HG2 . 15743 1 37 . 1 1 6 6 VAL HG22 H 1 1.08 0.02 . 1 . . . . 5 VAL HG2 . 15743 1 38 . 1 1 6 6 VAL HG23 H 1 1.08 0.02 . 1 . . . . 5 VAL HG2 . 15743 1 39 . 1 1 6 6 VAL C C 13 175.3 0.3 . 1 . . . . 5 VAL C . 15743 1 40 . 1 1 6 6 VAL CA C 13 60.5 0.3 . 1 . . . . 5 VAL CA . 15743 1 41 . 1 1 6 6 VAL CB C 13 33.5 0.3 . 1 . . . . 5 VAL CB . 15743 1 42 . 1 1 6 6 VAL CG1 C 13 23.9 0.3 . 1 . . . . 5 VAL CG1 . 15743 1 43 . 1 1 6 6 VAL CG2 C 13 22.8 0.3 . 1 . . . . 5 VAL CG2 . 15743 1 44 . 1 1 6 6 VAL N N 15 117.9 0.3 . 1 . . . . 5 VAL N . 15743 1 45 . 1 1 7 7 LYS H H 1 8.41 0.02 . 1 . . . . 6 LYS H . 15743 1 46 . 1 1 7 7 LYS HA H 1 5.26 0.02 . 1 . . . . 6 LYS HA . 15743 1 47 . 1 1 7 7 LYS HB2 H 1 1.57 0.02 . 2 . . . . 6 LYS HB2 . 15743 1 48 . 1 1 7 7 LYS HB3 H 1 1.53 0.02 . 2 . . . . 6 LYS HB3 . 15743 1 49 . 1 1 7 7 LYS HD2 H 1 1.30 0.02 . 2 . . . . 6 LYS HD2 . 15743 1 50 . 1 1 7 7 LYS HD3 H 1 1.26 0.02 . 2 . . . . 6 LYS HD3 . 15743 1 51 . 1 1 7 7 LYS HE2 H 1 2.72 0.02 . 2 . . . . 6 LYS HE2 . 15743 1 52 . 1 1 7 7 LYS HE3 H 1 2.69 0.02 . 2 . . . . 6 LYS HE3 . 15743 1 53 . 1 1 7 7 LYS HG2 H 1 1.14 0.02 . 2 . . . . 6 LYS HG2 . 15743 1 54 . 1 1 7 7 LYS HG3 H 1 1.11 0.02 . 2 . . . . 6 LYS HG3 . 15743 1 55 . 1 1 7 7 LYS C C 13 174.7 0.3 . 1 . . . . 6 LYS C . 15743 1 56 . 1 1 7 7 LYS CA C 13 54.9 0.3 . 1 . . . . 6 LYS CA . 15743 1 57 . 1 1 7 7 LYS CB C 13 35.5 0.3 . 1 . . . . 6 LYS CB . 15743 1 58 . 1 1 7 7 LYS CD C 13 29.5 0.3 . 1 . . . . 6 LYS CD . 15743 1 59 . 1 1 7 7 LYS CE C 13 42.4 0.3 . 1 . . . . 6 LYS CE . 15743 1 60 . 1 1 7 7 LYS CG C 13 26.3 0.3 . 1 . . . . 6 LYS CG . 15743 1 61 . 1 1 7 7 LYS N N 15 123.9 0.3 . 1 . . . . 6 LYS N . 15743 1 62 . 1 1 8 8 LEU H H 1 8.76 0.02 . 1 . . . . 7 LEU H . 15743 1 63 . 1 1 8 8 LEU HA H 1 5.07 0.02 . 1 . . . . 7 LEU HA . 15743 1 64 . 1 1 8 8 LEU HB2 H 1 1.59 0.02 . 2 . . . . 7 LEU HB2 . 15743 1 65 . 1 1 8 8 LEU HB3 H 1 1.57 0.02 . 2 . . . . 7 LEU HB3 . 15743 1 66 . 1 1 8 8 LEU HD11 H 1 0.81 0.02 . 1 . . . . 7 LEU HD1 . 15743 1 67 . 1 1 8 8 LEU HD12 H 1 0.81 0.02 . 1 . . . . 7 LEU HD1 . 15743 1 68 . 1 1 8 8 LEU HD13 H 1 0.81 0.02 . 1 . . . . 7 LEU HD1 . 15743 1 69 . 1 1 8 8 LEU HD21 H 1 0.79 0.02 . 1 . . . . 7 LEU HD2 . 15743 1 70 . 1 1 8 8 LEU HD22 H 1 0.79 0.02 . 1 . . . . 7 LEU HD2 . 15743 1 71 . 1 1 8 8 LEU HD23 H 1 0.79 0.02 . 1 . . . . 7 LEU HD2 . 15743 1 72 . 1 1 8 8 LEU HG H 1 1.58 0.02 . 1 . . . . 7 LEU HG . 15743 1 73 . 1 1 8 8 LEU C C 13 175.0 0.3 . 1 . . . . 7 LEU C . 15743 1 74 . 1 1 8 8 LEU CA C 13 53.4 0.3 . 1 . . . . 7 LEU CA . 15743 1 75 . 1 1 8 8 LEU CB C 13 45.0 0.3 . 1 . . . . 7 LEU CB . 15743 1 76 . 1 1 8 8 LEU CD1 C 13 25.3 0.3 . 1 . . . . 7 LEU CD1 . 15743 1 77 . 1 1 8 8 LEU CD2 C 13 25.1 0.3 . 1 . . . . 7 LEU CD2 . 15743 1 78 . 1 1 8 8 LEU CG C 13 27.4 0.3 . 1 . . . . 7 LEU CG . 15743 1 79 . 1 1 8 8 LEU N N 15 122.8 0.3 . 1 . . . . 7 LEU N . 15743 1 80 . 1 1 9 9 TYR H H 1 8.39 0.02 . 1 . . . . 8 TYR H . 15743 1 81 . 1 1 9 9 TYR HA H 1 5.39 0.02 . 1 . . . . 8 TYR HA . 15743 1 82 . 1 1 9 9 TYR HB2 H 1 3.30 0.02 . 2 . . . . 8 TYR HB2 . 15743 1 83 . 1 1 9 9 TYR HB3 H 1 2.96 0.02 . 2 . . . . 8 TYR HB3 . 15743 1 84 . 1 1 9 9 TYR C C 13 175.8 0.3 . 1 . . . . 8 TYR C . 15743 1 85 . 1 1 9 9 TYR CA C 13 56.6 0.3 . 1 . . . . 8 TYR CA . 15743 1 86 . 1 1 9 9 TYR CB C 13 40.5 0.3 . 1 . . . . 8 TYR CB . 15743 1 87 . 1 1 9 9 TYR N N 15 116.9 0.3 . 1 . . . . 8 TYR N . 15743 1 88 . 1 1 10 10 GLU H H 1 8.18 0.02 . 1 . . . . 9 GLU H . 15743 1 89 . 1 1 10 10 GLU HA H 1 3.27 0.02 . 1 . . . . 9 GLU HA . 15743 1 90 . 1 1 10 10 GLU HB2 H 1 2.04 0.02 . 2 . . . . 9 GLU HB2 . 15743 1 91 . 1 1 10 10 GLU HB3 H 1 2.02 0.02 . 2 . . . . 9 GLU HB3 . 15743 1 92 . 1 1 10 10 GLU HG2 H 1 2.16 0.02 . 2 . . . . 9 GLU HG2 . 15743 1 93 . 1 1 10 10 GLU HG3 H 1 2.15 0.02 . 2 . . . . 9 GLU HG3 . 15743 1 94 . 1 1 10 10 GLU C C 13 175.1 0.3 . 1 . . . . 9 GLU C . 15743 1 95 . 1 1 10 10 GLU CA C 13 58.1 0.3 . 1 . . . . 9 GLU CA . 15743 1 96 . 1 1 10 10 GLU CB C 13 31.6 0.3 . 1 . . . . 9 GLU CB . 15743 1 97 . 1 1 10 10 GLU CG C 13 34.3 0.3 . 1 . . . . 9 GLU CG . 15743 1 98 . 1 1 10 10 GLU N N 15 124.0 0.3 . 1 . . . . 9 GLU N . 15743 1 99 . 1 1 11 11 ASP H H 1 8.36 0.02 . 1 . . . . 10 ASP H . 15743 1 100 . 1 1 11 11 ASP HA H 1 5.26 0.02 . 1 . . . . 10 ASP HA . 15743 1 101 . 1 1 11 11 ASP HB2 H 1 2.73 0.02 . 2 . . . . 10 ASP HB2 . 15743 1 102 . 1 1 11 11 ASP HB3 H 1 2.21 0.02 . 2 . . . . 10 ASP HB3 . 15743 1 103 . 1 1 11 11 ASP C C 13 176.6 0.3 . 1 . . . . 10 ASP C . 15743 1 104 . 1 1 11 11 ASP CA C 13 52.0 0.3 . 1 . . . . 10 ASP CA . 15743 1 105 . 1 1 11 11 ASP CB C 13 43.5 0.3 . 1 . . . . 10 ASP CB . 15743 1 106 . 1 1 11 11 ASP N N 15 117.9 0.3 . 1 . . . . 10 ASP N . 15743 1 107 . 1 1 12 12 THR H H 1 8.69 0.02 . 1 . . . . 11 THR H . 15743 1 108 . 1 1 12 12 THR HA H 1 3.67 0.02 . 1 . . . . 11 THR HA . 15743 1 109 . 1 1 12 12 THR HB H 1 4.20 0.02 . 1 . . . . 11 THR HB . 15743 1 110 . 1 1 12 12 THR HG21 H 1 1.39 0.02 . 1 . . . . 11 THR HG2 . 15743 1 111 . 1 1 12 12 THR HG22 H 1 1.39 0.02 . 1 . . . . 11 THR HG2 . 15743 1 112 . 1 1 12 12 THR HG23 H 1 1.39 0.02 . 1 . . . . 11 THR HG2 . 15743 1 113 . 1 1 12 12 THR C C 13 174.3 0.3 . 1 . . . . 11 THR C . 15743 1 114 . 1 1 12 12 THR CA C 13 61.8 0.3 . 1 . . . . 11 THR CA . 15743 1 115 . 1 1 12 12 THR CB C 13 69.1 0.3 . 1 . . . . 11 THR CB . 15743 1 116 . 1 1 12 12 THR CG2 C 13 23.0 0.3 . 1 . . . . 11 THR CG2 . 15743 1 117 . 1 1 12 12 THR N N 15 111.0 0.3 . 1 . . . . 11 THR N . 15743 1 118 . 1 1 13 13 HIS H H 1 9.28 0.02 . 1 . . . . 12 HIS H . 15743 1 119 . 1 1 13 13 HIS HB2 H 1 3.02 0.02 . 2 . . . . 12 HIS HB2 . 15743 1 120 . 1 1 13 13 HIS HB3 H 1 2.92 0.02 . 2 . . . . 12 HIS HB3 . 15743 1 121 . 1 1 13 13 HIS C C 13 173.2 0.3 . 1 . . . . 12 HIS C . 15743 1 122 . 1 1 13 13 HIS CA C 13 57.7 0.3 . 1 . . . . 12 HIS CA . 15743 1 123 . 1 1 13 13 HIS CB C 13 26.2 0.3 . 1 . . . . 12 HIS CB . 15743 1 124 . 1 1 13 13 HIS N N 15 111.3 0.3 . 1 . . . . 12 HIS N . 15743 1 125 . 1 1 14 14 PHE H H 1 7.55 0.02 . 1 . . . . 13 PHE H . 15743 1 126 . 1 1 14 14 PHE HA H 1 2.86 0.02 . 1 . . . . 13 PHE HA . 15743 1 127 . 1 1 14 14 PHE HB2 H 1 1.88 0.02 . 2 . . . . 13 PHE HB2 . 15743 1 128 . 1 1 14 14 PHE HB3 H 1 1.85 0.02 . 2 . . . . 13 PHE HB3 . 15743 1 129 . 1 1 14 14 PHE C C 13 175.0 0.3 . 1 . . . . 13 PHE C . 15743 1 130 . 1 1 14 14 PHE CA C 13 55.1 0.3 . 1 . . . . 13 PHE CA . 15743 1 131 . 1 1 14 14 PHE CB C 13 35.2 0.3 . 1 . . . . 13 PHE CB . 15743 1 132 . 1 1 14 14 PHE N N 15 111.1 0.3 . 1 . . . . 13 PHE N . 15743 1 133 . 1 1 15 15 LYS H H 1 6.07 0.02 . 1 . . . . 14 LYS H . 15743 1 134 . 1 1 15 15 LYS HA H 1 4.61 0.02 . 1 . . . . 14 LYS HA . 15743 1 135 . 1 1 15 15 LYS HB2 H 1 1.90 0.02 . 2 . . . . 14 LYS HB2 . 15743 1 136 . 1 1 15 15 LYS HB3 H 1 1.88 0.02 . 2 . . . . 14 LYS HB3 . 15743 1 137 . 1 1 15 15 LYS HD2 H 1 1.66 0.02 . 2 . . . . 14 LYS HD2 . 15743 1 138 . 1 1 15 15 LYS HD3 H 1 1.63 0.02 . 2 . . . . 14 LYS HD3 . 15743 1 139 . 1 1 15 15 LYS HE2 H 1 2.92 0.02 . 2 . . . . 14 LYS HE2 . 15743 1 140 . 1 1 15 15 LYS HE3 H 1 2.90 0.02 . 2 . . . . 14 LYS HE3 . 15743 1 141 . 1 1 15 15 LYS HG2 H 1 1.42 0.02 . 2 . . . . 14 LYS HG2 . 15743 1 142 . 1 1 15 15 LYS HG3 H 1 1.38 0.02 . 2 . . . . 14 LYS HG3 . 15743 1 143 . 1 1 15 15 LYS C C 13 174.9 0.3 . 1 . . . . 14 LYS C . 15743 1 144 . 1 1 15 15 LYS CA C 13 54.7 0.3 . 1 . . . . 14 LYS CA . 15743 1 145 . 1 1 15 15 LYS CB C 13 35.5 0.3 . 1 . . . . 14 LYS CB . 15743 1 146 . 1 1 15 15 LYS CD C 13 28.8 0.3 . 1 . . . . 14 LYS CD . 15743 1 147 . 1 1 15 15 LYS CE C 13 42.4 0.3 . 1 . . . . 14 LYS CE . 15743 1 148 . 1 1 15 15 LYS CG C 13 24.9 0.3 . 1 . . . . 14 LYS CG . 15743 1 149 . 1 1 15 15 LYS N N 15 118.5 0.3 . 1 . . . . 14 LYS N . 15743 1 150 . 1 1 16 16 GLY H H 1 8.25 0.02 . 1 . . . . 15 GLY H . 15743 1 151 . 1 1 16 16 GLY HA2 H 1 4.35 0.02 . 2 . . . . 15 GLY HA2 . 15743 1 152 . 1 1 16 16 GLY HA3 H 1 3.69 0.02 . 2 . . . . 15 GLY HA3 . 15743 1 153 . 1 1 16 16 GLY C C 13 175.0 0.3 . 1 . . . . 15 GLY C . 15743 1 154 . 1 1 16 16 GLY CA C 13 44.5 0.3 . 1 . . . . 15 GLY CA . 15743 1 155 . 1 1 16 16 GLY N N 15 107.0 0.3 . 1 . . . . 15 GLY N . 15743 1 156 . 1 1 17 17 TYR H H 1 8.78 0.02 . 1 . . . . 16 TYR H . 15743 1 157 . 1 1 17 17 TYR HA H 1 4.59 0.02 . 1 . . . . 16 TYR HA . 15743 1 158 . 1 1 17 17 TYR HB2 H 1 3.44 0.02 . 2 . . . . 16 TYR HB2 . 15743 1 159 . 1 1 17 17 TYR HB3 H 1 2.90 0.02 . 2 . . . . 16 TYR HB3 . 15743 1 160 . 1 1 17 17 TYR C C 13 173.0 0.3 . 1 . . . . 16 TYR C . 15743 1 161 . 1 1 17 17 TYR CA C 13 58.6 0.3 . 1 . . . . 16 TYR CA . 15743 1 162 . 1 1 17 17 TYR CB C 13 37.2 0.3 . 1 . . . . 16 TYR CB . 15743 1 163 . 1 1 17 17 TYR N N 15 120.6 0.3 . 1 . . . . 16 TYR N . 15743 1 164 . 1 1 18 18 SER H H 1 8.33 0.02 . 1 . . . . 17 SER H . 15743 1 165 . 1 1 18 18 SER HA H 1 5.42 0.02 . 1 . . . . 17 SER HA . 15743 1 166 . 1 1 18 18 SER HB2 H 1 3.43 0.02 . 2 . . . . 17 SER HB2 . 15743 1 167 . 1 1 18 18 SER HB3 H 1 3.06 0.02 . 2 . . . . 17 SER HB3 . 15743 1 168 . 1 1 18 18 SER CA C 13 55.1 0.3 . 1 . . . . 17 SER CA . 15743 1 169 . 1 1 18 18 SER CB C 13 67.6 0.3 . 1 . . . . 17 SER CB . 15743 1 170 . 1 1 18 18 SER N N 15 110.7 0.3 . 1 . . . . 17 SER N . 15743 1 171 . 1 1 19 19 VAL H H 1 8.72 0.02 . 1 . . . . 18 VAL H . 15743 1 172 . 1 1 19 19 VAL HA H 1 4.33 0.02 . 1 . . . . 18 VAL HA . 15743 1 173 . 1 1 19 19 VAL HB H 1 1.75 0.02 . 1 . . . . 18 VAL HB . 15743 1 174 . 1 1 19 19 VAL HG11 H 1 0.72 0.02 . 1 . . . . 18 VAL HG1 . 15743 1 175 . 1 1 19 19 VAL HG12 H 1 0.72 0.02 . 1 . . . . 18 VAL HG1 . 15743 1 176 . 1 1 19 19 VAL HG13 H 1 0.72 0.02 . 1 . . . . 18 VAL HG1 . 15743 1 177 . 1 1 19 19 VAL HG21 H 1 0.70 0.02 . 1 . . . . 18 VAL HG2 . 15743 1 178 . 1 1 19 19 VAL HG22 H 1 0.70 0.02 . 1 . . . . 18 VAL HG2 . 15743 1 179 . 1 1 19 19 VAL HG23 H 1 0.70 0.02 . 1 . . . . 18 VAL HG2 . 15743 1 180 . 1 1 19 19 VAL C C 13 173.6 0.3 . 1 . . . . 18 VAL C . 15743 1 181 . 1 1 19 19 VAL CA C 13 60.3 0.3 . 1 . . . . 18 VAL CA . 15743 1 182 . 1 1 19 19 VAL CB C 13 34.9 0.3 . 1 . . . . 18 VAL CB . 15743 1 183 . 1 1 19 19 VAL CG1 C 13 21.9 0.3 . 1 . . . . 18 VAL CG1 . 15743 1 184 . 1 1 19 19 VAL CG2 C 13 20.6 0.3 . 1 . . . . 18 VAL CG2 . 15743 1 185 . 1 1 19 19 VAL N N 15 119.6 0.3 . 1 . . . . 18 VAL N . 15743 1 186 . 1 1 20 20 GLU H H 1 8.62 0.02 . 1 . . . . 19 GLU H . 15743 1 187 . 1 1 20 20 GLU HA H 1 5.03 0.02 . 1 . . . . 19 GLU HA . 15743 1 188 . 1 1 20 20 GLU HB2 H 1 1.90 0.02 . 2 . . . . 19 GLU HB2 . 15743 1 189 . 1 1 20 20 GLU HB3 H 1 1.87 0.02 . 2 . . . . 19 GLU HB3 . 15743 1 190 . 1 1 20 20 GLU HG2 H 1 2.11 0.02 . 2 . . . . 19 GLU HG2 . 15743 1 191 . 1 1 20 20 GLU HG3 H 1 2.06 0.02 . 2 . . . . 19 GLU HG3 . 15743 1 192 . 1 1 20 20 GLU C C 13 175.3 0.3 . 1 . . . . 19 GLU C . 15743 1 193 . 1 1 20 20 GLU CA C 13 54.8 0.3 . 1 . . . . 19 GLU CA . 15743 1 194 . 1 1 20 20 GLU CB C 13 30.7 0.3 . 1 . . . . 19 GLU CB . 15743 1 195 . 1 1 20 20 GLU CG C 13 36.3 0.3 . 1 . . . . 19 GLU CG . 15743 1 196 . 1 1 20 20 GLU N N 15 126.9 0.3 . 1 . . . . 19 GLU N . 15743 1 197 . 1 1 21 21 LEU H H 1 9.12 0.02 . 1 . . . . 20 LEU H . 15743 1 198 . 1 1 21 21 LEU HA H 1 4.93 0.02 . 1 . . . . 20 LEU HA . 15743 1 199 . 1 1 21 21 LEU HB2 H 1 1.47 0.02 . 2 . . . . 20 LEU HB2 . 15743 1 200 . 1 1 21 21 LEU HB3 H 1 1.46 0.02 . 2 . . . . 20 LEU HB3 . 15743 1 201 . 1 1 21 21 LEU HD11 H 1 1.04 0.02 . 1 . . . . 20 LEU HD1 . 15743 1 202 . 1 1 21 21 LEU HD12 H 1 1.04 0.02 . 1 . . . . 20 LEU HD1 . 15743 1 203 . 1 1 21 21 LEU HD13 H 1 1.04 0.02 . 1 . . . . 20 LEU HD1 . 15743 1 204 . 1 1 21 21 LEU HD21 H 1 1.03 0.02 . 1 . . . . 20 LEU HD2 . 15743 1 205 . 1 1 21 21 LEU HD22 H 1 1.03 0.02 . 1 . . . . 20 LEU HD2 . 15743 1 206 . 1 1 21 21 LEU HD23 H 1 1.03 0.02 . 1 . . . . 20 LEU HD2 . 15743 1 207 . 1 1 21 21 LEU HG H 1 1.44 0.02 . 1 . . . . 20 LEU HG . 15743 1 208 . 1 1 21 21 LEU C C 13 174.1 0.3 . 1 . . . . 20 LEU C . 15743 1 209 . 1 1 21 21 LEU CA C 13 50.8 0.3 . 1 . . . . 20 LEU CA . 15743 1 210 . 1 1 21 21 LEU CB C 13 44.4 0.3 . 1 . . . . 20 LEU CB . 15743 1 211 . 1 1 21 21 LEU N N 15 125.1 0.3 . 1 . . . . 20 LEU N . 15743 1 212 . 1 1 22 22 PRO HA H 1 4.95 0.02 . 1 . . . . 21 PRO HA . 15743 1 213 . 1 1 22 22 PRO HB2 H 1 2.22 0.02 . 2 . . . . 21 PRO HB2 . 15743 1 214 . 1 1 22 22 PRO HB3 H 1 2.20 0.02 . 2 . . . . 21 PRO HB3 . 15743 1 215 . 1 1 22 22 PRO HD2 H 1 3.82 0.02 . 2 . . . . 21 PRO HD2 . 15743 1 216 . 1 1 22 22 PRO HD3 H 1 3.57 0.02 . 2 . . . . 21 PRO HD3 . 15743 1 217 . 1 1 22 22 PRO HG2 H 1 2.05 0.02 . 2 . . . . 21 PRO HG2 . 15743 1 218 . 1 1 22 22 PRO HG3 H 1 1.83 0.02 . 2 . . . . 21 PRO HG3 . 15743 1 219 . 1 1 22 22 PRO C C 13 176.9 0.3 . 1 . . . . 21 PRO C . 15743 1 220 . 1 1 22 22 PRO CA C 13 61.1 0.3 . 1 . . . . 21 PRO CA . 15743 1 221 . 1 1 22 22 PRO CB C 13 33.4 0.3 . 1 . . . . 21 PRO CB . 15743 1 222 . 1 1 22 22 PRO CD C 13 50.2 0.3 . 1 . . . . 21 PRO CD . 15743 1 223 . 1 1 22 22 PRO CG C 13 26.6 0.3 . 1 . . . . 21 PRO CG . 15743 1 224 . 1 1 23 23 VAL H H 1 8.59 0.02 . 1 . . . . 22 VAL H . 15743 1 225 . 1 1 23 23 VAL HA H 1 3.59 0.02 . 1 . . . . 22 VAL HA . 15743 1 226 . 1 1 23 23 VAL HB H 1 1.96 0.02 . 1 . . . . 22 VAL HB . 15743 1 227 . 1 1 23 23 VAL HG11 H 1 1.04 0.02 . 1 . . . . 22 VAL HG1 . 15743 1 228 . 1 1 23 23 VAL HG12 H 1 1.04 0.02 . 1 . . . . 22 VAL HG1 . 15743 1 229 . 1 1 23 23 VAL HG13 H 1 1.04 0.02 . 1 . . . . 22 VAL HG1 . 15743 1 230 . 1 1 23 23 VAL HG21 H 1 0.99 0.02 . 1 . . . . 22 VAL HG2 . 15743 1 231 . 1 1 23 23 VAL HG22 H 1 0.99 0.02 . 1 . . . . 22 VAL HG2 . 15743 1 232 . 1 1 23 23 VAL HG23 H 1 0.99 0.02 . 1 . . . . 22 VAL HG2 . 15743 1 233 . 1 1 23 23 VAL C C 13 175.8 0.3 . 1 . . . . 22 VAL C . 15743 1 234 . 1 1 23 23 VAL CA C 13 64.7 0.3 . 1 . . . . 22 VAL CA . 15743 1 235 . 1 1 23 23 VAL CB C 13 32.1 0.3 . 1 . . . . 22 VAL CB . 15743 1 236 . 1 1 23 23 VAL CG1 C 13 23.0 0.3 . 1 . . . . 22 VAL CG1 . 15743 1 237 . 1 1 23 23 VAL CG2 C 13 21.4 0.3 . 1 . . . . 22 VAL CG2 . 15743 1 238 . 1 1 23 23 VAL N N 15 119.7 0.3 . 1 . . . . 22 VAL N . 15743 1 239 . 1 1 24 24 GLY H H 1 8.88 0.02 . 1 . . . . 23 GLY H . 15743 1 240 . 1 1 24 24 GLY HA2 H 1 4.03 0.02 . 2 . . . . 23 GLY HA2 . 15743 1 241 . 1 1 24 24 GLY HA3 H 1 3.78 0.02 . 2 . . . . 23 GLY HA3 . 15743 1 242 . 1 1 24 24 GLY C C 13 170.1 0.3 . 1 . . . . 23 GLY C . 15743 1 243 . 1 1 24 24 GLY CA C 13 44.8 0.3 . 1 . . . . 23 GLY CA . 15743 1 244 . 1 1 24 24 GLY N N 15 113.2 0.3 . 1 . . . . 23 GLY N . 15743 1 245 . 1 1 25 25 ASP H H 1 7.91 0.02 . 1 . . . . 24 ASP H . 15743 1 246 . 1 1 25 25 ASP HA H 1 4.87 0.02 . 1 . . . . 24 ASP HA . 15743 1 247 . 1 1 25 25 ASP HB2 H 1 2.41 0.02 . 2 . . . . 24 ASP HB2 . 15743 1 248 . 1 1 25 25 ASP HB3 H 1 2.40 0.02 . 2 . . . . 24 ASP HB3 . 15743 1 249 . 1 1 25 25 ASP CA C 13 53.2 0.3 . 1 . . . . 24 ASP CA . 15743 1 250 . 1 1 25 25 ASP CB C 13 41.8 0.3 . 1 . . . . 24 ASP CB . 15743 1 251 . 1 1 25 25 ASP N N 15 118.9 0.3 . 1 . . . . 24 ASP N . 15743 1 252 . 1 1 26 26 TYR H H 1 9.28 0.02 . 1 . . . . 25 TYR H . 15743 1 253 . 1 1 26 26 TYR HA H 1 4.82 0.02 . 1 . . . . 25 TYR HA . 15743 1 254 . 1 1 26 26 TYR HB2 H 1 3.16 0.02 . 2 . . . . 25 TYR HB2 . 15743 1 255 . 1 1 26 26 TYR HB3 H 1 2.70 0.02 . 2 . . . . 25 TYR HB3 . 15743 1 256 . 1 1 26 26 TYR C C 13 173.7 0.3 . 1 . . . . 25 TYR C . 15743 1 257 . 1 1 26 26 TYR CA C 13 57.5 0.3 . 1 . . . . 25 TYR CA . 15743 1 258 . 1 1 26 26 TYR CB C 13 39.0 0.3 . 1 . . . . 25 TYR CB . 15743 1 259 . 1 1 26 26 TYR N N 15 121.9 0.3 . 1 . . . . 25 TYR N . 15743 1 260 . 1 1 27 27 ASN H H 1 8.56 0.02 . 1 . . . . 26 ASN H . 15743 1 261 . 1 1 27 27 ASN HA H 1 4.40 0.02 . 1 . . . . 26 ASN HA . 15743 1 262 . 1 1 27 27 ASN HB2 H 1 3.53 0.02 . 2 . . . . 26 ASN HB2 . 15743 1 263 . 1 1 27 27 ASN HB3 H 1 2.87 0.02 . 2 . . . . 26 ASN HB3 . 15743 1 264 . 1 1 27 27 ASN HD21 H 1 7.57 0.02 . 1 . . . . 26 ASN HD21 . 15743 1 265 . 1 1 27 27 ASN HD22 H 1 6.81 0.02 . 1 . . . . 26 ASN HD22 . 15743 1 266 . 1 1 27 27 ASN C C 13 174.1 0.3 . 1 . . . . 26 ASN C . 15743 1 267 . 1 1 27 27 ASN CA C 13 51.4 0.3 . 1 . . . . 26 ASN CA . 15743 1 268 . 1 1 27 27 ASN CB C 13 37.1 0.3 . 1 . . . . 26 ASN CB . 15743 1 269 . 1 1 27 27 ASN N N 15 122.7 0.3 . 1 . . . . 26 ASN N . 15743 1 270 . 1 1 27 27 ASN ND2 N 15 110.3 0.3 . 1 . . . . 26 ASN ND2 . 15743 1 271 . 1 1 28 28 LEU H H 1 8.63 0.02 . 1 . . . . 27 LEU H . 15743 1 272 . 1 1 28 28 LEU HA H 1 4.07 0.02 . 1 . . . . 27 LEU HA . 15743 1 273 . 1 1 28 28 LEU HB2 H 1 2.09 0.02 . 2 . . . . 27 LEU HB2 . 15743 1 274 . 1 1 28 28 LEU HB3 H 1 2.04 0.02 . 2 . . . . 27 LEU HB3 . 15743 1 275 . 1 1 28 28 LEU HD11 H 1 0.93 0.02 . 1 . . . . 27 LEU HD1 . 15743 1 276 . 1 1 28 28 LEU HD12 H 1 0.93 0.02 . 1 . . . . 27 LEU HD1 . 15743 1 277 . 1 1 28 28 LEU HD13 H 1 0.93 0.02 . 1 . . . . 27 LEU HD1 . 15743 1 278 . 1 1 28 28 LEU HD21 H 1 0.91 0.02 . 1 . . . . 27 LEU HD2 . 15743 1 279 . 1 1 28 28 LEU HD22 H 1 0.91 0.02 . 1 . . . . 27 LEU HD2 . 15743 1 280 . 1 1 28 28 LEU HD23 H 1 0.91 0.02 . 1 . . . . 27 LEU HD2 . 15743 1 281 . 1 1 28 28 LEU HG H 1 1.97 0.02 . 1 . . . . 27 LEU HG . 15743 1 282 . 1 1 28 28 LEU C C 13 178.6 0.3 . 1 . . . . 27 LEU C . 15743 1 283 . 1 1 28 28 LEU CA C 13 59.0 0.3 . 1 . . . . 27 LEU CA . 15743 1 284 . 1 1 28 28 LEU CB C 13 40.1 0.3 . 1 . . . . 27 LEU CB . 15743 1 285 . 1 1 28 28 LEU CD1 C 13 21.2 0.3 . 1 . . . . 27 LEU CD1 . 15743 1 286 . 1 1 28 28 LEU CD2 C 13 21.1 0.3 . 1 . . . . 27 LEU CD2 . 15743 1 287 . 1 1 28 28 LEU CG C 13 26.2 0.3 . 1 . . . . 27 LEU CG . 15743 1 288 . 1 1 28 28 LEU N N 15 120.7 0.3 . 1 . . . . 27 LEU N . 15743 1 289 . 1 1 29 29 SER H H 1 8.29 0.02 . 1 . . . . 28 SER H . 15743 1 290 . 1 1 29 29 SER HA H 1 4.07 0.02 . 1 . . . . 28 SER HA . 15743 1 291 . 1 1 29 29 SER HB2 H 1 3.95 0.02 . 2 . . . . 28 SER HB2 . 15743 1 292 . 1 1 29 29 SER HB3 H 1 3.91 0.02 . 2 . . . . 28 SER HB3 . 15743 1 293 . 1 1 29 29 SER C C 13 177.8 0.3 . 1 . . . . 28 SER C . 15743 1 294 . 1 1 29 29 SER CA C 13 61.8 0.3 . 1 . . . . 28 SER CA . 15743 1 295 . 1 1 29 29 SER CB C 13 62.6 0.3 . 1 . . . . 28 SER CB . 15743 1 296 . 1 1 29 29 SER N N 15 112.5 0.3 . 1 . . . . 28 SER N . 15743 1 297 . 1 1 30 30 SER H H 1 8.10 0.02 . 1 . . . . 29 SER H . 15743 1 298 . 1 1 30 30 SER HA H 1 4.37 0.02 . 1 . . . . 29 SER HA . 15743 1 299 . 1 1 30 30 SER HB2 H 1 2.75 0.02 . 2 . . . . 29 SER HB2 . 15743 1 300 . 1 1 30 30 SER HB3 H 1 2.57 0.02 . 2 . . . . 29 SER HB3 . 15743 1 301 . 1 1 30 30 SER C C 13 177.2 0.3 . 1 . . . . 29 SER C . 15743 1 302 . 1 1 30 30 SER CA C 13 61.7 0.3 . 1 . . . . 29 SER CA . 15743 1 303 . 1 1 30 30 SER CB C 13 63.1 0.3 . 1 . . . . 29 SER CB . 15743 1 304 . 1 1 30 30 SER N N 15 118.9 0.3 . 1 . . . . 29 SER N . 15743 1 305 . 1 1 31 31 LEU H H 1 8.36 0.02 . 1 . . . . 30 LEU H . 15743 1 306 . 1 1 31 31 LEU HA H 1 3.87 0.02 . 1 . . . . 30 LEU HA . 15743 1 307 . 1 1 31 31 LEU HB2 H 1 2.14 0.02 . 2 . . . . 30 LEU HB2 . 15743 1 308 . 1 1 31 31 LEU HB3 H 1 2.12 0.02 . 2 . . . . 30 LEU HB3 . 15743 1 309 . 1 1 31 31 LEU HD11 H 1 0.63 0.02 . 1 . . . . 30 LEU HD1 . 15743 1 310 . 1 1 31 31 LEU HD12 H 1 0.63 0.02 . 1 . . . . 30 LEU HD1 . 15743 1 311 . 1 1 31 31 LEU HD13 H 1 0.63 0.02 . 1 . . . . 30 LEU HD1 . 15743 1 312 . 1 1 31 31 LEU HD21 H 1 0.61 0.02 . 1 . . . . 30 LEU HD2 . 15743 1 313 . 1 1 31 31 LEU HD22 H 1 0.61 0.02 . 1 . . . . 30 LEU HD2 . 15743 1 314 . 1 1 31 31 LEU HD23 H 1 0.61 0.02 . 1 . . . . 30 LEU HD2 . 15743 1 315 . 1 1 31 31 LEU HG H 1 2.11 0.02 . 1 . . . . 30 LEU HG . 15743 1 316 . 1 1 31 31 LEU C C 13 179.1 0.3 . 1 . . . . 30 LEU C . 15743 1 317 . 1 1 31 31 LEU CA C 13 58.4 0.3 . 1 . . . . 30 LEU CA . 15743 1 318 . 1 1 31 31 LEU CB C 13 41.1 0.3 . 1 . . . . 30 LEU CB . 15743 1 319 . 1 1 31 31 LEU CD1 C 13 24.7 0.3 . 1 . . . . 30 LEU CD1 . 15743 1 320 . 1 1 31 31 LEU CD2 C 13 22.6 0.3 . 1 . . . . 30 LEU CD2 . 15743 1 321 . 1 1 31 31 LEU CG C 13 26.1 0.3 . 1 . . . . 30 LEU CG . 15743 1 322 . 1 1 31 31 LEU N N 15 122.9 0.3 . 1 . . . . 30 LEU N . 15743 1 323 . 1 1 32 32 ILE H H 1 8.81 0.02 . 1 . . . . 31 ILE H . 15743 1 324 . 1 1 32 32 ILE HA H 1 4.38 0.02 . 1 . . . . 31 ILE HA . 15743 1 325 . 1 1 32 32 ILE HB H 1 1.90 0.02 . 1 . . . . 31 ILE HB . 15743 1 326 . 1 1 32 32 ILE HD11 H 1 0.92 0.02 . 1 . . . . 31 ILE HD1 . 15743 1 327 . 1 1 32 32 ILE HD12 H 1 0.92 0.02 . 1 . . . . 31 ILE HD1 . 15743 1 328 . 1 1 32 32 ILE HD13 H 1 0.92 0.02 . 1 . . . . 31 ILE HD1 . 15743 1 329 . 1 1 32 32 ILE HG21 H 1 0.95 0.02 . 1 . . . . 31 ILE HG2 . 15743 1 330 . 1 1 32 32 ILE HG22 H 1 0.95 0.02 . 1 . . . . 31 ILE HG2 . 15743 1 331 . 1 1 32 32 ILE HG23 H 1 0.95 0.02 . 1 . . . . 31 ILE HG2 . 15743 1 332 . 1 1 32 32 ILE C C 13 182.0 0.3 . 1 . . . . 31 ILE C . 15743 1 333 . 1 1 32 32 ILE CA C 13 63.5 0.3 . 1 . . . . 31 ILE CA . 15743 1 334 . 1 1 32 32 ILE CB C 13 37.6 0.3 . 1 . . . . 31 ILE CB . 15743 1 335 . 1 1 32 32 ILE CD1 C 13 17.0 0.3 . 1 . . . . 31 ILE CD1 . 15743 1 336 . 1 1 32 32 ILE CG1 C 13 28.4 0.3 . 1 . . . . 31 ILE CG1 . 15743 1 337 . 1 1 32 32 ILE CG2 C 13 21.7 0.3 . 1 . . . . 31 ILE CG2 . 15743 1 338 . 1 1 32 32 ILE N N 15 121.2 0.3 . 1 . . . . 31 ILE N . 15743 1 339 . 1 1 33 33 SER H H 1 8.21 0.02 . 1 . . . . 32 SER H . 15743 1 340 . 1 1 33 33 SER HA H 1 4.26 0.02 . 1 . . . . 32 SER HA . 15743 1 341 . 1 1 33 33 SER HB2 H 1 4.07 0.02 . 2 . . . . 32 SER HB2 . 15743 1 342 . 1 1 33 33 SER HB3 H 1 4.05 0.02 . 2 . . . . 32 SER HB3 . 15743 1 343 . 1 1 33 33 SER C C 13 175.5 0.3 . 1 . . . . 32 SER C . 15743 1 344 . 1 1 33 33 SER CA C 13 61.4 0.3 . 1 . . . . 32 SER CA . 15743 1 345 . 1 1 33 33 SER CB C 13 62.7 0.3 . 1 . . . . 32 SER CB . 15743 1 346 . 1 1 33 33 SER N N 15 117.6 0.3 . 1 . . . . 32 SER N . 15743 1 347 . 1 1 34 34 ARG H H 1 7.36 0.02 . 1 . . . . 33 ARG H . 15743 1 348 . 1 1 34 34 ARG HA H 1 4.33 0.02 . 1 . . . . 33 ARG HA . 15743 1 349 . 1 1 34 34 ARG HB2 H 1 2.12 0.02 . 2 . . . . 33 ARG HB2 . 15743 1 350 . 1 1 34 34 ARG HB3 H 1 1.78 0.02 . 2 . . . . 33 ARG HB3 . 15743 1 351 . 1 1 34 34 ARG HD2 H 1 3.07 0.02 . 2 . . . . 33 ARG HD2 . 15743 1 352 . 1 1 34 34 ARG HD3 H 1 2.79 0.02 . 2 . . . . 33 ARG HD3 . 15743 1 353 . 1 1 34 34 ARG HG2 H 1 1.72 0.02 . 2 . . . . 33 ARG HG2 . 15743 1 354 . 1 1 34 34 ARG HG3 H 1 1.55 0.02 . 2 . . . . 33 ARG HG3 . 15743 1 355 . 1 1 34 34 ARG C C 13 175.5 0.3 . 1 . . . . 33 ARG C . 15743 1 356 . 1 1 34 34 ARG CA C 13 56.0 0.3 . 1 . . . . 33 ARG CA . 15743 1 357 . 1 1 34 34 ARG CB C 13 30.5 0.3 . 1 . . . . 33 ARG CB . 15743 1 358 . 1 1 34 34 ARG CD C 13 43.3 0.3 . 1 . . . . 33 ARG CD . 15743 1 359 . 1 1 34 34 ARG CG C 13 28.7 0.3 . 1 . . . . 33 ARG CG . 15743 1 360 . 1 1 34 34 ARG N N 15 119.0 0.3 . 1 . . . . 33 ARG N . 15743 1 361 . 1 1 35 35 GLY H H 1 7.65 0.02 . 1 . . . . 34 GLY H . 15743 1 362 . 1 1 35 35 GLY HA2 H 1 4.22 0.02 . 2 . . . . 34 GLY HA2 . 15743 1 363 . 1 1 35 35 GLY HA3 H 1 3.47 0.02 . 2 . . . . 34 GLY HA3 . 15743 1 364 . 1 1 35 35 GLY C C 13 173.0 0.3 . 1 . . . . 34 GLY C . 15743 1 365 . 1 1 35 35 GLY CA C 13 44.8 0.3 . 1 . . . . 34 GLY CA . 15743 1 366 . 1 1 35 35 GLY N N 15 106.0 0.3 . 1 . . . . 34 GLY N . 15743 1 367 . 1 1 36 36 ALA H H 1 7.66 0.02 . 1 . . . . 35 ALA H . 15743 1 368 . 1 1 36 36 ALA HA H 1 4.31 0.02 . 1 . . . . 35 ALA HA . 15743 1 369 . 1 1 36 36 ALA HB1 H 1 1.17 0.02 . 1 . . . . 35 ALA HB . 15743 1 370 . 1 1 36 36 ALA HB2 H 1 1.17 0.02 . 1 . . . . 35 ALA HB . 15743 1 371 . 1 1 36 36 ALA HB3 H 1 1.17 0.02 . 1 . . . . 35 ALA HB . 15743 1 372 . 1 1 36 36 ALA C C 13 175.1 0.3 . 1 . . . . 35 ALA C . 15743 1 373 . 1 1 36 36 ALA CA C 13 49.9 0.3 . 1 . . . . 35 ALA CA . 15743 1 374 . 1 1 36 36 ALA CB C 13 20.3 0.3 . 1 . . . . 35 ALA CB . 15743 1 375 . 1 1 36 36 ALA N N 15 121.0 0.3 . 1 . . . . 35 ALA N . 15743 1 376 . 1 1 37 37 LEU H H 1 7.17 0.02 . 1 . . . . 36 LEU H . 15743 1 377 . 1 1 37 37 LEU HA H 1 4.61 0.02 . 1 . . . . 36 LEU HA . 15743 1 378 . 1 1 37 37 LEU HB2 H 1 1.54 0.02 . 2 . . . . 36 LEU HB2 . 15743 1 379 . 1 1 37 37 LEU HB3 H 1 1.52 0.02 . 2 . . . . 36 LEU HB3 . 15743 1 380 . 1 1 37 37 LEU HD11 H 1 0.82 0.02 . 1 . . . . 36 LEU HD1 . 15743 1 381 . 1 1 37 37 LEU HD12 H 1 0.82 0.02 . 1 . . . . 36 LEU HD1 . 15743 1 382 . 1 1 37 37 LEU HD13 H 1 0.82 0.02 . 1 . . . . 36 LEU HD1 . 15743 1 383 . 1 1 37 37 LEU HD21 H 1 0.76 0.02 . 1 . . . . 36 LEU HD2 . 15743 1 384 . 1 1 37 37 LEU HD22 H 1 0.76 0.02 . 1 . . . . 36 LEU HD2 . 15743 1 385 . 1 1 37 37 LEU HD23 H 1 0.76 0.02 . 1 . . . . 36 LEU HD2 . 15743 1 386 . 1 1 37 37 LEU C C 13 176.5 0.3 . 1 . . . . 36 LEU C . 15743 1 387 . 1 1 37 37 LEU CA C 13 52.8 0.3 . 1 . . . . 36 LEU CA . 15743 1 388 . 1 1 37 37 LEU CB C 13 43.3 0.3 . 1 . . . . 36 LEU CB . 15743 1 389 . 1 1 37 37 LEU CD1 C 13 21.8 0.3 . 1 . . . . 36 LEU CD1 . 15743 1 390 . 1 1 37 37 LEU CD2 C 13 21.7 0.3 . 1 . . . . 36 LEU CD2 . 15743 1 391 . 1 1 37 37 LEU CG C 13 25.1 0.3 . 1 . . . . 36 LEU CG . 15743 1 392 . 1 1 37 37 LEU N N 15 116.4 0.3 . 1 . . . . 36 LEU N . 15743 1 393 . 1 1 38 38 ASN H H 1 8.49 0.02 . 1 . . . . 37 ASN H . 15743 1 394 . 1 1 38 38 ASN HA H 1 4.35 0.02 . 1 . . . . 37 ASN HA . 15743 1 395 . 1 1 38 38 ASN HB2 H 1 2.64 0.02 . 2 . . . . 37 ASN HB2 . 15743 1 396 . 1 1 38 38 ASN HB3 H 1 2.63 0.02 . 2 . . . . 37 ASN HB3 . 15743 1 397 . 1 1 38 38 ASN HD21 H 1 7.68 0.02 . 1 . . . . 37 ASN HD21 . 15743 1 398 . 1 1 38 38 ASN HD22 H 1 6.96 0.02 . 1 . . . . 37 ASN HD22 . 15743 1 399 . 1 1 38 38 ASN C C 13 175.1 0.3 . 1 . . . . 37 ASN C . 15743 1 400 . 1 1 38 38 ASN CA C 13 52.2 0.3 . 1 . . . . 37 ASN CA . 15743 1 401 . 1 1 38 38 ASN CB C 13 38.7 0.3 . 1 . . . . 37 ASN CB . 15743 1 402 . 1 1 38 38 ASN N N 15 116.4 0.3 . 1 . . . . 37 ASN N . 15743 1 403 . 1 1 38 38 ASN ND2 N 15 113.3 0.3 . 1 . . . . 37 ASN ND2 . 15743 1 404 . 1 1 39 39 ASP H H 1 7.74 0.02 . 1 . . . . 38 ASP H . 15743 1 405 . 1 1 39 39 ASP HA H 1 3.66 0.02 . 1 . . . . 38 ASP HA . 15743 1 406 . 1 1 39 39 ASP HB2 H 1 2.79 0.02 . 2 . . . . 38 ASP HB2 . 15743 1 407 . 1 1 39 39 ASP HB3 H 1 2.44 0.02 . 2 . . . . 38 ASP HB3 . 15743 1 408 . 1 1 39 39 ASP C C 13 174.4 0.3 . 1 . . . . 38 ASP C . 15743 1 409 . 1 1 39 39 ASP CA C 13 55.4 0.3 . 1 . . . . 38 ASP CA . 15743 1 410 . 1 1 39 39 ASP CB C 13 38.7 0.3 . 1 . . . . 38 ASP CB . 15743 1 411 . 1 1 39 39 ASP N N 15 123.1 0.3 . 1 . . . . 38 ASP N . 15743 1 412 . 1 1 40 40 ASP H H 1 9.14 0.02 . 1 . . . . 39 ASP H . 15743 1 413 . 1 1 40 40 ASP HA H 1 5.16 0.02 . 1 . . . . 39 ASP HA . 15743 1 414 . 1 1 40 40 ASP HB2 H 1 2.29 0.02 . 2 . . . . 39 ASP HB2 . 15743 1 415 . 1 1 40 40 ASP HB3 H 1 2.26 0.02 . 2 . . . . 39 ASP HB3 . 15743 1 416 . 1 1 40 40 ASP C C 13 177.2 0.3 . 1 . . . . 39 ASP C . 15743 1 417 . 1 1 40 40 ASP CA C 13 54.4 0.3 . 1 . . . . 39 ASP CA . 15743 1 418 . 1 1 40 40 ASP CB C 13 48.5 0.3 . 1 . . . . 39 ASP CB . 15743 1 419 . 1 1 40 40 ASP N N 15 113.1 0.3 . 1 . . . . 39 ASP N . 15743 1 420 . 1 1 41 41 LEU H H 1 7.89 0.02 . 1 . . . . 40 LEU H . 15743 1 421 . 1 1 41 41 LEU HA H 1 4.36 0.02 . 1 . . . . 40 LEU HA . 15743 1 422 . 1 1 41 41 LEU HB2 H 1 1.86 0.02 . 2 . . . . 40 LEU HB2 . 15743 1 423 . 1 1 41 41 LEU HB3 H 1 1.83 0.02 . 2 . . . . 40 LEU HB3 . 15743 1 424 . 1 1 41 41 LEU HD11 H 1 0.85 0.02 . 1 . . . . 40 LEU HD1 . 15743 1 425 . 1 1 41 41 LEU HD12 H 1 0.85 0.02 . 1 . . . . 40 LEU HD1 . 15743 1 426 . 1 1 41 41 LEU HD13 H 1 0.85 0.02 . 1 . . . . 40 LEU HD1 . 15743 1 427 . 1 1 41 41 LEU HD21 H 1 0.84 0.02 . 1 . . . . 40 LEU HD2 . 15743 1 428 . 1 1 41 41 LEU HD22 H 1 0.84 0.02 . 1 . . . . 40 LEU HD2 . 15743 1 429 . 1 1 41 41 LEU HD23 H 1 0.84 0.02 . 1 . . . . 40 LEU HD2 . 15743 1 430 . 1 1 41 41 LEU HG H 1 1.80 0.02 . 1 . . . . 40 LEU HG . 15743 1 431 . 1 1 41 41 LEU C C 13 179.0 0.3 . 1 . . . . 40 LEU C . 15743 1 432 . 1 1 41 41 LEU CA C 13 56.9 0.3 . 1 . . . . 40 LEU CA . 15743 1 433 . 1 1 41 41 LEU CB C 13 42.2 0.3 . 1 . . . . 40 LEU CB . 15743 1 434 . 1 1 41 41 LEU CD1 C 13 23.1 0.3 . 1 . . . . 40 LEU CD1 . 15743 1 435 . 1 1 41 41 LEU CD2 C 13 23.0 0.3 . 1 . . . . 40 LEU CD2 . 15743 1 436 . 1 1 41 41 LEU CG C 13 26.1 0.3 . 1 . . . . 40 LEU CG . 15743 1 437 . 1 1 41 41 LEU N N 15 121.5 0.3 . 1 . . . . 40 LEU N . 15743 1 438 . 1 1 42 42 SER H H 1 9.09 0.02 . 1 . . . . 41 SER H . 15743 1 439 . 1 1 42 42 SER HA H 1 4.94 0.02 . 1 . . . . 41 SER HA . 15743 1 440 . 1 1 42 42 SER HB2 H 1 3.99 0.02 . 2 . . . . 41 SER HB2 . 15743 1 441 . 1 1 42 42 SER HB3 H 1 3.05 0.02 . 2 . . . . 41 SER HB3 . 15743 1 442 . 1 1 42 42 SER C C 13 172.3 0.3 . 1 . . . . 41 SER C . 15743 1 443 . 1 1 42 42 SER CA C 13 60.0 0.3 . 1 . . . . 41 SER CA . 15743 1 444 . 1 1 42 42 SER CB C 13 68.1 0.3 . 1 . . . . 41 SER CB . 15743 1 445 . 1 1 42 42 SER N N 15 115.2 0.3 . 1 . . . . 41 SER N . 15743 1 446 . 1 1 43 43 SER H H 1 7.79 0.02 . 1 . . . . 42 SER H . 15743 1 447 . 1 1 43 43 SER HA H 1 4.11 0.02 . 1 . . . . 42 SER HA . 15743 1 448 . 1 1 43 43 SER HB2 H 1 3.87 0.02 . 2 . . . . 42 SER HB2 . 15743 1 449 . 1 1 43 43 SER HB3 H 1 3.83 0.02 . 2 . . . . 42 SER HB3 . 15743 1 450 . 1 1 43 43 SER C C 13 173.2 0.3 . 1 . . . . 42 SER C . 15743 1 451 . 1 1 43 43 SER CA C 13 59.7 0.3 . 1 . . . . 42 SER CA . 15743 1 452 . 1 1 43 43 SER CB C 13 65.1 0.3 . 1 . . . . 42 SER CB . 15743 1 453 . 1 1 43 43 SER N N 15 110.5 0.3 . 1 . . . . 42 SER N . 15743 1 454 . 1 1 44 44 ALA H H 1 8.90 0.02 . 1 . . . . 43 ALA H . 15743 1 455 . 1 1 44 44 ALA HA H 1 5.78 0.02 . 1 . . . . 43 ALA HA . 15743 1 456 . 1 1 44 44 ALA HB1 H 1 0.99 0.02 . 1 . . . . 43 ALA HB . 15743 1 457 . 1 1 44 44 ALA HB2 H 1 0.99 0.02 . 1 . . . . 43 ALA HB . 15743 1 458 . 1 1 44 44 ALA HB3 H 1 0.99 0.02 . 1 . . . . 43 ALA HB . 15743 1 459 . 1 1 44 44 ALA C C 13 175.7 0.3 . 1 . . . . 43 ALA C . 15743 1 460 . 1 1 44 44 ALA CA C 13 51.9 0.3 . 1 . . . . 43 ALA CA . 15743 1 461 . 1 1 44 44 ALA CB C 13 23.3 0.3 . 1 . . . . 43 ALA CB . 15743 1 462 . 1 1 44 44 ALA N N 15 118.6 0.3 . 1 . . . . 43 ALA N . 15743 1 463 . 1 1 45 45 ARG H H 1 9.84 0.02 . 1 . . . . 44 ARG H . 15743 1 464 . 1 1 45 45 ARG HA H 1 4.60 0.02 . 1 . . . . 44 ARG HA . 15743 1 465 . 1 1 45 45 ARG HB2 H 1 1.73 0.02 . 2 . . . . 44 ARG HB2 . 15743 1 466 . 1 1 45 45 ARG HB3 H 1 1.69 0.02 . 2 . . . . 44 ARG HB3 . 15743 1 467 . 1 1 45 45 ARG HD2 H 1 2.73 0.02 . 2 . . . . 44 ARG HD2 . 15743 1 468 . 1 1 45 45 ARG HD3 H 1 2.70 0.02 . 2 . . . . 44 ARG HD3 . 15743 1 469 . 1 1 45 45 ARG HG2 H 1 1.03 0.02 . 2 . . . . 44 ARG HG2 . 15743 1 470 . 1 1 45 45 ARG HG3 H 1 1.00 0.02 . 2 . . . . 44 ARG HG3 . 15743 1 471 . 1 1 45 45 ARG C C 13 175.5 0.3 . 1 . . . . 44 ARG C . 15743 1 472 . 1 1 45 45 ARG CA C 13 55.2 0.3 . 1 . . . . 44 ARG CA . 15743 1 473 . 1 1 45 45 ARG CB C 13 32.1 0.3 . 1 . . . . 44 ARG CB . 15743 1 474 . 1 1 45 45 ARG CD C 13 43.5 0.3 . 1 . . . . 44 ARG CD . 15743 1 475 . 1 1 45 45 ARG CG C 13 27.9 0.3 . 1 . . . . 44 ARG CG . 15743 1 476 . 1 1 45 45 ARG N N 15 122.6 0.3 . 1 . . . . 44 ARG N . 15743 1 477 . 1 1 46 46 VAL H H 1 8.50 0.02 . 1 . . . . 45 VAL H . 15743 1 478 . 1 1 46 46 VAL HA H 1 4.43 0.02 . 1 . . . . 45 VAL HA . 15743 1 479 . 1 1 46 46 VAL HB H 1 1.43 0.02 . 1 . . . . 45 VAL HB . 15743 1 480 . 1 1 46 46 VAL HG11 H 1 0.65 0.02 . 1 . . . . 45 VAL HG1 . 15743 1 481 . 1 1 46 46 VAL HG12 H 1 0.65 0.02 . 1 . . . . 45 VAL HG1 . 15743 1 482 . 1 1 46 46 VAL HG13 H 1 0.65 0.02 . 1 . . . . 45 VAL HG1 . 15743 1 483 . 1 1 46 46 VAL HG21 H 1 0.63 0.02 . 1 . . . . 45 VAL HG2 . 15743 1 484 . 1 1 46 46 VAL HG22 H 1 0.63 0.02 . 1 . . . . 45 VAL HG2 . 15743 1 485 . 1 1 46 46 VAL HG23 H 1 0.63 0.02 . 1 . . . . 45 VAL HG2 . 15743 1 486 . 1 1 46 46 VAL C C 13 171.8 0.3 . 1 . . . . 45 VAL C . 15743 1 487 . 1 1 46 46 VAL CA C 13 58.4 0.3 . 1 . . . . 45 VAL CA . 15743 1 488 . 1 1 46 46 VAL CB C 13 34.5 0.3 . 1 . . . . 45 VAL CB . 15743 1 489 . 1 1 46 46 VAL N N 15 123.1 0.3 . 1 . . . . 45 VAL N . 15743 1 490 . 1 1 47 47 PRO HA H 1 4.46 0.02 . 1 . . . . 46 PRO HA . 15743 1 491 . 1 1 47 47 PRO HB2 H 1 2.27 0.02 . 2 . . . . 46 PRO HB2 . 15743 1 492 . 1 1 47 47 PRO HB3 H 1 2.05 0.02 . 2 . . . . 46 PRO HB3 . 15743 1 493 . 1 1 47 47 PRO HD2 H 1 3.68 0.02 . 2 . . . . 46 PRO HD2 . 15743 1 494 . 1 1 47 47 PRO HD3 H 1 3.45 0.02 . 2 . . . . 46 PRO HD3 . 15743 1 495 . 1 1 47 47 PRO HG2 H 1 1.76 0.02 . 2 . . . . 46 PRO HG2 . 15743 1 496 . 1 1 47 47 PRO HG3 H 1 1.69 0.02 . 2 . . . . 46 PRO HG3 . 15743 1 497 . 1 1 47 47 PRO C C 13 174.9 0.3 . 1 . . . . 46 PRO C . 15743 1 498 . 1 1 47 47 PRO CA C 13 62.1 0.3 . 1 . . . . 46 PRO CA . 15743 1 499 . 1 1 47 47 PRO CB C 13 32.5 0.3 . 1 . . . . 46 PRO CB . 15743 1 500 . 1 1 47 47 PRO CD C 13 52.0 0.3 . 1 . . . . 46 PRO CD . 15743 1 501 . 1 1 47 47 PRO CG C 13 27.4 0.3 . 1 . . . . 46 PRO CG . 15743 1 502 . 1 1 48 48 SER H H 1 8.14 0.02 . 1 . . . . 47 SER H . 15743 1 503 . 1 1 48 48 SER HA H 1 4.29 0.02 . 1 . . . . 47 SER HA . 15743 1 504 . 1 1 48 48 SER HB2 H 1 3.90 0.02 . 2 . . . . 47 SER HB2 . 15743 1 505 . 1 1 48 48 SER HB3 H 1 3.86 0.02 . 2 . . . . 47 SER HB3 . 15743 1 506 . 1 1 48 48 SER C C 13 176.1 0.3 . 1 . . . . 47 SER C . 15743 1 507 . 1 1 48 48 SER CA C 13 59.8 0.3 . 1 . . . . 47 SER CA . 15743 1 508 . 1 1 48 48 SER CB C 13 63.0 0.3 . 1 . . . . 47 SER CB . 15743 1 509 . 1 1 48 48 SER N N 15 113.3 0.3 . 1 . . . . 47 SER N . 15743 1 510 . 1 1 49 49 GLY H H 1 8.82 0.02 . 1 . . . . 48 GLY H . 15743 1 511 . 1 1 49 49 GLY HA2 H 1 4.52 0.02 . 2 . . . . 48 GLY HA2 . 15743 1 512 . 1 1 49 49 GLY HA3 H 1 3.65 0.02 . 2 . . . . 48 GLY HA3 . 15743 1 513 . 1 1 49 49 GLY C C 13 174.3 0.3 . 1 . . . . 48 GLY C . 15743 1 514 . 1 1 49 49 GLY CA C 13 44.9 0.3 . 1 . . . . 48 GLY CA . 15743 1 515 . 1 1 49 49 GLY N N 15 114.5 0.3 . 1 . . . . 48 GLY N . 15743 1 516 . 1 1 50 50 LEU H H 1 8.07 0.02 . 1 . . . . 49 LEU H . 15743 1 517 . 1 1 50 50 LEU HA H 1 5.21 0.02 . 1 . . . . 49 LEU HA . 15743 1 518 . 1 1 50 50 LEU HB2 H 1 1.77 0.02 . 2 . . . . 49 LEU HB2 . 15743 1 519 . 1 1 50 50 LEU HB3 H 1 1.36 0.02 . 2 . . . . 49 LEU HB3 . 15743 1 520 . 1 1 50 50 LEU HD11 H 1 0.63 0.02 . 1 . . . . 49 LEU HD1 . 15743 1 521 . 1 1 50 50 LEU HD12 H 1 0.63 0.02 . 1 . . . . 49 LEU HD1 . 15743 1 522 . 1 1 50 50 LEU HD13 H 1 0.63 0.02 . 1 . . . . 49 LEU HD1 . 15743 1 523 . 1 1 50 50 LEU HD21 H 1 0.60 0.02 . 1 . . . . 49 LEU HD2 . 15743 1 524 . 1 1 50 50 LEU HD22 H 1 0.60 0.02 . 1 . . . . 49 LEU HD2 . 15743 1 525 . 1 1 50 50 LEU HD23 H 1 0.60 0.02 . 1 . . . . 49 LEU HD2 . 15743 1 526 . 1 1 50 50 LEU HG H 1 1.13 0.02 . 1 . . . . 49 LEU HG . 15743 1 527 . 1 1 50 50 LEU C C 13 174.3 0.3 . 1 . . . . 49 LEU C . 15743 1 528 . 1 1 50 50 LEU CA C 13 53.3 0.3 . 1 . . . . 49 LEU CA . 15743 1 529 . 1 1 50 50 LEU CB C 13 44.6 0.3 . 1 . . . . 49 LEU CB . 15743 1 530 . 1 1 50 50 LEU CG C 13 34.0 0.3 . 1 . . . . 49 LEU CG . 15743 1 531 . 1 1 50 50 LEU N N 15 121.3 0.3 . 1 . . . . 49 LEU N . 15743 1 532 . 1 1 51 51 ARG H H 1 8.89 0.02 . 1 . . . . 50 ARG H . 15743 1 533 . 1 1 51 51 ARG HA H 1 4.67 0.02 . 1 . . . . 50 ARG HA . 15743 1 534 . 1 1 51 51 ARG HB2 H 1 1.75 0.02 . 2 . . . . 50 ARG HB2 . 15743 1 535 . 1 1 51 51 ARG HB3 H 1 1.56 0.02 . 2 . . . . 50 ARG HB3 . 15743 1 536 . 1 1 51 51 ARG HD2 H 1 2.97 0.02 . 2 . . . . 50 ARG HD2 . 15743 1 537 . 1 1 51 51 ARG HD3 H 1 2.94 0.02 . 2 . . . . 50 ARG HD3 . 15743 1 538 . 1 1 51 51 ARG HG2 H 1 1.41 0.02 . 2 . . . . 50 ARG HG2 . 15743 1 539 . 1 1 51 51 ARG HG3 H 1 1.39 0.02 . 2 . . . . 50 ARG HG3 . 15743 1 540 . 1 1 51 51 ARG C C 13 173.8 0.3 . 1 . . . . 50 ARG C . 15743 1 541 . 1 1 51 51 ARG CA C 13 54.6 0.3 . 1 . . . . 50 ARG CA . 15743 1 542 . 1 1 51 51 ARG CB C 13 33.3 0.3 . 1 . . . . 50 ARG CB . 15743 1 543 . 1 1 51 51 ARG CD C 13 43.6 0.3 . 1 . . . . 50 ARG CD . 15743 1 544 . 1 1 51 51 ARG CG C 13 27.7 0.3 . 1 . . . . 50 ARG CG . 15743 1 545 . 1 1 51 51 ARG N N 15 118.1 0.3 . 1 . . . . 50 ARG N . 15743 1 546 . 1 1 52 52 LEU H H 1 8.95 0.02 . 1 . . . . 51 LEU H . 15743 1 547 . 1 1 52 52 LEU HA H 1 5.21 0.02 . 1 . . . . 51 LEU HA . 15743 1 548 . 1 1 52 52 LEU HB2 H 1 1.01 0.02 . 2 . . . . 51 LEU HB2 . 15743 1 549 . 1 1 52 52 LEU HB3 H 1 0.99 0.02 . 2 . . . . 51 LEU HB3 . 15743 1 550 . 1 1 52 52 LEU HD11 H 1 0.54 0.02 . 1 . . . . 51 LEU HD1 . 15743 1 551 . 1 1 52 52 LEU HD12 H 1 0.54 0.02 . 1 . . . . 51 LEU HD1 . 15743 1 552 . 1 1 52 52 LEU HD13 H 1 0.54 0.02 . 1 . . . . 51 LEU HD1 . 15743 1 553 . 1 1 52 52 LEU HD21 H 1 0.53 0.02 . 1 . . . . 51 LEU HD2 . 15743 1 554 . 1 1 52 52 LEU HD22 H 1 0.53 0.02 . 1 . . . . 51 LEU HD2 . 15743 1 555 . 1 1 52 52 LEU HD23 H 1 0.53 0.02 . 1 . . . . 51 LEU HD2 . 15743 1 556 . 1 1 52 52 LEU HG H 1 2.17 0.02 . 1 . . . . 51 LEU HG . 15743 1 557 . 1 1 52 52 LEU C C 13 174.5 0.3 . 1 . . . . 51 LEU C . 15743 1 558 . 1 1 52 52 LEU CA C 13 53.1 0.3 . 1 . . . . 51 LEU CA . 15743 1 559 . 1 1 52 52 LEU CB C 13 45.4 0.3 . 1 . . . . 51 LEU CB . 15743 1 560 . 1 1 52 52 LEU CG C 13 24.3 0.3 . 1 . . . . 51 LEU CG . 15743 1 561 . 1 1 52 52 LEU N N 15 127.1 0.3 . 1 . . . . 51 LEU N . 15743 1 562 . 1 1 53 53 GLU H H 1 9.62 0.02 . 1 . . . . 52 GLU H . 15743 1 563 . 1 1 53 53 GLU HA H 1 5.19 0.02 . 1 . . . . 52 GLU HA . 15743 1 564 . 1 1 53 53 GLU HB2 H 1 1.87 0.02 . 2 . . . . 52 GLU HB2 . 15743 1 565 . 1 1 53 53 GLU HB3 H 1 1.82 0.02 . 2 . . . . 52 GLU HB3 . 15743 1 566 . 1 1 53 53 GLU HG2 H 1 2.22 0.02 . 2 . . . . 52 GLU HG2 . 15743 1 567 . 1 1 53 53 GLU HG3 H 1 2.19 0.02 . 2 . . . . 52 GLU HG3 . 15743 1 568 . 1 1 53 53 GLU C C 13 174.5 0.3 . 1 . . . . 52 GLU C . 15743 1 569 . 1 1 53 53 GLU CA C 13 54.5 0.3 . 1 . . . . 52 GLU CA . 15743 1 570 . 1 1 53 53 GLU CB C 13 34.0 0.3 . 1 . . . . 52 GLU CB . 15743 1 571 . 1 1 53 53 GLU CG C 13 37.4 0.3 . 1 . . . . 52 GLU CG . 15743 1 572 . 1 1 53 53 GLU N N 15 126.9 0.3 . 1 . . . . 52 GLU N . 15743 1 573 . 1 1 54 54 VAL H H 1 9.10 0.02 . 1 . . . . 53 VAL H . 15743 1 574 . 1 1 54 54 VAL HA H 1 4.68 0.02 . 1 . . . . 53 VAL HA . 15743 1 575 . 1 1 54 54 VAL HB H 1 2.18 0.02 . 1 . . . . 53 VAL HB . 15743 1 576 . 1 1 54 54 VAL HG11 H 1 1.12 0.02 . 1 . . . . 53 VAL HG1 . 15743 1 577 . 1 1 54 54 VAL HG12 H 1 1.12 0.02 . 1 . . . . 53 VAL HG1 . 15743 1 578 . 1 1 54 54 VAL HG13 H 1 1.12 0.02 . 1 . . . . 53 VAL HG1 . 15743 1 579 . 1 1 54 54 VAL HG21 H 1 1.10 0.02 . 1 . . . . 53 VAL HG2 . 15743 1 580 . 1 1 54 54 VAL HG22 H 1 1.10 0.02 . 1 . . . . 53 VAL HG2 . 15743 1 581 . 1 1 54 54 VAL HG23 H 1 1.10 0.02 . 1 . . . . 53 VAL HG2 . 15743 1 582 . 1 1 54 54 VAL C C 13 173.4 0.3 . 1 . . . . 53 VAL C . 15743 1 583 . 1 1 54 54 VAL CA C 13 61.1 0.3 . 1 . . . . 53 VAL CA . 15743 1 584 . 1 1 54 54 VAL CB C 13 33.6 0.3 . 1 . . . . 53 VAL CB . 15743 1 585 . 1 1 54 54 VAL CG1 C 13 23.2 0.3 . 1 . . . . 53 VAL CG1 . 15743 1 586 . 1 1 54 54 VAL CG2 C 13 21.9 0.3 . 1 . . . . 53 VAL CG2 . 15743 1 587 . 1 1 54 54 VAL N N 15 121.8 0.3 . 1 . . . . 53 VAL N . 15743 1 588 . 1 1 55 55 PHE H H 1 8.65 0.02 . 1 . . . . 54 PHE H . 15743 1 589 . 1 1 55 55 PHE HA H 1 5.30 0.02 . 1 . . . . 54 PHE HA . 15743 1 590 . 1 1 55 55 PHE HB2 H 1 3.35 0.02 . 2 . . . . 54 PHE HB2 . 15743 1 591 . 1 1 55 55 PHE HB3 H 1 3.32 0.02 . 2 . . . . 54 PHE HB3 . 15743 1 592 . 1 1 55 55 PHE C C 13 175.2 0.3 . 1 . . . . 54 PHE C . 15743 1 593 . 1 1 55 55 PHE CA C 13 56.8 0.3 . 1 . . . . 54 PHE CA . 15743 1 594 . 1 1 55 55 PHE CB C 13 39.9 0.3 . 1 . . . . 54 PHE CB . 15743 1 595 . 1 1 55 55 PHE N N 15 122.4 0.3 . 1 . . . . 54 PHE N . 15743 1 596 . 1 1 56 56 GLN H H 1 8.37 0.02 . 1 . . . . 55 GLN H . 15743 1 597 . 1 1 56 56 GLN HA H 1 4.21 0.02 . 1 . . . . 55 GLN HA . 15743 1 598 . 1 1 56 56 GLN HB2 H 1 1.28 0.02 . 2 . . . . 55 GLN HB2 . 15743 1 599 . 1 1 56 56 GLN HB3 H 1 1.22 0.02 . 2 . . . . 55 GLN HB3 . 15743 1 600 . 1 1 56 56 GLN HG2 H 1 2.82 0.02 . 2 . . . . 55 GLN HG2 . 15743 1 601 . 1 1 56 56 GLN HG3 H 1 2.78 0.02 . 2 . . . . 55 GLN HG3 . 15743 1 602 . 1 1 56 56 GLN C C 13 176.5 0.3 . 1 . . . . 55 GLN C . 15743 1 603 . 1 1 56 56 GLN CA C 13 56.8 0.3 . 1 . . . . 55 GLN CA . 15743 1 604 . 1 1 56 56 GLN CB C 13 31.7 0.3 . 1 . . . . 55 GLN CB . 15743 1 605 . 1 1 56 56 GLN CG C 13 34.1 0.3 . 1 . . . . 55 GLN CG . 15743 1 606 . 1 1 56 56 GLN N N 15 123.5 0.3 . 1 . . . . 55 GLN N . 15743 1 607 . 1 1 57 57 HIS H H 1 8.40 0.02 . 1 . . . . 56 HIS H . 15743 1 608 . 1 1 57 57 HIS HA H 1 5.60 0.02 . 1 . . . . 56 HIS HA . 15743 1 609 . 1 1 57 57 HIS HB2 H 1 3.20 0.02 . 2 . . . . 56 HIS HB2 . 15743 1 610 . 1 1 57 57 HIS HB3 H 1 2.64 0.02 . 2 . . . . 56 HIS HB3 . 15743 1 611 . 1 1 57 57 HIS C C 13 175.5 0.3 . 1 . . . . 56 HIS C . 15743 1 612 . 1 1 57 57 HIS CA C 13 52.8 0.3 . 1 . . . . 56 HIS CA . 15743 1 613 . 1 1 57 57 HIS CB C 13 33.8 0.3 . 1 . . . . 56 HIS CB . 15743 1 614 . 1 1 57 57 HIS N N 15 115.7 0.3 . 1 . . . . 56 HIS N . 15743 1 615 . 1 1 58 58 ASN H H 1 8.82 0.02 . 1 . . . . 57 ASN H . 15743 1 616 . 1 1 58 58 ASN HA H 1 4.28 0.02 . 1 . . . . 57 ASN HA . 15743 1 617 . 1 1 58 58 ASN HB2 H 1 2.76 0.02 . 2 . . . . 57 ASN HB2 . 15743 1 618 . 1 1 58 58 ASN HB3 H 1 2.73 0.02 . 2 . . . . 57 ASN HB3 . 15743 1 619 . 1 1 58 58 ASN C C 13 175.2 0.3 . 1 . . . . 57 ASN C . 15743 1 620 . 1 1 58 58 ASN CA C 13 51.3 0.3 . 1 . . . . 57 ASN CA . 15743 1 621 . 1 1 58 58 ASN CB C 13 37.9 0.3 . 1 . . . . 57 ASN CB . 15743 1 622 . 1 1 58 58 ASN N N 15 116.1 0.3 . 1 . . . . 57 ASN N . 15743 1 623 . 1 1 59 59 ASN H H 1 8.18 0.02 . 1 . . . . 58 ASN H . 15743 1 624 . 1 1 59 59 ASN HA H 1 3.27 0.02 . 1 . . . . 58 ASN HA . 15743 1 625 . 1 1 59 59 ASN HB2 H 1 2.73 0.02 . 2 . . . . 58 ASN HB2 . 15743 1 626 . 1 1 59 59 ASN HB3 H 1 2.57 0.02 . 2 . . . . 58 ASN HB3 . 15743 1 627 . 1 1 59 59 ASN HD21 H 1 7.51 0.02 . 1 . . . . 58 ASN HD21 . 15743 1 628 . 1 1 59 59 ASN HD22 H 1 6.85 0.02 . 1 . . . . 58 ASN HD22 . 15743 1 629 . 1 1 59 59 ASN C C 13 172.8 0.3 . 1 . . . . 58 ASN C . 15743 1 630 . 1 1 59 59 ASN CA C 13 54.5 0.3 . 1 . . . . 58 ASN CA . 15743 1 631 . 1 1 59 59 ASN CB C 13 36.6 0.3 . 1 . . . . 58 ASN CB . 15743 1 632 . 1 1 59 59 ASN N N 15 113.9 0.3 . 1 . . . . 58 ASN N . 15743 1 633 . 1 1 59 59 ASN ND2 N 15 114.6 0.3 . 1 . . . . 58 ASN ND2 . 15743 1 634 . 1 1 60 60 PHE H H 1 7.76 0.02 . 1 . . . . 59 PHE H . 15743 1 635 . 1 1 60 60 PHE HA H 1 2.80 0.02 . 1 . . . . 59 PHE HA . 15743 1 636 . 1 1 60 60 PHE HB2 H 1 2.67 0.02 . 2 . . . . 59 PHE HB2 . 15743 1 637 . 1 1 60 60 PHE HB3 H 1 1.69 0.02 . 2 . . . . 59 PHE HB3 . 15743 1 638 . 1 1 60 60 PHE C C 13 174.7 0.3 . 1 . . . . 59 PHE C . 15743 1 639 . 1 1 60 60 PHE CA C 13 56.3 0.3 . 1 . . . . 59 PHE CA . 15743 1 640 . 1 1 60 60 PHE CB C 13 34.7 0.3 . 1 . . . . 59 PHE CB . 15743 1 641 . 1 1 60 60 PHE N N 15 112.0 0.3 . 1 . . . . 59 PHE N . 15743 1 642 . 1 1 61 61 LYS H H 1 6.20 0.02 . 1 . . . . 60 LYS H . 15743 1 643 . 1 1 61 61 LYS HA H 1 4.80 0.02 . 1 . . . . 60 LYS HA . 15743 1 644 . 1 1 61 61 LYS HB2 H 1 2.06 0.02 . 2 . . . . 60 LYS HB2 . 15743 1 645 . 1 1 61 61 LYS HB3 H 1 2.01 0.02 . 2 . . . . 60 LYS HB3 . 15743 1 646 . 1 1 61 61 LYS HD2 H 1 1.73 0.02 . 2 . . . . 60 LYS HD2 . 15743 1 647 . 1 1 61 61 LYS HD3 H 1 1.69 0.02 . 2 . . . . 60 LYS HD3 . 15743 1 648 . 1 1 61 61 LYS HE2 H 1 2.97 0.02 . 2 . . . . 60 LYS HE2 . 15743 1 649 . 1 1 61 61 LYS HE3 H 1 2.93 0.02 . 2 . . . . 60 LYS HE3 . 15743 1 650 . 1 1 61 61 LYS HG2 H 1 1.44 0.02 . 2 . . . . 60 LYS HG2 . 15743 1 651 . 1 1 61 61 LYS HG3 H 1 1.41 0.02 . 2 . . . . 60 LYS HG3 . 15743 1 652 . 1 1 61 61 LYS C C 13 175.6 0.3 . 1 . . . . 60 LYS C . 15743 1 653 . 1 1 61 61 LYS CA C 13 54.2 0.3 . 1 . . . . 60 LYS CA . 15743 1 654 . 1 1 61 61 LYS CB C 13 36.0 0.3 . 1 . . . . 60 LYS CB . 15743 1 655 . 1 1 61 61 LYS CD C 13 28.8 0.3 . 1 . . . . 60 LYS CD . 15743 1 656 . 1 1 61 61 LYS CE C 13 42.5 0.3 . 1 . . . . 60 LYS CE . 15743 1 657 . 1 1 61 61 LYS CG C 13 24.8 0.3 . 1 . . . . 60 LYS CG . 15743 1 658 . 1 1 61 61 LYS N N 15 117.4 0.3 . 1 . . . . 60 LYS N . 15743 1 659 . 1 1 62 62 GLY H H 1 8.53 0.02 . 1 . . . . 61 GLY H . 15743 1 660 . 1 1 62 62 GLY HA2 H 1 4.03 0.02 . 2 . . . . 61 GLY HA2 . 15743 1 661 . 1 1 62 62 GLY HA3 H 1 3.78 0.02 . 2 . . . . 61 GLY HA3 . 15743 1 662 . 1 1 62 62 GLY C C 13 173.4 0.3 . 1 . . . . 61 GLY C . 15743 1 663 . 1 1 62 62 GLY CA C 13 44.4 0.3 . 1 . . . . 61 GLY CA . 15743 1 664 . 1 1 62 62 GLY N N 15 106.2 0.3 . 1 . . . . 61 GLY N . 15743 1 665 . 1 1 63 63 VAL H H 1 8.09 0.02 . 1 . . . . 62 VAL H . 15743 1 666 . 1 1 63 63 VAL HA H 1 3.57 0.02 . 1 . . . . 62 VAL HA . 15743 1 667 . 1 1 63 63 VAL HB H 1 1.53 0.02 . 1 . . . . 62 VAL HB . 15743 1 668 . 1 1 63 63 VAL HG11 H 1 0.90 0.02 . 1 . . . . 62 VAL HG1 . 15743 1 669 . 1 1 63 63 VAL HG12 H 1 0.90 0.02 . 1 . . . . 62 VAL HG1 . 15743 1 670 . 1 1 63 63 VAL HG13 H 1 0.90 0.02 . 1 . . . . 62 VAL HG1 . 15743 1 671 . 1 1 63 63 VAL HG21 H 1 0.78 0.02 . 1 . . . . 62 VAL HG2 . 15743 1 672 . 1 1 63 63 VAL HG22 H 1 0.78 0.02 . 1 . . . . 62 VAL HG2 . 15743 1 673 . 1 1 63 63 VAL HG23 H 1 0.78 0.02 . 1 . . . . 62 VAL HG2 . 15743 1 674 . 1 1 63 63 VAL C C 13 174.8 0.3 . 1 . . . . 62 VAL C . 15743 1 675 . 1 1 63 63 VAL CA C 13 65.3 0.3 . 1 . . . . 62 VAL CA . 15743 1 676 . 1 1 63 63 VAL CB C 13 32.0 0.3 . 1 . . . . 62 VAL CB . 15743 1 677 . 1 1 63 63 VAL CG1 C 13 22.2 0.3 . 1 . . . . 62 VAL CG1 . 15743 1 678 . 1 1 63 63 VAL CG2 C 13 22.1 0.3 . 1 . . . . 62 VAL CG2 . 15743 1 679 . 1 1 63 63 VAL N N 15 120.3 0.3 . 1 . . . . 62 VAL N . 15743 1 680 . 1 1 64 64 ARG H H 1 8.23 0.02 . 1 . . . . 63 ARG H . 15743 1 681 . 1 1 64 64 ARG HA H 1 4.77 0.02 . 1 . . . . 63 ARG HA . 15743 1 682 . 1 1 64 64 ARG HB2 H 1 1.61 0.02 . 2 . . . . 63 ARG HB2 . 15743 1 683 . 1 1 64 64 ARG HB3 H 1 1.50 0.02 . 2 . . . . 63 ARG HB3 . 15743 1 684 . 1 1 64 64 ARG HD2 H 1 3.09 0.02 . 2 . . . . 63 ARG HD2 . 15743 1 685 . 1 1 64 64 ARG HD3 H 1 3.02 0.02 . 2 . . . . 63 ARG HD3 . 15743 1 686 . 1 1 64 64 ARG HG2 H 1 0.65 0.02 . 2 . . . . 63 ARG HG2 . 15743 1 687 . 1 1 64 64 ARG HG3 H 1 0.63 0.02 . 2 . . . . 63 ARG HG3 . 15743 1 688 . 1 1 64 64 ARG C C 13 175.2 0.3 . 1 . . . . 63 ARG C . 15743 1 689 . 1 1 64 64 ARG CA C 13 53.2 0.3 . 1 . . . . 63 ARG CA . 15743 1 690 . 1 1 64 64 ARG CB C 13 32.4 0.3 . 1 . . . . 63 ARG CB . 15743 1 691 . 1 1 64 64 ARG CD C 13 43.5 0.3 . 1 . . . . 63 ARG CD . 15743 1 692 . 1 1 64 64 ARG CG C 13 26.6 0.3 . 1 . . . . 63 ARG CG . 15743 1 693 . 1 1 64 64 ARG N N 15 128.9 0.3 . 1 . . . . 63 ARG N . 15743 1 694 . 1 1 65 65 ASP H H 1 8.73 0.02 . 1 . . . . 64 ASP H . 15743 1 695 . 1 1 65 65 ASP HA H 1 4.95 0.02 . 1 . . . . 64 ASP HA . 15743 1 696 . 1 1 65 65 ASP HB2 H 1 2.35 0.02 . 2 . . . . 64 ASP HB2 . 15743 1 697 . 1 1 65 65 ASP HB3 H 1 2.33 0.02 . 2 . . . . 64 ASP HB3 . 15743 1 698 . 1 1 65 65 ASP C C 13 173.9 0.3 . 1 . . . . 64 ASP C . 15743 1 699 . 1 1 65 65 ASP CA C 13 53.2 0.3 . 1 . . . . 64 ASP CA . 15743 1 700 . 1 1 65 65 ASP CB C 13 45.9 0.3 . 1 . . . . 64 ASP CB . 15743 1 701 . 1 1 65 65 ASP N N 15 126.5 0.3 . 1 . . . . 64 ASP N . 15743 1 702 . 1 1 66 66 PHE H H 1 8.22 0.02 . 1 . . . . 65 PHE H . 15743 1 703 . 1 1 66 66 PHE HA H 1 5.71 0.02 . 1 . . . . 65 PHE HA . 15743 1 704 . 1 1 66 66 PHE HB2 H 1 2.76 0.02 . 2 . . . . 65 PHE HB2 . 15743 1 705 . 1 1 66 66 PHE HB3 H 1 2.74 0.02 . 2 . . . . 65 PHE HB3 . 15743 1 706 . 1 1 66 66 PHE C C 13 173.9 0.3 . 1 . . . . 65 PHE C . 15743 1 707 . 1 1 66 66 PHE CA C 13 55.1 0.3 . 1 . . . . 65 PHE CA . 15743 1 708 . 1 1 66 66 PHE CB C 13 42.7 0.3 . 1 . . . . 65 PHE CB . 15743 1 709 . 1 1 66 66 PHE N N 15 118.9 0.3 . 1 . . . . 65 PHE N . 15743 1 710 . 1 1 67 67 TYR H H 1 9.38 0.02 . 1 . . . . 66 TYR H . 15743 1 711 . 1 1 67 67 TYR HA H 1 4.87 0.02 . 1 . . . . 66 TYR HA . 15743 1 712 . 1 1 67 67 TYR HB2 H 1 3.38 0.02 . 2 . . . . 66 TYR HB2 . 15743 1 713 . 1 1 67 67 TYR HB3 H 1 2.70 0.02 . 2 . . . . 66 TYR HB3 . 15743 1 714 . 1 1 67 67 TYR C C 13 175.6 0.3 . 1 . . . . 66 TYR C . 15743 1 715 . 1 1 67 67 TYR CA C 13 57.1 0.3 . 1 . . . . 66 TYR CA . 15743 1 716 . 1 1 67 67 TYR CB C 13 42.0 0.3 . 1 . . . . 66 TYR CB . 15743 1 717 . 1 1 67 67 TYR N N 15 119.4 0.3 . 1 . . . . 66 TYR N . 15743 1 718 . 1 1 68 68 THR H H 1 9.18 0.02 . 1 . . . . 67 THR H . 15743 1 719 . 1 1 68 68 THR HA H 1 4.79 0.02 . 1 . . . . 67 THR HA . 15743 1 720 . 1 1 68 68 THR HB H 1 4.35 0.02 . 1 . . . . 67 THR HB . 15743 1 721 . 1 1 68 68 THR HG1 H 1 2.24 0.02 . 1 . . . . 67 THR HG1 . 15743 1 722 . 1 1 68 68 THR HG21 H 1 1.19 0.02 . 1 . . . . 67 THR HG2 . 15743 1 723 . 1 1 68 68 THR HG22 H 1 1.19 0.02 . 1 . . . . 67 THR HG2 . 15743 1 724 . 1 1 68 68 THR HG23 H 1 1.19 0.02 . 1 . . . . 67 THR HG2 . 15743 1 725 . 1 1 68 68 THR C C 13 172.8 0.3 . 1 . . . . 67 THR C . 15743 1 726 . 1 1 68 68 THR CA C 13 60.4 0.3 . 1 . . . . 67 THR CA . 15743 1 727 . 1 1 68 68 THR CB C 13 68.9 0.3 . 1 . . . . 67 THR CB . 15743 1 728 . 1 1 68 68 THR CG2 C 13 22.2 0.3 . 1 . . . . 67 THR CG2 . 15743 1 729 . 1 1 68 68 THR N N 15 112.1 0.3 . 1 . . . . 67 THR N . 15743 1 730 . 1 1 69 69 SER H H 1 7.90 0.02 . 1 . . . . 68 SER H . 15743 1 731 . 1 1 69 69 SER HA H 1 4.82 0.02 . 1 . . . . 68 SER HA . 15743 1 732 . 1 1 69 69 SER HB2 H 1 4.03 0.02 . 2 . . . . 68 SER HB2 . 15743 1 733 . 1 1 69 69 SER HB3 H 1 4.01 0.02 . 2 . . . . 68 SER HB3 . 15743 1 734 . 1 1 69 69 SER C C 13 172.5 0.3 . 1 . . . . 68 SER C . 15743 1 735 . 1 1 69 69 SER CA C 13 57.0 0.3 . 1 . . . . 68 SER CA . 15743 1 736 . 1 1 69 69 SER CB C 13 64.8 0.3 . 1 . . . . 68 SER CB . 15743 1 737 . 1 1 69 69 SER N N 15 115.5 0.3 . 1 . . . . 68 SER N . 15743 1 738 . 1 1 70 70 ASP H H 1 8.04 0.02 . 1 . . . . 69 ASP H . 15743 1 739 . 1 1 70 70 ASP HA H 1 4.47 0.02 . 1 . . . . 69 ASP HA . 15743 1 740 . 1 1 70 70 ASP HB2 H 1 2.71 0.02 . 2 . . . . 69 ASP HB2 . 15743 1 741 . 1 1 70 70 ASP HB3 H 1 2.69 0.02 . 2 . . . . 69 ASP HB3 . 15743 1 742 . 1 1 70 70 ASP C C 13 175.8 0.3 . 1 . . . . 69 ASP C . 15743 1 743 . 1 1 70 70 ASP CA C 13 56.3 0.3 . 1 . . . . 69 ASP CA . 15743 1 744 . 1 1 70 70 ASP CB C 13 41.2 0.3 . 1 . . . . 69 ASP CB . 15743 1 745 . 1 1 70 70 ASP N N 15 117.9 0.3 . 1 . . . . 69 ASP N . 15743 1 746 . 1 1 71 71 ALA H H 1 9.42 0.02 . 1 . . . . 70 ALA H . 15743 1 747 . 1 1 71 71 ALA HA H 1 4.81 0.02 . 1 . . . . 70 ALA HA . 15743 1 748 . 1 1 71 71 ALA HB1 H 1 1.07 0.02 . 1 . . . . 70 ALA HB . 15743 1 749 . 1 1 71 71 ALA HB2 H 1 1.07 0.02 . 1 . . . . 70 ALA HB . 15743 1 750 . 1 1 71 71 ALA HB3 H 1 1.07 0.02 . 1 . . . . 70 ALA HB . 15743 1 751 . 1 1 71 71 ALA C C 13 175.0 0.3 . 1 . . . . 70 ALA C . 15743 1 752 . 1 1 71 71 ALA CA C 13 50.2 0.3 . 1 . . . . 70 ALA CA . 15743 1 753 . 1 1 71 71 ALA CB C 13 20.3 0.3 . 1 . . . . 70 ALA CB . 15743 1 754 . 1 1 71 71 ALA N N 15 126.0 0.3 . 1 . . . . 70 ALA N . 15743 1 755 . 1 1 72 72 ALA H H 1 8.75 0.02 . 1 . . . . 71 ALA H . 15743 1 756 . 1 1 72 72 ALA HA H 1 2.97 0.02 . 1 . . . . 71 ALA HA . 15743 1 757 . 1 1 72 72 ALA HB1 H 1 0.83 0.02 . 1 . . . . 71 ALA HB . 15743 1 758 . 1 1 72 72 ALA HB2 H 1 0.83 0.02 . 1 . . . . 71 ALA HB . 15743 1 759 . 1 1 72 72 ALA HB3 H 1 0.83 0.02 . 1 . . . . 71 ALA HB . 15743 1 760 . 1 1 72 72 ALA C C 13 175.7 0.3 . 1 . . . . 71 ALA C . 15743 1 761 . 1 1 72 72 ALA CA C 13 54.4 0.3 . 1 . . . . 71 ALA CA . 15743 1 762 . 1 1 72 72 ALA CB C 13 17.8 0.3 . 1 . . . . 71 ALA CB . 15743 1 763 . 1 1 72 72 ALA N N 15 127.8 0.3 . 1 . . . . 71 ALA N . 15743 1 764 . 1 1 73 73 GLU H H 1 7.36 0.02 . 1 . . . . 72 GLU H . 15743 1 765 . 1 1 73 73 GLU HA H 1 4.45 0.02 . 1 . . . . 72 GLU HA . 15743 1 766 . 1 1 73 73 GLU HB2 H 1 1.67 0.02 . 2 . . . . 72 GLU HB2 . 15743 1 767 . 1 1 73 73 GLU HB3 H 1 1.42 0.02 . 2 . . . . 72 GLU HB3 . 15743 1 768 . 1 1 73 73 GLU HG2 H 1 2.03 0.02 . 2 . . . . 72 GLU HG2 . 15743 1 769 . 1 1 73 73 GLU HG3 H 1 1.86 0.02 . 2 . . . . 72 GLU HG3 . 15743 1 770 . 1 1 73 73 GLU C C 13 175.5 0.3 . 1 . . . . 72 GLU C . 15743 1 771 . 1 1 73 73 GLU CA C 13 54.7 0.3 . 1 . . . . 72 GLU CA . 15743 1 772 . 1 1 73 73 GLU CB C 13 32.7 0.3 . 1 . . . . 72 GLU CB . 15743 1 773 . 1 1 73 73 GLU CG C 13 36.2 0.3 . 1 . . . . 72 GLU CG . 15743 1 774 . 1 1 73 73 GLU N N 15 111.7 0.3 . 1 . . . . 72 GLU N . 15743 1 775 . 1 1 74 74 LEU H H 1 7.99 0.02 . 1 . . . . 73 LEU H . 15743 1 776 . 1 1 74 74 LEU HA H 1 4.17 0.02 . 1 . . . . 73 LEU HA . 15743 1 777 . 1 1 74 74 LEU HB2 H 1 1.36 0.02 . 2 . . . . 73 LEU HB2 . 15743 1 778 . 1 1 74 74 LEU HB3 H 1 1.35 0.02 . 2 . . . . 73 LEU HB3 . 15743 1 779 . 1 1 74 74 LEU HD11 H 1 0.10 0.02 . 1 . . . . 73 LEU HD1 . 15743 1 780 . 1 1 74 74 LEU HD12 H 1 0.10 0.02 . 1 . . . . 73 LEU HD1 . 15743 1 781 . 1 1 74 74 LEU HD13 H 1 0.10 0.02 . 1 . . . . 73 LEU HD1 . 15743 1 782 . 1 1 74 74 LEU HD21 H 1 0.09 0.02 . 1 . . . . 73 LEU HD2 . 15743 1 783 . 1 1 74 74 LEU HD22 H 1 0.09 0.02 . 1 . . . . 73 LEU HD2 . 15743 1 784 . 1 1 74 74 LEU HD23 H 1 0.09 0.02 . 1 . . . . 73 LEU HD2 . 15743 1 785 . 1 1 74 74 LEU HG H 1 1.32 0.02 . 1 . . . . 73 LEU HG . 15743 1 786 . 1 1 74 74 LEU C C 13 177.0 0.3 . 1 . . . . 73 LEU C . 15743 1 787 . 1 1 74 74 LEU CA C 13 54.0 0.3 . 1 . . . . 73 LEU CA . 15743 1 788 . 1 1 74 74 LEU CB C 13 41.9 0.3 . 1 . . . . 73 LEU CB . 15743 1 789 . 1 1 74 74 LEU CD1 C 13 27.2 0.3 . 1 . . . . 73 LEU CD1 . 15743 1 790 . 1 1 74 74 LEU CD2 C 13 24.9 0.3 . 1 . . . . 73 LEU CD2 . 15743 1 791 . 1 1 74 74 LEU CG C 13 32.1 0.3 . 1 . . . . 73 LEU CG . 15743 1 792 . 1 1 74 74 LEU N N 15 122.7 0.3 . 1 . . . . 73 LEU N . 15743 1 793 . 1 1 75 75 SER H H 1 8.55 0.02 . 1 . . . . 74 SER H . 15743 1 794 . 1 1 75 75 SER HA H 1 4.03 0.02 . 1 . . . . 74 SER HA . 15743 1 795 . 1 1 75 75 SER HB2 H 1 3.73 0.02 . 2 . . . . 74 SER HB2 . 15743 1 796 . 1 1 75 75 SER HB3 H 1 3.71 0.02 . 2 . . . . 74 SER HB3 . 15743 1 797 . 1 1 75 75 SER C C 13 174.7 0.3 . 1 . . . . 74 SER C . 15743 1 798 . 1 1 75 75 SER CA C 13 61.2 0.3 . 1 . . . . 74 SER CA . 15743 1 799 . 1 1 75 75 SER CB C 13 62.8 0.3 . 1 . . . . 74 SER CB . 15743 1 800 . 1 1 75 75 SER N N 15 116.6 0.3 . 1 . . . . 74 SER N . 15743 1 801 . 1 1 76 76 ARG H H 1 7.04 0.02 . 1 . . . . 75 ARG H . 15743 1 802 . 1 1 76 76 ARG HA H 1 4.39 0.02 . 1 . . . . 75 ARG HA . 15743 1 803 . 1 1 76 76 ARG HB2 H 1 1.45 0.02 . 2 . . . . 75 ARG HB2 . 15743 1 804 . 1 1 76 76 ARG HB3 H 1 1.42 0.02 . 2 . . . . 75 ARG HB3 . 15743 1 805 . 1 1 76 76 ARG HD2 H 1 3.31 0.02 . 2 . . . . 75 ARG HD2 . 15743 1 806 . 1 1 76 76 ARG HD3 H 1 3.11 0.02 . 2 . . . . 75 ARG HD3 . 15743 1 807 . 1 1 76 76 ARG C C 13 174.5 0.3 . 1 . . . . 75 ARG C . 15743 1 808 . 1 1 76 76 ARG CA C 13 54.1 0.3 . 1 . . . . 75 ARG CA . 15743 1 809 . 1 1 76 76 ARG CB C 13 31.5 0.3 . 1 . . . . 75 ARG CB . 15743 1 810 . 1 1 76 76 ARG CD C 13 43.7 0.3 . 1 . . . . 75 ARG CD . 15743 1 811 . 1 1 76 76 ARG CG C 13 26.7 0.3 . 1 . . . . 75 ARG CG . 15743 1 812 . 1 1 76 76 ARG N N 15 116.8 0.3 . 1 . . . . 75 ARG N . 15743 1 813 . 1 1 77 77 ASP H H 1 8.79 0.02 . 1 . . . . 76 ASP H . 15743 1 814 . 1 1 77 77 ASP HA H 1 4.37 0.02 . 1 . . . . 76 ASP HA . 15743 1 815 . 1 1 77 77 ASP HB2 H 1 2.65 0.02 . 2 . . . . 76 ASP HB2 . 15743 1 816 . 1 1 77 77 ASP HB3 H 1 2.31 0.02 . 2 . . . . 76 ASP HB3 . 15743 1 817 . 1 1 77 77 ASP C C 13 176.4 0.3 . 1 . . . . 76 ASP C . 15743 1 818 . 1 1 77 77 ASP CA C 13 55.2 0.3 . 1 . . . . 76 ASP CA . 15743 1 819 . 1 1 77 77 ASP CB C 13 41.8 0.3 . 1 . . . . 76 ASP CB . 15743 1 820 . 1 1 77 77 ASP N N 15 124.4 0.3 . 1 . . . . 76 ASP N . 15743 1 821 . 1 1 78 78 ASN H H 1 7.67 0.02 . 1 . . . . 77 ASN H . 15743 1 822 . 1 1 78 78 ASN HA H 1 3.64 0.02 . 1 . . . . 77 ASN HA . 15743 1 823 . 1 1 78 78 ASN HB2 H 1 3.06 0.02 . 2 . . . . 77 ASN HB2 . 15743 1 824 . 1 1 78 78 ASN HB3 H 1 2.61 0.02 . 2 . . . . 77 ASN HB3 . 15743 1 825 . 1 1 78 78 ASN HD21 H 1 7.68 0.02 . 1 . . . . 77 ASN HD21 . 15743 1 826 . 1 1 78 78 ASN HD22 H 1 6.69 0.02 . 1 . . . . 77 ASN HD22 . 15743 1 827 . 1 1 78 78 ASN C C 13 173.0 0.3 . 1 . . . . 77 ASN C . 15743 1 828 . 1 1 78 78 ASN CA C 13 54.0 0.3 . 1 . . . . 77 ASN CA . 15743 1 829 . 1 1 78 78 ASN CB C 13 36.3 0.3 . 1 . . . . 77 ASN CB . 15743 1 830 . 1 1 78 78 ASN N N 15 120.8 0.3 . 1 . . . . 77 ASN N . 15743 1 831 . 1 1 78 78 ASN ND2 N 15 113.5 0.3 . 1 . . . . 77 ASN ND2 . 15743 1 832 . 1 1 79 79 ASP H H 1 8.60 0.02 . 1 . . . . 78 ASP H . 15743 1 833 . 1 1 79 79 ASP HA H 1 4.86 0.02 . 1 . . . . 78 ASP HA . 15743 1 834 . 1 1 79 79 ASP HB2 H 1 2.25 0.02 . 2 . . . . 78 ASP HB2 . 15743 1 835 . 1 1 79 79 ASP HB3 H 1 2.05 0.02 . 2 . . . . 78 ASP HB3 . 15743 1 836 . 1 1 79 79 ASP C C 13 176.2 0.3 . 1 . . . . 78 ASP C . 15743 1 837 . 1 1 79 79 ASP CA C 13 54.3 0.3 . 1 . . . . 78 ASP CA . 15743 1 838 . 1 1 79 79 ASP CB C 13 48.1 0.3 . 1 . . . . 78 ASP CB . 15743 1 839 . 1 1 79 79 ASP N N 15 114.2 0.3 . 1 . . . . 78 ASP N . 15743 1 840 . 1 1 80 80 ALA H H 1 9.19 0.02 . 1 . . . . 79 ALA H . 15743 1 841 . 1 1 80 80 ALA HA H 1 5.45 0.02 . 1 . . . . 79 ALA HA . 15743 1 842 . 1 1 80 80 ALA HB1 H 1 1.36 0.02 . 1 . . . . 79 ALA HB . 15743 1 843 . 1 1 80 80 ALA HB2 H 1 1.36 0.02 . 1 . . . . 79 ALA HB . 15743 1 844 . 1 1 80 80 ALA HB3 H 1 1.36 0.02 . 1 . . . . 79 ALA HB . 15743 1 845 . 1 1 80 80 ALA C C 13 179.7 0.3 . 1 . . . . 79 ALA C . 15743 1 846 . 1 1 80 80 ALA CA C 13 54.0 0.3 . 1 . . . . 79 ALA CA . 15743 1 847 . 1 1 80 80 ALA CB C 13 19.7 0.3 . 1 . . . . 79 ALA CB . 15743 1 848 . 1 1 80 80 ALA N N 15 126.8 0.3 . 1 . . . . 79 ALA N . 15743 1 849 . 1 1 81 81 SER H H 1 8.73 0.02 . 1 . . . . 80 SER H . 15743 1 850 . 1 1 81 81 SER HA H 1 5.03 0.02 . 1 . . . . 80 SER HA . 15743 1 851 . 1 1 81 81 SER HB2 H 1 4.12 0.02 . 2 . . . . 80 SER HB2 . 15743 1 852 . 1 1 81 81 SER HB3 H 1 3.30 0.02 . 2 . . . . 80 SER HB3 . 15743 1 853 . 1 1 81 81 SER C C 13 170.5 0.3 . 1 . . . . 80 SER C . 15743 1 854 . 1 1 81 81 SER CA C 13 57.8 0.3 . 1 . . . . 80 SER CA . 15743 1 855 . 1 1 81 81 SER CB C 13 66.8 0.3 . 1 . . . . 80 SER CB . 15743 1 856 . 1 1 81 81 SER N N 15 115.9 0.3 . 1 . . . . 80 SER N . 15743 1 857 . 1 1 82 82 SER H H 1 7.77 0.02 . 1 . . . . 81 SER H . 15743 1 858 . 1 1 82 82 SER HA H 1 4.58 0.02 . 1 . . . . 81 SER HA . 15743 1 859 . 1 1 82 82 SER HB2 H 1 4.37 0.02 . 2 . . . . 81 SER HB2 . 15743 1 860 . 1 1 82 82 SER HB3 H 1 3.79 0.02 . 2 . . . . 81 SER HB3 . 15743 1 861 . 1 1 82 82 SER C C 13 173.6 0.3 . 1 . . . . 81 SER C . 15743 1 862 . 1 1 82 82 SER CA C 13 59.9 0.3 . 1 . . . . 81 SER CA . 15743 1 863 . 1 1 82 82 SER CB C 13 65.1 0.3 . 1 . . . . 81 SER CB . 15743 1 864 . 1 1 82 82 SER N N 15 105.1 0.3 . 1 . . . . 81 SER N . 15743 1 865 . 1 1 83 83 VAL H H 1 9.44 0.02 . 1 . . . . 82 VAL H . 15743 1 866 . 1 1 83 83 VAL HA H 1 5.80 0.02 . 1 . . . . 82 VAL HA . 15743 1 867 . 1 1 83 83 VAL HB H 1 2.31 0.02 . 1 . . . . 82 VAL HB . 15743 1 868 . 1 1 83 83 VAL HG11 H 1 1.03 0.02 . 1 . . . . 82 VAL HG1 . 15743 1 869 . 1 1 83 83 VAL HG12 H 1 1.03 0.02 . 1 . . . . 82 VAL HG1 . 15743 1 870 . 1 1 83 83 VAL HG13 H 1 1.03 0.02 . 1 . . . . 82 VAL HG1 . 15743 1 871 . 1 1 83 83 VAL HG21 H 1 0.98 0.02 . 1 . . . . 82 VAL HG2 . 15743 1 872 . 1 1 83 83 VAL HG22 H 1 0.98 0.02 . 1 . . . . 82 VAL HG2 . 15743 1 873 . 1 1 83 83 VAL HG23 H 1 0.98 0.02 . 1 . . . . 82 VAL HG2 . 15743 1 874 . 1 1 83 83 VAL C C 13 173.6 0.3 . 1 . . . . 82 VAL C . 15743 1 875 . 1 1 83 83 VAL CA C 13 60.4 0.3 . 1 . . . . 82 VAL CA . 15743 1 876 . 1 1 83 83 VAL CB C 13 38.2 0.3 . 1 . . . . 82 VAL CB . 15743 1 877 . 1 1 83 83 VAL CG1 C 13 23.0 0.3 . 1 . . . . 82 VAL CG1 . 15743 1 878 . 1 1 83 83 VAL CG2 C 13 22.1 0.3 . 1 . . . . 82 VAL CG2 . 15743 1 879 . 1 1 83 83 VAL N N 15 115.2 0.3 . 1 . . . . 82 VAL N . 15743 1 880 . 1 1 84 84 ARG H H 1 9.87 0.02 . 1 . . . . 83 ARG H . 15743 1 881 . 1 1 84 84 ARG HA H 1 5.39 0.02 . 1 . . . . 83 ARG HA . 15743 1 882 . 1 1 84 84 ARG HB2 H 1 1.89 0.02 . 2 . . . . 83 ARG HB2 . 15743 1 883 . 1 1 84 84 ARG HB3 H 1 1.78 0.02 . 2 . . . . 83 ARG HB3 . 15743 1 884 . 1 1 84 84 ARG HD2 H 1 2.86 0.02 . 2 . . . . 83 ARG HD2 . 15743 1 885 . 1 1 84 84 ARG HD3 H 1 2.82 0.02 . 2 . . . . 83 ARG HD3 . 15743 1 886 . 1 1 84 84 ARG HG2 H 1 1.38 0.02 . 2 . . . . 83 ARG HG2 . 15743 1 887 . 1 1 84 84 ARG HG3 H 1 1.36 0.02 . 2 . . . . 83 ARG HG3 . 15743 1 888 . 1 1 84 84 ARG C C 13 174.7 0.3 . 1 . . . . 83 ARG C . 15743 1 889 . 1 1 84 84 ARG CA C 13 55.9 0.3 . 1 . . . . 83 ARG CA . 15743 1 890 . 1 1 84 84 ARG CB C 13 34.9 0.3 . 1 . . . . 83 ARG CB . 15743 1 891 . 1 1 84 84 ARG CD C 13 43.5 0.3 . 1 . . . . 83 ARG CD . 15743 1 892 . 1 1 84 84 ARG CG C 13 28.0 0.3 . 1 . . . . 83 ARG CG . 15743 1 893 . 1 1 84 84 ARG N N 15 123.3 0.3 . 1 . . . . 83 ARG N . 15743 1 894 . 1 1 85 85 VAL H H 1 9.59 0.02 . 1 . . . . 84 VAL H . 15743 1 895 . 1 1 85 85 VAL HA H 1 5.15 0.02 . 1 . . . . 84 VAL HA . 15743 1 896 . 1 1 85 85 VAL HB H 1 2.54 0.02 . 1 . . . . 84 VAL HB . 15743 1 897 . 1 1 85 85 VAL HG11 H 1 1.00 0.02 . 1 . . . . 84 VAL HG1 . 15743 1 898 . 1 1 85 85 VAL HG12 H 1 1.00 0.02 . 1 . . . . 84 VAL HG1 . 15743 1 899 . 1 1 85 85 VAL HG13 H 1 1.00 0.02 . 1 . . . . 84 VAL HG1 . 15743 1 900 . 1 1 85 85 VAL HG21 H 1 0.97 0.02 . 1 . . . . 84 VAL HG2 . 15743 1 901 . 1 1 85 85 VAL HG22 H 1 0.97 0.02 . 1 . . . . 84 VAL HG2 . 15743 1 902 . 1 1 85 85 VAL HG23 H 1 0.97 0.02 . 1 . . . . 84 VAL HG2 . 15743 1 903 . 1 1 85 85 VAL C C 13 175.5 0.3 . 1 . . . . 84 VAL C . 15743 1 904 . 1 1 85 85 VAL CA C 13 61.4 0.3 . 1 . . . . 84 VAL CA . 15743 1 905 . 1 1 85 85 VAL CB C 13 33.6 0.3 . 1 . . . . 84 VAL CB . 15743 1 906 . 1 1 85 85 VAL CG1 C 13 21.9 0.3 . 1 . . . . 84 VAL CG1 . 15743 1 907 . 1 1 85 85 VAL CG2 C 13 21.8 0.3 . 1 . . . . 84 VAL CG2 . 15743 1 908 . 1 1 85 85 VAL N N 15 127.1 0.3 . 1 . . . . 84 VAL N . 15743 1 909 . 1 1 86 86 SER H H 1 9.32 0.02 . 1 . . . . 85 SER H . 15743 1 910 . 1 1 86 86 SER HA H 1 4.99 0.02 . 1 . . . . 85 SER HA . 15743 1 911 . 1 1 86 86 SER HB2 H 1 3.85 0.02 . 2 . . . . 85 SER HB2 . 15743 1 912 . 1 1 86 86 SER HB3 H 1 3.82 0.02 . 2 . . . . 85 SER HB3 . 15743 1 913 . 1 1 86 86 SER C C 13 172.2 0.3 . 1 . . . . 85 SER C . 15743 1 914 . 1 1 86 86 SER CA C 13 57.0 0.3 . 1 . . . . 85 SER CA . 15743 1 915 . 1 1 86 86 SER CB C 13 66.3 0.3 . 1 . . . . 85 SER CB . 15743 1 916 . 1 1 86 86 SER N N 15 122.8 0.3 . 1 . . . . 85 SER N . 15743 1 917 . 1 1 87 87 LYS H H 1 8.79 0.02 . 1 . . . . 86 LYS H . 15743 1 918 . 1 1 87 87 LYS HA H 1 4.61 0.02 . 1 . . . . 86 LYS HA . 15743 1 919 . 1 1 87 87 LYS HB2 H 1 2.27 0.02 . 2 . . . . 86 LYS HB2 . 15743 1 920 . 1 1 87 87 LYS HB3 H 1 2.24 0.02 . 2 . . . . 86 LYS HB3 . 15743 1 921 . 1 1 87 87 LYS HD2 H 1 1.76 0.02 . 2 . . . . 86 LYS HD2 . 15743 1 922 . 1 1 87 87 LYS HD3 H 1 1.73 0.02 . 2 . . . . 86 LYS HD3 . 15743 1 923 . 1 1 87 87 LYS HE2 H 1 2.68 0.02 . 2 . . . . 86 LYS HE2 . 15743 1 924 . 1 1 87 87 LYS HE3 H 1 2.66 0.02 . 2 . . . . 86 LYS HE3 . 15743 1 925 . 1 1 87 87 LYS HG2 H 1 1.46 0.02 . 2 . . . . 86 LYS HG2 . 15743 1 926 . 1 1 87 87 LYS HG3 H 1 1.42 0.02 . 2 . . . . 86 LYS HG3 . 15743 1 927 . 1 1 87 87 LYS C C 13 176.8 0.3 . 1 . . . . 86 LYS C . 15743 1 928 . 1 1 87 87 LYS CA C 13 56.1 0.3 . 1 . . . . 86 LYS CA . 15743 1 929 . 1 1 87 87 LYS CB C 13 33.7 0.3 . 1 . . . . 86 LYS CB . 15743 1 930 . 1 1 87 87 LYS CD C 13 29.4 0.3 . 1 . . . . 86 LYS CD . 15743 1 931 . 1 1 87 87 LYS CE C 13 41.6 0.3 . 1 . . . . 86 LYS CE . 15743 1 932 . 1 1 87 87 LYS CG C 13 25.5 0.3 . 1 . . . . 86 LYS CG . 15743 1 933 . 1 1 87 87 LYS N N 15 120.2 0.3 . 1 . . . . 86 LYS N . 15743 1 934 . 1 1 88 88 MET H H 1 8.18 0.02 . 1 . . . . 87 MET H . 15743 1 935 . 1 1 88 88 MET HA H 1 4.36 0.02 . 1 . . . . 87 MET HA . 15743 1 936 . 1 1 88 88 MET HB2 H 1 1.99 0.02 . 2 . . . . 87 MET HB2 . 15743 1 937 . 1 1 88 88 MET HB3 H 1 1.72 0.02 . 2 . . . . 87 MET HB3 . 15743 1 938 . 1 1 88 88 MET HG2 H 1 2.40 0.02 . 2 . . . . 87 MET HG2 . 15743 1 939 . 1 1 88 88 MET HG3 H 1 2.29 0.02 . 2 . . . . 87 MET HG3 . 15743 1 940 . 1 1 88 88 MET C C 13 175.7 0.3 . 1 . . . . 87 MET C . 15743 1 941 . 1 1 88 88 MET CA C 13 55.3 0.3 . 1 . . . . 87 MET CA . 15743 1 942 . 1 1 88 88 MET CB C 13 33.1 0.3 . 1 . . . . 87 MET CB . 15743 1 943 . 1 1 88 88 MET CE C 13 13.5 0.3 . 1 . . . . 87 MET CE . 15743 1 944 . 1 1 88 88 MET CG C 13 34.0 0.3 . 1 . . . . 87 MET CG . 15743 1 945 . 1 1 88 88 MET N N 15 122.8 0.3 . 1 . . . . 87 MET N . 15743 1 946 . 1 1 89 89 GLU H H 1 8.61 0.02 . 1 . . . . 88 GLU H . 15743 1 947 . 1 1 89 89 GLU HA H 1 4.39 0.02 . 1 . . . . 88 GLU HA . 15743 1 948 . 1 1 89 89 GLU HB2 H 1 1.97 0.02 . 2 . . . . 88 GLU HB2 . 15743 1 949 . 1 1 89 89 GLU HB3 H 1 1.93 0.02 . 2 . . . . 88 GLU HB3 . 15743 1 950 . 1 1 89 89 GLU HG2 H 1 2.28 0.02 . 2 . . . . 88 GLU HG2 . 15743 1 951 . 1 1 89 89 GLU HG3 H 1 2.26 0.02 . 2 . . . . 88 GLU HG3 . 15743 1 952 . 1 1 89 89 GLU C C 13 176.4 0.3 . 1 . . . . 88 GLU C . 15743 1 953 . 1 1 89 89 GLU CA C 13 56.5 0.3 . 1 . . . . 88 GLU CA . 15743 1 954 . 1 1 89 89 GLU CB C 13 30.3 0.3 . 1 . . . . 88 GLU CB . 15743 1 955 . 1 1 89 89 GLU CG C 13 36.2 0.3 . 1 . . . . 88 GLU CG . 15743 1 956 . 1 1 89 89 GLU N N 15 122.9 0.3 . 1 . . . . 88 GLU N . 15743 1 957 . 1 1 90 90 THR H H 1 8.27 0.02 . 1 . . . . 89 THR H . 15743 1 958 . 1 1 90 90 THR HA H 1 4.42 0.02 . 1 . . . . 89 THR HA . 15743 1 959 . 1 1 90 90 THR HB H 1 4.24 0.02 . 1 . . . . 89 THR HB . 15743 1 960 . 1 1 90 90 THR HG1 H 1 2.44 0.02 . 1 . . . . 89 THR HG1 . 15743 1 961 . 1 1 90 90 THR HG21 H 1 1.21 0.02 . 1 . . . . 89 THR HG2 . 15743 1 962 . 1 1 90 90 THR HG22 H 1 1.21 0.02 . 1 . . . . 89 THR HG2 . 15743 1 963 . 1 1 90 90 THR HG23 H 1 1.21 0.02 . 1 . . . . 89 THR HG2 . 15743 1 964 . 1 1 90 90 THR C C 13 174.5 0.3 . 1 . . . . 89 THR C . 15743 1 965 . 1 1 90 90 THR CA C 13 61.5 0.3 . 1 . . . . 89 THR CA . 15743 1 966 . 1 1 90 90 THR CB C 13 69.8 0.3 . 1 . . . . 89 THR CB . 15743 1 967 . 1 1 90 90 THR CG2 C 13 21.6 0.3 . 1 . . . . 89 THR CG2 . 15743 1 968 . 1 1 90 90 THR N N 15 115.5 0.3 . 1 . . . . 89 THR N . 15743 1 969 . 1 1 91 91 THR H H 1 8.22 0.02 . 1 . . . . 90 THR H . 15743 1 970 . 1 1 91 91 THR HA H 1 4.37 0.02 . 1 . . . . 90 THR HA . 15743 1 971 . 1 1 91 91 THR HB H 1 4.28 0.02 . 1 . . . . 90 THR HB . 15743 1 972 . 1 1 91 91 THR HG1 H 1 2.41 0.02 . 1 . . . . 90 THR HG1 . 15743 1 973 . 1 1 91 91 THR HG21 H 1 1.18 0.02 . 1 . . . . 90 THR HG2 . 15743 1 974 . 1 1 91 91 THR HG22 H 1 1.18 0.02 . 1 . . . . 90 THR HG2 . 15743 1 975 . 1 1 91 91 THR HG23 H 1 1.18 0.02 . 1 . . . . 90 THR HG2 . 15743 1 976 . 1 1 91 91 THR C C 13 173.5 0.3 . 1 . . . . 90 THR C . 15743 1 977 . 1 1 91 91 THR CA C 13 61.4 0.3 . 1 . . . . 90 THR CA . 15743 1 978 . 1 1 91 91 THR CB C 13 69.8 0.3 . 1 . . . . 90 THR CB . 15743 1 979 . 1 1 91 91 THR CG2 C 13 21.5 0.3 . 1 . . . . 90 THR CG2 . 15743 1 980 . 1 1 91 91 THR N N 15 116.3 0.3 . 1 . . . . 90 THR N . 15743 1 981 . 1 1 92 92 ASN H H 1 8.10 0.02 . 1 . . . . 91 ASN H . 15743 1 982 . 1 1 92 92 ASN HA H 1 4.47 0.02 . 1 . . . . 91 ASN HA . 15743 1 983 . 1 1 92 92 ASN HB2 H 1 2.71 0.02 . 2 . . . . 91 ASN HB2 . 15743 1 984 . 1 1 92 92 ASN HB3 H 1 2.70 0.02 . 2 . . . . 91 ASN HB3 . 15743 1 985 . 1 1 92 92 ASN HD21 H 1 7.49 0.02 . 1 . . . . 91 ASN HD21 . 15743 1 986 . 1 1 92 92 ASN HD22 H 1 6.79 0.02 . 1 . . . . 91 ASN HD22 . 15743 1 987 . 1 1 92 92 ASN C C 13 179.5 0.3 . 1 . . . . 91 ASN C . 15743 1 988 . 1 1 92 92 ASN CA C 13 54.7 0.3 . 1 . . . . 91 ASN CA . 15743 1 989 . 1 1 92 92 ASN CB C 13 40.3 0.3 . 1 . . . . 91 ASN CB . 15743 1 990 . 1 1 92 92 ASN N N 15 126.4 0.3 . 1 . . . . 91 ASN N . 15743 1 991 . 1 1 92 92 ASN ND2 N 15 113.0 0.3 . 1 . . . . 91 ASN ND2 . 15743 1 stop_ save_