data_16127 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16127 _Entry.Title ; Solution Structure of the SAP30 zinc finger motif ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-21 _Entry.Accession_date 2009-01-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Ishwar Radhakrishnan . . . 16127 2 Yuan He . . . 16127 3 Rebecca Imhoff . . . 16127 4 Anirban Sahu . . . 16127 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'nucleic acid interaction' . 16127 sap30 . 16127 sin3 . 16127 'zinc finger motif' . 16127 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16127 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 297 16127 '15N chemical shifts' 78 16127 '1H chemical shifts' 443 16127 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 3 . . 2010-06-02 2009-01-21 update BMRB 'edit assembly name' 16127 2 . . 2009-04-30 2009-01-21 update BMRB 'complete entry citation' 16127 1 . . 2009-02-23 2009-01-21 original author 'original release' 16127 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KDP 'BMRB Entry Tracking System' 16127 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16127 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19223330 _Citation.Full_citation . _Citation.Title 'Solution Structure of a Novel Zinc Finger Motif in the SAP30 Polypeptide of the Sin3 Corepressor Complex and its Potential Role in Nucleic Acid Recognition' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 37 _Citation.Journal_issue 7 _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 2145 _Citation.Page_last 2152 _Citation.Year 2009 _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 Yuan He . . . 16127 1 2 Rebecca Imhoff . . . 16127 1 3 Anirban Sahu . . . 16127 1 4 Ishwar Radhakrishnan . . . 16127 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16127 _Assembly.ID 1 _Assembly.Name SAP30_ZnF _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 SAP30_ZnF 1 $SAP30_ZnF A . yes native no no . . . 16127 1 2 'ZINC ION' 2 $ZN B . no native no no . . . 16127 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SAP30_ZnF _Entity.Sf_category entity _Entity.Sf_framecode SAP30_ZnF _Entity.Entry_ID 16127 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SAP30_ZnF _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID SAP30 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SNAGQLCCLREDGERCGRAA GNASFSKRIQKSISQKKVKI ELDKSARHLYICDYHKNLIQ SVRNRRKRKGS ; _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 ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KDP . "Solution Structure Of The Sap30 Zinc Finger Motif" . . . . . 100.00 71 100.00 100.00 1.36e-41 . . . . 16127 1 2 no GB EDL87168 . "rCG59146, isoform CRA_a [Rattus norvegicus]" . . . . . 59.15 178 97.62 97.62 6.81e-18 . . . . 16127 1 3 no GB EDL87169 . "rCG59146, isoform CRA_b, partial [Rattus norvegicus]" . . . . . 71.83 114 100.00 100.00 5.52e-29 . . . . 16127 1 4 no GB EGV91759 . "Histone deacetylase complex subunit SAP30 [Cricetulus griseus]" . . . . . 95.77 220 100.00 100.00 9.00e-40 . . . . 16127 1 5 no GB EHB04012 . "Histone deacetylase complex subunit SAP30, partial [Heterocephalus glaber]" . . . . . 91.55 154 98.46 98.46 4.59e-36 . . . . 16127 1 6 no GB ELW67729 . "N-acetylgalactosaminyltransferase 7 [Tupaia chinensis]" . . . . . 71.83 606 100.00 100.00 2.08e-24 . . . . 16127 1 7 no REF XP_003504367 . "PREDICTED: histone deacetylase complex subunit SAP30 isoform X1 [Cricetulus griseus]" . . . . . 95.77 220 100.00 100.00 9.00e-40 . . . . 16127 1 8 no REF XP_004389012 . "PREDICTED: histone deacetylase complex subunit SAP30 isoform X1 [Trichechus manatus latirostris]" . . . . . 97.18 182 97.10 97.10 1.42e-38 . . . . 16127 1 9 no REF XP_004395295 . "PREDICTED: histone deacetylase complex subunit SAP30 isoform X2 [Odobenus rosmarus divergens]" . . . . . 97.18 179 98.55 98.55 1.30e-39 . . . . 16127 1 10 no REF XP_004433644 . "PREDICTED: histone deacetylase complex subunit SAP30 [Ceratotherium simum simum]" . . . . . 97.18 181 98.55 98.55 1.72e-39 . . . . 16127 1 11 no REF XP_005075210 . "PREDICTED: histone deacetylase complex subunit SAP30 [Mesocricetus auratus]" . . . . . 95.77 225 100.00 100.00 8.08e-40 . . . . 16127 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 61 SER . 16127 1 2 62 ASN . 16127 1 3 63 ALA . 16127 1 4 64 GLY . 16127 1 5 65 GLN . 16127 1 6 66 LEU . 16127 1 7 67 CYS . 16127 1 8 68 CYS . 16127 1 9 69 LEU . 16127 1 10 70 ARG . 16127 1 11 71 GLU . 16127 1 12 72 ASP . 16127 1 13 73 GLY . 16127 1 14 74 GLU . 16127 1 15 75 ARG . 16127 1 16 76 CYS . 16127 1 17 77 GLY . 16127 1 18 78 ARG . 16127 1 19 79 ALA . 16127 1 20 80 ALA . 16127 1 21 81 GLY . 16127 1 22 82 ASN . 16127 1 23 83 ALA . 16127 1 24 84 SER . 16127 1 25 85 PHE . 16127 1 26 86 SER . 16127 1 27 87 LYS . 16127 1 28 88 ARG . 16127 1 29 89 ILE . 16127 1 30 90 GLN . 16127 1 31 91 LYS . 16127 1 32 92 SER . 16127 1 33 93 ILE . 16127 1 34 94 SER . 16127 1 35 95 GLN . 16127 1 36 96 LYS . 16127 1 37 97 LYS . 16127 1 38 98 VAL . 16127 1 39 99 LYS . 16127 1 40 100 ILE . 16127 1 41 101 GLU . 16127 1 42 102 LEU . 16127 1 43 103 ASP . 16127 1 44 104 LYS . 16127 1 45 105 SER . 16127 1 46 106 ALA . 16127 1 47 107 ARG . 16127 1 48 108 HIS . 16127 1 49 109 LEU . 16127 1 50 110 TYR . 16127 1 51 111 ILE . 16127 1 52 112 CYS . 16127 1 53 113 ASP . 16127 1 54 114 TYR . 16127 1 55 115 HIS . 16127 1 56 116 LYS . 16127 1 57 117 ASN . 16127 1 58 118 LEU . 16127 1 59 119 ILE . 16127 1 60 120 GLN . 16127 1 61 121 SER . 16127 1 62 122 VAL . 16127 1 63 123 ARG . 16127 1 64 124 ASN . 16127 1 65 125 ARG . 16127 1 66 126 ARG . 16127 1 67 127 LYS . 16127 1 68 128 ARG . 16127 1 69 129 LYS . 16127 1 70 130 GLY . 16127 1 71 131 SER . 16127 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 . SER 1 1 16127 1 . ASN 2 2 16127 1 . ALA 3 3 16127 1 . GLY 4 4 16127 1 . GLN 5 5 16127 1 . LEU 6 6 16127 1 . CYS 7 7 16127 1 . CYS 8 8 16127 1 . LEU 9 9 16127 1 . ARG 10 10 16127 1 . GLU 11 11 16127 1 . ASP 12 12 16127 1 . GLY 13 13 16127 1 . GLU 14 14 16127 1 . ARG 15 15 16127 1 . CYS 16 16 16127 1 . GLY 17 17 16127 1 . ARG 18 18 16127 1 . ALA 19 19 16127 1 . ALA 20 20 16127 1 . GLY 21 21 16127 1 . ASN 22 22 16127 1 . ALA 23 23 16127 1 . SER 24 24 16127 1 . PHE 25 25 16127 1 . SER 26 26 16127 1 . LYS 27 27 16127 1 . ARG 28 28 16127 1 . ILE 29 29 16127 1 . GLN 30 30 16127 1 . LYS 31 31 16127 1 . SER 32 32 16127 1 . ILE 33 33 16127 1 . SER 34 34 16127 1 . GLN 35 35 16127 1 . LYS 36 36 16127 1 . LYS 37 37 16127 1 . VAL 38 38 16127 1 . LYS 39 39 16127 1 . ILE 40 40 16127 1 . GLU 41 41 16127 1 . LEU 42 42 16127 1 . ASP 43 43 16127 1 . LYS 44 44 16127 1 . SER 45 45 16127 1 . ALA 46 46 16127 1 . ARG 47 47 16127 1 . HIS 48 48 16127 1 . LEU 49 49 16127 1 . TYR 50 50 16127 1 . ILE 51 51 16127 1 . CYS 52 52 16127 1 . ASP 53 53 16127 1 . TYR 54 54 16127 1 . HIS 55 55 16127 1 . LYS 56 56 16127 1 . ASN 57 57 16127 1 . LEU 58 58 16127 1 . ILE 59 59 16127 1 . GLN 60 60 16127 1 . SER 61 61 16127 1 . VAL 62 62 16127 1 . ARG 63 63 16127 1 . ASN 64 64 16127 1 . ARG 65 65 16127 1 . ARG 66 66 16127 1 . LYS 67 67 16127 1 . ARG 68 68 16127 1 . LYS 69 69 16127 1 . GLY 70 70 16127 1 . SER 71 71 16127 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 16127 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _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 ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . ZN . 16127 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 16127 _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 $SAP30_ZnF . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16127 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 16127 _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 $SAP30_ZnF . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pMCSG7 . . . . . . 16127 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 16127 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-10-15 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _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 . _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 Zn _Chem_comp.Formula_weight 65.409 _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 no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _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 Tue Nov 18 21:04:59 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 InChI=1/Zn/q+2 InChI InChI 1.02b 16127 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 16127 ZN [Zn++] SMILES CACTVS 3.341 16127 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 16127 ZN [Zn+2] SMILES ACDLabs 10.04 16127 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 16127 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16127 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 16127 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16127 ZN 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 ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 16127 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16127 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SAP30 ZnF' '[U-95% 13C; U-95% 15N]' . . 1 $SAP30_ZnF . . 0.56 . . mM . . . . 16127 1 2 TRIS '[U-13C; U-15N]' . . . . . . 20 . . mM . . . . 16127 1 3 'acetic acid' [U-13C] . . . . . . 20 . . mM . . . . 16127 1 4 DTT [U-2H] . . . . . . 2 . . mM . . . . 16127 1 5 'Sodium Azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 16127 1 6 'zinc chloride' 'natural abundance' . . . . . . 0.56 . . mM . . . . 16127 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16127 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16127 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16127 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'SAP30 ZnF' '[U-95% 13C; U-95% 15N]' . . 1 $SAP30_ZnF . . 0.56 . . mM . . . . 16127 2 2 TRIS '[U-13C; U-15N]' . . . . . . 20 . . mM . . . . 16127 2 3 'acetic acid' [U-13C] . . . . . . 20 . . mM . . . . 16127 2 4 DTT [U-2H] . . . . . . 2 . . mM . . . . 16127 2 5 'Sodium Azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 16127 2 6 'zinc chloride' 'natural abundance' . . . . . . 0.56 . . mM . . . . 16127 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16127 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16127 2 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 16127 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.04 . M 16127 1 pH 6.0 . pH 16127 1 pressure 1 . atm 16127 1 temperature 298 . K 16127 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16127 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16127 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16127 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16127 _Software.ID 2 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 16127 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16127 2 'peak picking' 16127 2 processing 16127 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16127 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16127 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16127 3 'chemical shift calculation' 16127 3 'data analysis' 16127 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16127 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16127 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16127 4 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16127 _Software.ID 5 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16127 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16127 5 'structure solution' 16127 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16127 _Software.ID 6 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16127 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16127 6 'structure solution' 16127 6 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 16127 _Software.ID 7 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho' . . 16127 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16127 7 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 16127 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16127 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16127 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 16127 _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 . . . . . . . . . . . . . . . . 16127 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16127 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16127 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16127 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16127 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16127 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16127 1 8 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16127 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16127 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16127 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 16127 _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 . . . 1 $entry_citation . . 1 $entry_citation 16127 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 16127 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16127 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 16127 _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 8 '3D HCCH-COSY' . . . 16127 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.45 0.03 . 1 . . . . 61 SER HA . 16127 1 2 . 1 1 1 1 SER HB2 H 1 3.82 0.03 . 2 . . . . 61 SER HB2 . 16127 1 3 . 1 1 1 1 SER HB3 H 1 3.86 0.03 . 2 . . . . 61 SER HB3 . 16127 1 4 . 1 1 1 1 SER CA C 13 58.33 0.20 . 1 . . . . 61 SER CA . 16127 1 5 . 1 1 1 1 SER CB C 13 64.19 0.20 . 1 . . . . 61 SER CB . 16127 1 6 . 1 1 2 2 ASN HA H 1 4.61 0.03 . 1 . . . . 62 ASN HA . 16127 1 7 . 1 1 2 2 ASN HB3 H 1 2.57 0.03 . 2 . . . . 62 ASN HB3 . 16127 1 8 . 1 1 2 2 ASN HD21 H 1 7.39 0.03 . 2 . . . . 62 ASN HD21 . 16127 1 9 . 1 1 2 2 ASN HD22 H 1 6.76 0.03 . 2 . . . . 62 ASN HD22 . 16127 1 10 . 1 1 2 2 ASN C C 13 174.76 0.20 . 1 . . . . 62 ASN C . 16127 1 11 . 1 1 2 2 ASN CA C 13 53.10 0.20 . 1 . . . . 62 ASN CA . 16127 1 12 . 1 1 2 2 ASN CB C 13 38.79 0.20 . 1 . . . . 62 ASN CB . 16127 1 13 . 1 1 2 2 ASN ND2 N 15 113.62 0.30 . 1 . . . . 62 ASN ND2 . 16127 1 14 . 1 1 3 3 ALA H H 1 8.30 0.03 . 1 . . . . 63 ALA H . 16127 1 15 . 1 1 3 3 ALA HA H 1 4.20 0.03 . 1 . . . . 63 ALA HA . 16127 1 16 . 1 1 3 3 ALA HB1 H 1 1.30 0.03 . 1 . . . . 63 ALA HB . 16127 1 17 . 1 1 3 3 ALA HB2 H 1 1.30 0.03 . 1 . . . . 63 ALA HB . 16127 1 18 . 1 1 3 3 ALA HB3 H 1 1.30 0.03 . 1 . . . . 63 ALA HB . 16127 1 19 . 1 1 3 3 ALA C C 13 178.18 0.20 . 1 . . . . 63 ALA C . 16127 1 20 . 1 1 3 3 ALA CA C 13 53.07 0.20 . 1 . . . . 63 ALA CA . 16127 1 21 . 1 1 3 3 ALA CB C 13 18.96 0.20 . 1 . . . . 63 ALA CB . 16127 1 22 . 1 1 3 3 ALA N N 15 125.39 0.30 . 1 . . . . 63 ALA N . 16127 1 23 . 1 1 4 4 GLY H H 1 8.34 0.03 . 1 . . . . 64 GLY H . 16127 1 24 . 1 1 4 4 GLY HA2 H 1 3.80 0.03 . 2 . . . . 64 GLY HA2 . 16127 1 25 . 1 1 4 4 GLY HA3 H 1 3.86 0.03 . 2 . . . . 64 GLY HA3 . 16127 1 26 . 1 1 4 4 GLY C C 13 174.01 0.20 . 1 . . . . 64 GLY C . 16127 1 27 . 1 1 4 4 GLY CA C 13 45.35 0.20 . 1 . . . . 64 GLY CA . 16127 1 28 . 1 1 4 4 GLY N N 15 109.30 0.30 . 1 . . . . 64 GLY N . 16127 1 29 . 1 1 5 5 GLN H H 1 7.95 0.03 . 1 . . . . 65 GLN H . 16127 1 30 . 1 1 5 5 GLN HA H 1 4.33 0.03 . 1 . . . . 65 GLN HA . 16127 1 31 . 1 1 5 5 GLN HB3 H 1 1.62 0.03 . 2 . . . . 65 GLN HB3 . 16127 1 32 . 1 1 5 5 GLN HE21 H 1 7.04 0.03 . 2 . . . . 65 GLN HE21 . 16127 1 33 . 1 1 5 5 GLN HE22 H 1 6.46 0.03 . 2 . . . . 65 GLN HE22 . 16127 1 34 . 1 1 5 5 GLN HG3 H 1 1.95 0.03 . 2 . . . . 65 GLN HG3 . 16127 1 35 . 1 1 5 5 GLN C C 13 175.56 0.20 . 1 . . . . 65 GLN C . 16127 1 36 . 1 1 5 5 GLN CA C 13 55.40 0.20 . 1 . . . . 65 GLN CA . 16127 1 37 . 1 1 5 5 GLN CB C 13 29.86 0.20 . 1 . . . . 65 GLN CB . 16127 1 38 . 1 1 5 5 GLN CG C 13 33.74 0.20 . 1 . . . . 65 GLN CG . 16127 1 39 . 1 1 5 5 GLN N N 15 119.54 0.30 . 1 . . . . 65 GLN N . 16127 1 40 . 1 1 5 5 GLN NE2 N 15 111.36 0.30 . 1 . . . . 65 GLN NE2 . 16127 1 41 . 1 1 6 6 LEU H H 1 8.74 0.03 . 1 . . . . 66 LEU H . 16127 1 42 . 1 1 6 6 LEU HA H 1 4.61 0.03 . 1 . . . . 66 LEU HA . 16127 1 43 . 1 1 6 6 LEU HB2 H 1 1.53 0.03 . 2 . . . . 66 LEU HB2 . 16127 1 44 . 1 1 6 6 LEU HB3 H 1 1.66 0.03 . 2 . . . . 66 LEU HB3 . 16127 1 45 . 1 1 6 6 LEU HD11 H 1 0.88 0.03 . 2 . . . . 66 LEU HD1 . 16127 1 46 . 1 1 6 6 LEU HD12 H 1 0.88 0.03 . 2 . . . . 66 LEU HD1 . 16127 1 47 . 1 1 6 6 LEU HD13 H 1 0.88 0.03 . 2 . . . . 66 LEU HD1 . 16127 1 48 . 1 1 6 6 LEU HD21 H 1 0.66 0.03 . 2 . . . . 66 LEU HD2 . 16127 1 49 . 1 1 6 6 LEU HD22 H 1 0.66 0.03 . 2 . . . . 66 LEU HD2 . 16127 1 50 . 1 1 6 6 LEU HD23 H 1 0.66 0.03 . 2 . . . . 66 LEU HD2 . 16127 1 51 . 1 1 6 6 LEU HG H 1 1.68 0.03 . 1 . . . . 66 LEU HG . 16127 1 52 . 1 1 6 6 LEU C C 13 175.75 0.20 . 1 . . . . 66 LEU C . 16127 1 53 . 1 1 6 6 LEU CA C 13 54.01 0.20 . 1 . . . . 66 LEU CA . 16127 1 54 . 1 1 6 6 LEU CB C 13 43.49 0.20 . 1 . . . . 66 LEU CB . 16127 1 55 . 1 1 6 6 LEU CD1 C 13 25.34 0.20 . 2 . . . . 66 LEU CD1 . 16127 1 56 . 1 1 6 6 LEU CD2 C 13 22.79 0.20 . 2 . . . . 66 LEU CD2 . 16127 1 57 . 1 1 6 6 LEU CG C 13 27.15 0.20 . 1 . . . . 66 LEU CG . 16127 1 58 . 1 1 6 6 LEU N N 15 126.12 0.30 . 1 . . . . 66 LEU N . 16127 1 59 . 1 1 7 7 CYS H H 1 8.47 0.03 . 1 . . . . 67 CYS H . 16127 1 60 . 1 1 7 7 CYS HA H 1 4.14 0.03 . 1 . . . . 67 CYS HA . 16127 1 61 . 1 1 7 7 CYS HB2 H 1 2.92 0.03 . 2 . . . . 67 CYS HB2 . 16127 1 62 . 1 1 7 7 CYS HB3 H 1 3.18 0.03 . 2 . . . . 67 CYS HB3 . 16127 1 63 . 1 1 7 7 CYS C C 13 175.32 0.20 . 1 . . . . 67 CYS C . 16127 1 64 . 1 1 7 7 CYS CA C 13 60.78 0.20 . 1 . . . . 67 CYS CA . 16127 1 65 . 1 1 7 7 CYS CB C 13 32.85 0.20 . 1 . . . . 67 CYS CB . 16127 1 66 . 1 1 7 7 CYS N N 15 123.17 0.30 . 1 . . . . 67 CYS N . 16127 1 67 . 1 1 8 8 CYS H H 1 8.17 0.03 . 1 . . . . 68 CYS H . 16127 1 68 . 1 1 8 8 CYS HA H 1 4.28 0.03 . 1 . . . . 68 CYS HA . 16127 1 69 . 1 1 8 8 CYS HB2 H 1 2.37 0.03 . 2 . . . . 68 CYS HB2 . 16127 1 70 . 1 1 8 8 CYS HB3 H 1 2.80 0.03 . 2 . . . . 68 CYS HB3 . 16127 1 71 . 1 1 8 8 CYS HG H 1 1.90 0.03 . 1 . . . . 68 CYS HG . 16127 1 72 . 1 1 8 8 CYS C C 13 172.41 0.20 . 1 . . . . 68 CYS C . 16127 1 73 . 1 1 8 8 CYS CA C 13 58.92 0.20 . 1 . . . . 68 CYS CA . 16127 1 74 . 1 1 8 8 CYS CB C 13 28.92 0.20 . 1 . . . . 68 CYS CB . 16127 1 75 . 1 1 8 8 CYS N N 15 124.70 0.30 . 1 . . . . 68 CYS N . 16127 1 76 . 1 1 9 9 LEU H H 1 8.18 0.03 . 1 . . . . 69 LEU H . 16127 1 77 . 1 1 9 9 LEU HA H 1 4.58 0.03 . 1 . . . . 69 LEU HA . 16127 1 78 . 1 1 9 9 LEU HB2 H 1 0.70 0.03 . 2 . . . . 69 LEU HB2 . 16127 1 79 . 1 1 9 9 LEU HB3 H 1 1.56 0.03 . 2 . . . . 69 LEU HB3 . 16127 1 80 . 1 1 9 9 LEU HD11 H 1 0.26 0.03 . 2 . . . . 69 LEU HD1 . 16127 1 81 . 1 1 9 9 LEU HD12 H 1 0.26 0.03 . 2 . . . . 69 LEU HD1 . 16127 1 82 . 1 1 9 9 LEU HD13 H 1 0.26 0.03 . 2 . . . . 69 LEU HD1 . 16127 1 83 . 1 1 9 9 LEU HD21 H 1 -0.12 0.03 . 2 . . . . 69 LEU HD2 . 16127 1 84 . 1 1 9 9 LEU HD22 H 1 -0.12 0.03 . 2 . . . . 69 LEU HD2 . 16127 1 85 . 1 1 9 9 LEU HD23 H 1 -0.12 0.03 . 2 . . . . 69 LEU HD2 . 16127 1 86 . 1 1 9 9 LEU HG H 1 1.68 0.03 . 1 . . . . 69 LEU HG . 16127 1 87 . 1 1 9 9 LEU C C 13 176.77 0.20 . 1 . . . . 69 LEU C . 16127 1 88 . 1 1 9 9 LEU CA C 13 54.76 0.20 . 1 . . . . 69 LEU CA . 16127 1 89 . 1 1 9 9 LEU CB C 13 43.15 0.20 . 1 . . . . 69 LEU CB . 16127 1 90 . 1 1 9 9 LEU CD1 C 13 25.97 0.20 . 2 . . . . 69 LEU CD1 . 16127 1 91 . 1 1 9 9 LEU CD2 C 13 21.55 0.20 . 2 . . . . 69 LEU CD2 . 16127 1 92 . 1 1 9 9 LEU CG C 13 26.00 0.20 . 1 . . . . 69 LEU CG . 16127 1 93 . 1 1 9 9 LEU N N 15 122.65 0.30 . 1 . . . . 69 LEU N . 16127 1 94 . 1 1 10 10 ARG H H 1 8.88 0.03 . 1 . . . . 70 ARG H . 16127 1 95 . 1 1 10 10 ARG HA H 1 4.77 0.03 . 1 . . . . 70 ARG HA . 16127 1 96 . 1 1 10 10 ARG HB2 H 1 1.23 0.03 . 2 . . . . 70 ARG HB2 . 16127 1 97 . 1 1 10 10 ARG HB3 H 1 1.41 0.03 . 2 . . . . 70 ARG HB3 . 16127 1 98 . 1 1 10 10 ARG HD2 H 1 2.83 0.03 . 2 . . . . 70 ARG HD2 . 16127 1 99 . 1 1 10 10 ARG HD3 H 1 3.06 0.03 . 2 . . . . 70 ARG HD3 . 16127 1 100 . 1 1 10 10 ARG HG2 H 1 1.11 0.03 . 2 . . . . 70 ARG HG2 . 16127 1 101 . 1 1 10 10 ARG HG3 H 1 1.32 0.03 . 2 . . . . 70 ARG HG3 . 16127 1 102 . 1 1 10 10 ARG C C 13 174.90 0.20 . 1 . . . . 70 ARG C . 16127 1 103 . 1 1 10 10 ARG CA C 13 54.71 0.20 . 1 . . . . 70 ARG CA . 16127 1 104 . 1 1 10 10 ARG CB C 13 33.39 0.20 . 1 . . . . 70 ARG CB . 16127 1 105 . 1 1 10 10 ARG CD C 13 43.62 0.20 . 1 . . . . 70 ARG CD . 16127 1 106 . 1 1 10 10 ARG CG C 13 28.28 0.20 . 1 . . . . 70 ARG CG . 16127 1 107 . 1 1 10 10 ARG N N 15 117.65 0.30 . 1 . . . . 70 ARG N . 16127 1 108 . 1 1 11 11 GLU H H 1 8.64 0.03 . 1 . . . . 71 GLU H . 16127 1 109 . 1 1 11 11 GLU HA H 1 5.09 0.03 . 1 . . . . 71 GLU HA . 16127 1 110 . 1 1 11 11 GLU HB2 H 1 1.60 0.03 . 2 . . . . 71 GLU HB2 . 16127 1 111 . 1 1 11 11 GLU HB3 H 1 2.13 0.03 . 2 . . . . 71 GLU HB3 . 16127 1 112 . 1 1 11 11 GLU HG3 H 1 2.13 0.03 . 2 . . . . 71 GLU HG3 . 16127 1 113 . 1 1 11 11 GLU C C 13 176.07 0.20 . 1 . . . . 71 GLU C . 16127 1 114 . 1 1 11 11 GLU CA C 13 54.27 0.20 . 1 . . . . 71 GLU CA . 16127 1 115 . 1 1 11 11 GLU CB C 13 32.46 0.20 . 1 . . . . 71 GLU CB . 16127 1 116 . 1 1 11 11 GLU CG C 13 35.92 0.20 . 1 . . . . 71 GLU CG . 16127 1 117 . 1 1 11 11 GLU N N 15 123.91 0.30 . 1 . . . . 71 GLU N . 16127 1 118 . 1 1 12 12 ASP H H 1 9.51 0.03 . 1 . . . . 72 ASP H . 16127 1 119 . 1 1 12 12 ASP HA H 1 4.27 0.03 . 1 . . . . 72 ASP HA . 16127 1 120 . 1 1 12 12 ASP HB2 H 1 2.59 0.03 . 2 . . . . 72 ASP HB2 . 16127 1 121 . 1 1 12 12 ASP HB3 H 1 3.04 0.03 . 2 . . . . 72 ASP HB3 . 16127 1 122 . 1 1 12 12 ASP C C 13 175.89 0.20 . 1 . . . . 72 ASP C . 16127 1 123 . 1 1 12 12 ASP CA C 13 55.88 0.20 . 1 . . . . 72 ASP CA . 16127 1 124 . 1 1 12 12 ASP CB C 13 39.91 0.20 . 1 . . . . 72 ASP CB . 16127 1 125 . 1 1 12 12 ASP N N 15 129.44 0.30 . 1 . . . . 72 ASP N . 16127 1 126 . 1 1 13 13 GLY H H 1 8.97 0.03 . 1 . . . . 73 GLY H . 16127 1 127 . 1 1 13 13 GLY HA2 H 1 3.52 0.03 . 2 . . . . 73 GLY HA2 . 16127 1 128 . 1 1 13 13 GLY HA3 H 1 4.20 0.03 . 2 . . . . 73 GLY HA3 . 16127 1 129 . 1 1 13 13 GLY C C 13 173.96 0.20 . 1 . . . . 73 GLY C . 16127 1 130 . 1 1 13 13 GLY CA C 13 45.35 0.20 . 1 . . . . 73 GLY CA . 16127 1 131 . 1 1 13 13 GLY N N 15 103.50 0.30 . 1 . . . . 73 GLY N . 16127 1 132 . 1 1 14 14 GLU H H 1 7.66 0.03 . 1 . . . . 74 GLU H . 16127 1 133 . 1 1 14 14 GLU HA H 1 4.64 0.03 . 1 . . . . 74 GLU HA . 16127 1 134 . 1 1 14 14 GLU HB2 H 1 1.87 0.03 . 2 . . . . 74 GLU HB2 . 16127 1 135 . 1 1 14 14 GLU HB3 H 1 2.02 0.03 . 2 . . . . 74 GLU HB3 . 16127 1 136 . 1 1 14 14 GLU HG2 H 1 2.15 0.03 . 2 . . . . 74 GLU HG2 . 16127 1 137 . 1 1 14 14 GLU HG3 H 1 2.28 0.03 . 2 . . . . 74 GLU HG3 . 16127 1 138 . 1 1 14 14 GLU C C 13 176.17 0.20 . 1 . . . . 74 GLU C . 16127 1 139 . 1 1 14 14 GLU CA C 13 54.46 0.20 . 1 . . . . 74 GLU CA . 16127 1 140 . 1 1 14 14 GLU CB C 13 32.05 0.20 . 1 . . . . 74 GLU CB . 16127 1 141 . 1 1 14 14 GLU CG C 13 35.67 0.20 . 1 . . . . 74 GLU CG . 16127 1 142 . 1 1 14 14 GLU N N 15 121.33 0.30 . 1 . . . . 74 GLU N . 16127 1 143 . 1 1 15 15 ARG H H 1 9.00 0.03 . 1 . . . . 75 ARG H . 16127 1 144 . 1 1 15 15 ARG HA H 1 4.12 0.03 . 1 . . . . 75 ARG HA . 16127 1 145 . 1 1 15 15 ARG HB2 H 1 1.63 0.03 . 2 . . . . 75 ARG HB2 . 16127 1 146 . 1 1 15 15 ARG HB3 H 1 1.80 0.03 . 2 . . . . 75 ARG HB3 . 16127 1 147 . 1 1 15 15 ARG HD2 H 1 3.19 0.03 . 2 . . . . 75 ARG HD2 . 16127 1 148 . 1 1 15 15 ARG HD3 H 1 3.27 0.03 . 2 . . . . 75 ARG HD3 . 16127 1 149 . 1 1 15 15 ARG HG3 H 1 1.78 0.03 . 2 . . . . 75 ARG HG3 . 16127 1 150 . 1 1 15 15 ARG C C 13 175.23 0.20 . 1 . . . . 75 ARG C . 16127 1 151 . 1 1 15 15 ARG CA C 13 56.64 0.20 . 1 . . . . 75 ARG CA . 16127 1 152 . 1 1 15 15 ARG CB C 13 29.72 0.20 . 1 . . . . 75 ARG CB . 16127 1 153 . 1 1 15 15 ARG CD C 13 42.40 0.20 . 1 . . . . 75 ARG CD . 16127 1 154 . 1 1 15 15 ARG CG C 13 26.45 0.20 . 1 . . . . 75 ARG CG . 16127 1 155 . 1 1 15 15 ARG N N 15 127.99 0.30 . 1 . . . . 75 ARG N . 16127 1 156 . 1 1 16 16 CYS H H 1 8.87 0.03 . 1 . . . . 76 CYS H . 16127 1 157 . 1 1 16 16 CYS HA H 1 4.17 0.03 . 1 . . . . 76 CYS HA . 16127 1 158 . 1 1 16 16 CYS HB2 H 1 2.84 0.03 . 2 . . . . 76 CYS HB2 . 16127 1 159 . 1 1 16 16 CYS HB3 H 1 3.04 0.03 . 2 . . . . 76 CYS HB3 . 16127 1 160 . 1 1 16 16 CYS CA C 13 61.84 0.20 . 1 . . . . 76 CYS CA . 16127 1 161 . 1 1 16 16 CYS CB C 13 31.15 0.20 . 1 . . . . 76 CYS CB . 16127 1 162 . 1 1 16 16 CYS N N 15 131.84 0.30 . 1 . . . . 76 CYS N . 16127 1 163 . 1 1 17 17 GLY H H 1 8.53 0.03 . 1 . . . . 77 GLY H . 16127 1 164 . 1 1 17 17 GLY HA2 H 1 3.68 0.03 . 2 . . . . 77 GLY HA2 . 16127 1 165 . 1 1 17 17 GLY HA3 H 1 4.34 0.03 . 2 . . . . 77 GLY HA3 . 16127 1 166 . 1 1 17 17 GLY C C 13 174.62 0.20 . 1 . . . . 77 GLY C . 16127 1 167 . 1 1 17 17 GLY CA C 13 45.11 0.20 . 1 . . . . 77 GLY CA . 16127 1 168 . 1 1 17 17 GLY N N 15 111.93 0.30 . 1 . . . . 77 GLY N . 16127 1 169 . 1 1 18 18 ARG H H 1 8.96 0.03 . 1 . . . . 78 ARG H . 16127 1 170 . 1 1 18 18 ARG HA H 1 4.29 0.03 . 1 . . . . 78 ARG HA . 16127 1 171 . 1 1 18 18 ARG HB2 H 1 1.76 0.03 . 2 . . . . 78 ARG HB2 . 16127 1 172 . 1 1 18 18 ARG HB3 H 1 2.23 0.03 . 2 . . . . 78 ARG HB3 . 16127 1 173 . 1 1 18 18 ARG HD2 H 1 3.07 0.03 . 2 . . . . 78 ARG HD2 . 16127 1 174 . 1 1 18 18 ARG HD3 H 1 3.63 0.03 . 2 . . . . 78 ARG HD3 . 16127 1 175 . 1 1 18 18 ARG HG2 H 1 1.46 0.03 . 2 . . . . 78 ARG HG2 . 16127 1 176 . 1 1 18 18 ARG HG3 H 1 1.75 0.03 . 2 . . . . 78 ARG HG3 . 16127 1 177 . 1 1 18 18 ARG C C 13 175.27 0.20 . 1 . . . . 78 ARG C . 16127 1 178 . 1 1 18 18 ARG CA C 13 56.35 0.20 . 1 . . . . 78 ARG CA . 16127 1 179 . 1 1 18 18 ARG CB C 13 31.31 0.20 . 1 . . . . 78 ARG CB . 16127 1 180 . 1 1 18 18 ARG CD C 13 44.42 0.20 . 1 . . . . 78 ARG CD . 16127 1 181 . 1 1 18 18 ARG CG C 13 29.51 0.20 . 1 . . . . 78 ARG CG . 16127 1 182 . 1 1 18 18 ARG N N 15 124.39 0.30 . 1 . . . . 78 ARG N . 16127 1 183 . 1 1 19 19 ALA H H 1 8.34 0.03 . 1 . . . . 79 ALA H . 16127 1 184 . 1 1 19 19 ALA HA H 1 4.17 0.03 . 1 . . . . 79 ALA HA . 16127 1 185 . 1 1 19 19 ALA HB1 H 1 1.33 0.03 . 1 . . . . 79 ALA HB . 16127 1 186 . 1 1 19 19 ALA HB2 H 1 1.33 0.03 . 1 . . . . 79 ALA HB . 16127 1 187 . 1 1 19 19 ALA HB3 H 1 1.33 0.03 . 1 . . . . 79 ALA HB . 16127 1 188 . 1 1 19 19 ALA C C 13 177.62 0.20 . 1 . . . . 79 ALA C . 16127 1 189 . 1 1 19 19 ALA CA C 13 52.71 0.20 . 1 . . . . 79 ALA CA . 16127 1 190 . 1 1 19 19 ALA CB C 13 18.71 0.20 . 1 . . . . 79 ALA CB . 16127 1 191 . 1 1 19 19 ALA N N 15 123.88 0.30 . 1 . . . . 79 ALA N . 16127 1 192 . 1 1 20 20 ALA H H 1 8.47 0.03 . 1 . . . . 80 ALA H . 16127 1 193 . 1 1 20 20 ALA HA H 1 3.54 0.03 . 1 . . . . 80 ALA HA . 16127 1 194 . 1 1 20 20 ALA HB1 H 1 1.09 0.03 . 1 . . . . 80 ALA HB . 16127 1 195 . 1 1 20 20 ALA HB2 H 1 1.09 0.03 . 1 . . . . 80 ALA HB . 16127 1 196 . 1 1 20 20 ALA HB3 H 1 1.09 0.03 . 1 . . . . 80 ALA HB . 16127 1 197 . 1 1 20 20 ALA C C 13 177.56 0.20 . 1 . . . . 80 ALA C . 16127 1 198 . 1 1 20 20 ALA CA C 13 52.84 0.20 . 1 . . . . 80 ALA CA . 16127 1 199 . 1 1 20 20 ALA CB C 13 19.05 0.20 . 1 . . . . 80 ALA CB . 16127 1 200 . 1 1 20 20 ALA N N 15 124.58 0.30 . 1 . . . . 80 ALA N . 16127 1 201 . 1 1 21 21 GLY H H 1 8.09 0.03 . 1 . . . . 81 GLY H . 16127 1 202 . 1 1 21 21 GLY HA2 H 1 3.80 0.03 . 2 . . . . 81 GLY HA2 . 16127 1 203 . 1 1 21 21 GLY HA3 H 1 4.43 0.03 . 2 . . . . 81 GLY HA3 . 16127 1 204 . 1 1 21 21 GLY C C 13 173.17 0.20 . 1 . . . . 81 GLY C . 16127 1 205 . 1 1 21 21 GLY CA C 13 44.39 0.20 . 1 . . . . 81 GLY CA . 16127 1 206 . 1 1 21 21 GLY N N 15 114.00 0.30 . 1 . . . . 81 GLY N . 16127 1 207 . 1 1 22 22 ASN H H 1 8.69 0.03 . 1 . . . . 82 ASN H . 16127 1 208 . 1 1 22 22 ASN HA H 1 4.65 0.03 . 1 . . . . 82 ASN HA . 16127 1 209 . 1 1 22 22 ASN HB2 H 1 2.74 0.03 . 2 . . . . 82 ASN HB2 . 16127 1 210 . 1 1 22 22 ASN HB3 H 1 2.81 0.03 . 2 . . . . 82 ASN HB3 . 16127 1 211 . 1 1 22 22 ASN HD21 H 1 7.48 0.03 . 2 . . . . 82 ASN HD21 . 16127 1 212 . 1 1 22 22 ASN HD22 H 1 6.88 0.03 . 2 . . . . 82 ASN HD22 . 16127 1 213 . 1 1 22 22 ASN C C 13 176.26 0.20 . 1 . . . . 82 ASN C . 16127 1 214 . 1 1 22 22 ASN CA C 13 53.58 0.20 . 1 . . . . 82 ASN CA . 16127 1 215 . 1 1 22 22 ASN CB C 13 39.58 0.20 . 1 . . . . 82 ASN CB . 16127 1 216 . 1 1 22 22 ASN N N 15 118.16 0.30 . 1 . . . . 82 ASN N . 16127 1 217 . 1 1 22 22 ASN ND2 N 15 113.20 0.30 . 1 . . . . 82 ASN ND2 . 16127 1 218 . 1 1 23 23 ALA H H 1 8.72 0.03 . 1 . . . . 83 ALA H . 16127 1 219 . 1 1 23 23 ALA HA H 1 4.57 0.03 . 1 . . . . 83 ALA HA . 16127 1 220 . 1 1 23 23 ALA HB1 H 1 1.48 0.03 . 1 . . . . 83 ALA HB . 16127 1 221 . 1 1 23 23 ALA HB2 H 1 1.48 0.03 . 1 . . . . 83 ALA HB . 16127 1 222 . 1 1 23 23 ALA HB3 H 1 1.48 0.03 . 1 . . . . 83 ALA HB . 16127 1 223 . 1 1 23 23 ALA C C 13 175.91 0.20 . 1 . . . . 83 ALA C . 16127 1 224 . 1 1 23 23 ALA CA C 13 52.34 0.20 . 1 . . . . 83 ALA CA . 16127 1 225 . 1 1 23 23 ALA CB C 13 19.37 0.20 . 1 . . . . 83 ALA CB . 16127 1 226 . 1 1 23 23 ALA N N 15 125.18 0.30 . 1 . . . . 83 ALA N . 16127 1 227 . 1 1 24 24 SER H H 1 7.97 0.03 . 1 . . . . 84 SER H . 16127 1 228 . 1 1 24 24 SER HA H 1 5.31 0.03 . 1 . . . . 84 SER HA . 16127 1 229 . 1 1 24 24 SER HB3 H 1 3.44 0.03 . 2 . . . . 84 SER HB3 . 16127 1 230 . 1 1 24 24 SER C C 13 174.62 0.20 . 1 . . . . 84 SER C . 16127 1 231 . 1 1 24 24 SER CA C 13 56.55 0.20 . 1 . . . . 84 SER CA . 16127 1 232 . 1 1 24 24 SER CB C 13 66.42 0.20 . 1 . . . . 84 SER CB . 16127 1 233 . 1 1 24 24 SER N N 15 112.84 0.30 . 1 . . . . 84 SER N . 16127 1 234 . 1 1 25 25 PHE H H 1 9.58 0.03 . 1 . . . . 85 PHE H . 16127 1 235 . 1 1 25 25 PHE HA H 1 4.32 0.03 . 1 . . . . 85 PHE HA . 16127 1 236 . 1 1 25 25 PHE HB2 H 1 2.64 0.03 . 2 . . . . 85 PHE HB2 . 16127 1 237 . 1 1 25 25 PHE HB3 H 1 3.00 0.03 . 2 . . . . 85 PHE HB3 . 16127 1 238 . 1 1 25 25 PHE HD1 H 1 6.99 0.03 . 3 . . . . 85 PHE HD1 . 16127 1 239 . 1 1 25 25 PHE HE1 H 1 7.09 0.03 . 3 . . . . 85 PHE HE1 . 16127 1 240 . 1 1 25 25 PHE HZ H 1 7.16 0.03 . 1 . . . . 85 PHE HZ . 16127 1 241 . 1 1 25 25 PHE C C 13 173.43 0.20 . 1 . . . . 85 PHE C . 16127 1 242 . 1 1 25 25 PHE CA C 13 57.78 0.20 . 1 . . . . 85 PHE CA . 16127 1 243 . 1 1 25 25 PHE CB C 13 38.78 0.20 . 1 . . . . 85 PHE CB . 16127 1 244 . 1 1 25 25 PHE CD1 C 13 131.83 0.20 . 1 . . . . 85 PHE CD1 . 16127 1 245 . 1 1 25 25 PHE CE1 C 13 131.60 0.20 . 1 . . . . 85 PHE CE1 . 16127 1 246 . 1 1 25 25 PHE CZ C 13 129.50 0.20 . 1 . . . . 85 PHE CZ . 16127 1 247 . 1 1 25 25 PHE N N 15 125.52 0.30 . 1 . . . . 85 PHE N . 16127 1 248 . 1 1 26 26 SER H H 1 6.78 0.03 . 1 . . . . 86 SER H . 16127 1 249 . 1 1 26 26 SER HA H 1 4.43 0.03 . 1 . . . . 86 SER HA . 16127 1 250 . 1 1 26 26 SER HB2 H 1 3.78 0.03 . 2 . . . . 86 SER HB2 . 16127 1 251 . 1 1 26 26 SER HB3 H 1 4.14 0.03 . 2 . . . . 86 SER HB3 . 16127 1 252 . 1 1 26 26 SER C C 13 174.20 0.20 . 1 . . . . 86 SER C . 16127 1 253 . 1 1 26 26 SER CA C 13 56.61 0.20 . 1 . . . . 86 SER CA . 16127 1 254 . 1 1 26 26 SER CB C 13 66.01 0.20 . 1 . . . . 86 SER CB . 16127 1 255 . 1 1 26 26 SER N N 15 118.86 0.30 . 1 . . . . 86 SER N . 16127 1 256 . 1 1 27 27 LYS H H 1 8.71 0.03 . 1 . . . . 87 LYS H . 16127 1 257 . 1 1 27 27 LYS HA H 1 3.85 0.03 . 1 . . . . 87 LYS HA . 16127 1 258 . 1 1 27 27 LYS HB3 H 1 1.78 0.03 . 2 . . . . 87 LYS HB3 . 16127 1 259 . 1 1 27 27 LYS HD3 H 1 1.66 0.03 . 2 . . . . 87 LYS HD3 . 16127 1 260 . 1 1 27 27 LYS HE3 H 1 2.96 0.03 . 2 . . . . 87 LYS HE3 . 16127 1 261 . 1 1 27 27 LYS HG2 H 1 1.41 0.03 . 2 . . . . 87 LYS HG2 . 16127 1 262 . 1 1 27 27 LYS HG3 H 1 1.50 0.03 . 2 . . . . 87 LYS HG3 . 16127 1 263 . 1 1 27 27 LYS C C 13 178.49 0.20 . 1 . . . . 87 LYS C . 16127 1 264 . 1 1 27 27 LYS CA C 13 59.39 0.20 . 1 . . . . 87 LYS CA . 16127 1 265 . 1 1 27 27 LYS CB C 13 31.97 0.20 . 1 . . . . 87 LYS CB . 16127 1 266 . 1 1 27 27 LYS CD C 13 29.04 0.20 . 1 . . . . 87 LYS CD . 16127 1 267 . 1 1 27 27 LYS CE C 13 41.93 0.20 . 1 . . . . 87 LYS CE . 16127 1 268 . 1 1 27 27 LYS CG C 13 25.30 0.20 . 1 . . . . 87 LYS CG . 16127 1 269 . 1 1 27 27 LYS N N 15 121.79 0.30 . 1 . . . . 87 LYS N . 16127 1 270 . 1 1 28 28 ARG H H 1 8.01 0.03 . 1 . . . . 88 ARG H . 16127 1 271 . 1 1 28 28 ARG HA H 1 3.99 0.03 . 1 . . . . 88 ARG HA . 16127 1 272 . 1 1 28 28 ARG HB2 H 1 1.70 0.03 . 2 . . . . 88 ARG HB2 . 16127 1 273 . 1 1 28 28 ARG HB3 H 1 1.77 0.03 . 2 . . . . 88 ARG HB3 . 16127 1 274 . 1 1 28 28 ARG HD3 H 1 3.15 0.03 . 2 . . . . 88 ARG HD3 . 16127 1 275 . 1 1 28 28 ARG HG2 H 1 1.55 0.03 . 2 . . . . 88 ARG HG2 . 16127 1 276 . 1 1 28 28 ARG HG3 H 1 1.61 0.03 . 2 . . . . 88 ARG HG3 . 16127 1 277 . 1 1 28 28 ARG C C 13 178.89 0.20 . 1 . . . . 88 ARG C . 16127 1 278 . 1 1 28 28 ARG CA C 13 59.01 0.20 . 1 . . . . 88 ARG CA . 16127 1 279 . 1 1 28 28 ARG CB C 13 30.12 0.20 . 1 . . . . 88 ARG CB . 16127 1 280 . 1 1 28 28 ARG CD C 13 43.37 0.20 . 1 . . . . 88 ARG CD . 16127 1 281 . 1 1 28 28 ARG CG C 13 27.37 0.20 . 1 . . . . 88 ARG CG . 16127 1 282 . 1 1 28 28 ARG N N 15 119.52 0.30 . 1 . . . . 88 ARG N . 16127 1 283 . 1 1 29 29 ILE H H 1 7.35 0.03 . 1 . . . . 89 ILE H . 16127 1 284 . 1 1 29 29 ILE HA H 1 3.68 0.03 . 1 . . . . 89 ILE HA . 16127 1 285 . 1 1 29 29 ILE HB H 1 1.74 0.03 . 1 . . . . 89 ILE HB . 16127 1 286 . 1 1 29 29 ILE HD11 H 1 0.82 0.03 . 1 . . . . 89 ILE HD1 . 16127 1 287 . 1 1 29 29 ILE HD12 H 1 0.82 0.03 . 1 . . . . 89 ILE HD1 . 16127 1 288 . 1 1 29 29 ILE HD13 H 1 0.82 0.03 . 1 . . . . 89 ILE HD1 . 16127 1 289 . 1 1 29 29 ILE HG12 H 1 1.24 0.03 . 2 . . . . 89 ILE HG12 . 16127 1 290 . 1 1 29 29 ILE HG13 H 1 1.55 0.03 . 2 . . . . 89 ILE HG13 . 16127 1 291 . 1 1 29 29 ILE HG21 H 1 0.82 0.03 . 1 . . . . 89 ILE HG2 . 16127 1 292 . 1 1 29 29 ILE HG22 H 1 0.82 0.03 . 1 . . . . 89 ILE HG2 . 16127 1 293 . 1 1 29 29 ILE HG23 H 1 0.82 0.03 . 1 . . . . 89 ILE HG2 . 16127 1 294 . 1 1 29 29 ILE C C 13 177.62 0.20 . 1 . . . . 89 ILE C . 16127 1 295 . 1 1 29 29 ILE CA C 13 63.17 0.20 . 1 . . . . 89 ILE CA . 16127 1 296 . 1 1 29 29 ILE CB C 13 36.90 0.20 . 1 . . . . 89 ILE CB . 16127 1 297 . 1 1 29 29 ILE CD1 C 13 11.55 0.20 . 1 . . . . 89 ILE CD1 . 16127 1 298 . 1 1 29 29 ILE CG1 C 13 28.80 0.20 . 1 . . . . 89 ILE CG1 . 16127 1 299 . 1 1 29 29 ILE CG2 C 13 18.26 0.20 . 1 . . . . 89 ILE CG2 . 16127 1 300 . 1 1 29 29 ILE N N 15 121.98 0.30 . 1 . . . . 89 ILE N . 16127 1 301 . 1 1 30 30 GLN H H 1 7.99 0.03 . 1 . . . . 90 GLN H . 16127 1 302 . 1 1 30 30 GLN HA H 1 3.63 0.03 . 1 . . . . 90 GLN HA . 16127 1 303 . 1 1 30 30 GLN HB2 H 1 1.81 0.03 . 2 . . . . 90 GLN HB2 . 16127 1 304 . 1 1 30 30 GLN HB3 H 1 2.02 0.03 . 2 . . . . 90 GLN HB3 . 16127 1 305 . 1 1 30 30 GLN HE21 H 1 7.22 0.03 . 2 . . . . 90 GLN HE21 . 16127 1 306 . 1 1 30 30 GLN HE22 H 1 6.94 0.03 . 2 . . . . 90 GLN HE22 . 16127 1 307 . 1 1 30 30 GLN HG3 H 1 2.02 0.03 . 2 . . . . 90 GLN HG3 . 16127 1 308 . 1 1 30 30 GLN C C 13 178.32 0.20 . 1 . . . . 90 GLN C . 16127 1 309 . 1 1 30 30 GLN CA C 13 59.20 0.20 . 1 . . . . 90 GLN CA . 16127 1 310 . 1 1 30 30 GLN CB C 13 28.70 0.20 . 1 . . . . 90 GLN CB . 16127 1 311 . 1 1 30 30 GLN CG C 13 34.04 0.20 . 1 . . . . 90 GLN CG . 16127 1 312 . 1 1 30 30 GLN N N 15 121.02 0.30 . 1 . . . . 90 GLN N . 16127 1 313 . 1 1 30 30 GLN NE2 N 15 112.77 0.30 . 1 . . . . 90 GLN NE2 . 16127 1 314 . 1 1 31 31 LYS H H 1 7.99 0.03 . 1 . . . . 91 LYS H . 16127 1 315 . 1 1 31 31 LYS HA H 1 4.09 0.03 . 1 . . . . 91 LYS HA . 16127 1 316 . 1 1 31 31 LYS HB3 H 1 1.87 0.03 . 2 . . . . 91 LYS HB3 . 16127 1 317 . 1 1 31 31 LYS HD3 H 1 1.64 0.03 . 2 . . . . 91 LYS HD3 . 16127 1 318 . 1 1 31 31 LYS HE3 H 1 2.91 0.03 . 2 . . . . 91 LYS HE3 . 16127 1 319 . 1 1 31 31 LYS HG2 H 1 1.40 0.03 . 2 . . . . 91 LYS HG2 . 16127 1 320 . 1 1 31 31 LYS HG3 H 1 1.49 0.03 . 2 . . . . 91 LYS HG3 . 16127 1 321 . 1 1 31 31 LYS C C 13 178.65 0.20 . 1 . . . . 91 LYS C . 16127 1 322 . 1 1 31 31 LYS CA C 13 58.72 0.20 . 1 . . . . 91 LYS CA . 16127 1 323 . 1 1 31 31 LYS CB C 13 32.22 0.20 . 1 . . . . 91 LYS CB . 16127 1 324 . 1 1 31 31 LYS CD C 13 29.05 0.20 . 1 . . . . 91 LYS CD . 16127 1 325 . 1 1 31 31 LYS CE C 13 42.00 0.20 . 1 . . . . 91 LYS CE . 16127 1 326 . 1 1 31 31 LYS CG C 13 25.06 0.20 . 1 . . . . 91 LYS CG . 16127 1 327 . 1 1 31 31 LYS N N 15 119.52 0.30 . 1 . . . . 91 LYS N . 16127 1 328 . 1 1 32 32 SER H H 1 7.77 0.03 . 1 . . . . 92 SER H . 16127 1 329 . 1 1 32 32 SER HA H 1 4.32 0.03 . 1 . . . . 92 SER HA . 16127 1 330 . 1 1 32 32 SER HB2 H 1 3.88 0.03 . 2 . . . . 92 SER HB2 . 16127 1 331 . 1 1 32 32 SER HB3 H 1 3.94 0.03 . 2 . . . . 92 SER HB3 . 16127 1 332 . 1 1 32 32 SER C C 13 176.11 0.20 . 1 . . . . 92 SER C . 16127 1 333 . 1 1 32 32 SER CA C 13 61.26 0.20 . 1 . . . . 92 SER CA . 16127 1 334 . 1 1 32 32 SER CB C 13 63.61 0.20 . 1 . . . . 92 SER CB . 16127 1 335 . 1 1 32 32 SER N N 15 116.31 0.30 . 1 . . . . 92 SER N . 16127 1 336 . 1 1 33 33 ILE H H 1 7.96 0.03 . 1 . . . . 93 ILE H . 16127 1 337 . 1 1 33 33 ILE HA H 1 3.92 0.03 . 1 . . . . 93 ILE HA . 16127 1 338 . 1 1 33 33 ILE HB H 1 2.06 0.03 . 1 . . . . 93 ILE HB . 16127 1 339 . 1 1 33 33 ILE HD11 H 1 0.88 0.03 . 1 . . . . 93 ILE HD1 . 16127 1 340 . 1 1 33 33 ILE HD12 H 1 0.88 0.03 . 1 . . . . 93 ILE HD1 . 16127 1 341 . 1 1 33 33 ILE HD13 H 1 0.88 0.03 . 1 . . . . 93 ILE HD1 . 16127 1 342 . 1 1 33 33 ILE HG12 H 1 1.12 0.03 . 2 . . . . 93 ILE HG12 . 16127 1 343 . 1 1 33 33 ILE HG13 H 1 1.67 0.03 . 2 . . . . 93 ILE HG13 . 16127 1 344 . 1 1 33 33 ILE HG21 H 1 1.02 0.03 . 1 . . . . 93 ILE HG2 . 16127 1 345 . 1 1 33 33 ILE HG22 H 1 1.02 0.03 . 1 . . . . 93 ILE HG2 . 16127 1 346 . 1 1 33 33 ILE HG23 H 1 1.02 0.03 . 1 . . . . 93 ILE HG2 . 16127 1 347 . 1 1 33 33 ILE C C 13 177.48 0.20 . 1 . . . . 93 ILE C . 16127 1 348 . 1 1 33 33 ILE CA C 13 63.61 0.20 . 1 . . . . 93 ILE CA . 16127 1 349 . 1 1 33 33 ILE CB C 13 38.33 0.20 . 1 . . . . 93 ILE CB . 16127 1 350 . 1 1 33 33 ILE CD1 C 13 14.50 0.20 . 1 . . . . 93 ILE CD1 . 16127 1 351 . 1 1 33 33 ILE CG1 C 13 28.58 0.20 . 1 . . . . 93 ILE CG1 . 16127 1 352 . 1 1 33 33 ILE CG2 C 13 18.03 0.20 . 1 . . . . 93 ILE CG2 . 16127 1 353 . 1 1 33 33 ILE N N 15 119.95 0.30 . 1 . . . . 93 ILE N . 16127 1 354 . 1 1 34 34 SER H H 1 7.97 0.03 . 1 . . . . 94 SER H . 16127 1 355 . 1 1 34 34 SER HA H 1 4.39 0.03 . 1 . . . . 94 SER HA . 16127 1 356 . 1 1 34 34 SER HB3 H 1 4.01 0.03 . 2 . . . . 94 SER HB3 . 16127 1 357 . 1 1 34 34 SER C C 13 176.49 0.20 . 1 . . . . 94 SER C . 16127 1 358 . 1 1 34 34 SER CA C 13 60.56 0.20 . 1 . . . . 94 SER CA . 16127 1 359 . 1 1 34 34 SER CB C 13 63.13 0.20 . 1 . . . . 94 SER CB . 16127 1 360 . 1 1 34 34 SER N N 15 117.23 0.30 . 1 . . . . 94 SER N . 16127 1 361 . 1 1 35 35 GLN H H 1 8.22 0.03 . 1 . . . . 95 GLN H . 16127 1 362 . 1 1 35 35 GLN HA H 1 4.26 0.03 . 1 . . . . 95 GLN HA . 16127 1 363 . 1 1 35 35 GLN HB2 H 1 2.14 0.03 . 2 . . . . 95 GLN HB2 . 16127 1 364 . 1 1 35 35 GLN HB3 H 1 2.23 0.03 . 2 . . . . 95 GLN HB3 . 16127 1 365 . 1 1 35 35 GLN HE21 H 1 7.46 0.03 . 2 . . . . 95 GLN HE21 . 16127 1 366 . 1 1 35 35 GLN HE22 H 1 6.86 0.03 . 2 . . . . 95 GLN HE22 . 16127 1 367 . 1 1 35 35 GLN HG2 H 1 2.39 0.03 . 2 . . . . 95 GLN HG2 . 16127 1 368 . 1 1 35 35 GLN HG3 H 1 2.49 0.03 . 2 . . . . 95 GLN HG3 . 16127 1 369 . 1 1 35 35 GLN C C 13 177.05 0.20 . 1 . . . . 95 GLN C . 16127 1 370 . 1 1 35 35 GLN CA C 13 57.36 0.20 . 1 . . . . 95 GLN CA . 16127 1 371 . 1 1 35 35 GLN CB C 13 28.90 0.20 . 1 . . . . 95 GLN CB . 16127 1 372 . 1 1 35 35 GLN CG C 13 34.20 0.20 . 1 . . . . 95 GLN CG . 16127 1 373 . 1 1 35 35 GLN N N 15 121.53 0.30 . 1 . . . . 95 GLN N . 16127 1 374 . 1 1 35 35 GLN NE2 N 15 112.48 0.30 . 1 . . . . 95 GLN NE2 . 16127 1 375 . 1 1 36 36 LYS H H 1 7.87 0.03 . 1 . . . . 96 LYS H . 16127 1 376 . 1 1 36 36 LYS HA H 1 4.28 0.03 . 1 . . . . 96 LYS HA . 16127 1 377 . 1 1 36 36 LYS HB2 H 1 1.82 0.03 . 2 . . . . 96 LYS HB2 . 16127 1 378 . 1 1 36 36 LYS HB3 H 1 1.94 0.03 . 2 . . . . 96 LYS HB3 . 16127 1 379 . 1 1 36 36 LYS HD3 H 1 1.64 0.03 . 2 . . . . 96 LYS HD3 . 16127 1 380 . 1 1 36 36 LYS HE3 H 1 3.00 0.03 . 2 . . . . 96 LYS HE3 . 16127 1 381 . 1 1 36 36 LYS HG2 H 1 1.45 0.03 . 2 . . . . 96 LYS HG2 . 16127 1 382 . 1 1 36 36 LYS HG3 H 1 1.59 0.03 . 2 . . . . 96 LYS HG3 . 16127 1 383 . 1 1 36 36 LYS C C 13 176.16 0.20 . 1 . . . . 96 LYS C . 16127 1 384 . 1 1 36 36 LYS CA C 13 56.57 0.20 . 1 . . . . 96 LYS CA . 16127 1 385 . 1 1 36 36 LYS CB C 13 33.60 0.20 . 1 . . . . 96 LYS CB . 16127 1 386 . 1 1 36 36 LYS CD C 13 29.04 0.20 . 1 . . . . 96 LYS CD . 16127 1 387 . 1 1 36 36 LYS CE C 13 42.40 0.20 . 1 . . . . 96 LYS CE . 16127 1 388 . 1 1 36 36 LYS CG C 13 25.80 0.20 . 1 . . . . 96 LYS CG . 16127 1 389 . 1 1 36 36 LYS N N 15 118.55 0.30 . 1 . . . . 96 LYS N . 16127 1 390 . 1 1 37 37 LYS H H 1 8.11 0.03 . 1 . . . . 97 LYS H . 16127 1 391 . 1 1 37 37 LYS HA H 1 4.11 0.03 . 1 . . . . 97 LYS HA . 16127 1 392 . 1 1 37 37 LYS HB3 H 1 1.92 0.03 . 2 . . . . 97 LYS HB3 . 16127 1 393 . 1 1 37 37 LYS HD3 H 1 1.67 0.03 . 2 . . . . 97 LYS HD3 . 16127 1 394 . 1 1 37 37 LYS HE3 H 1 2.98 0.03 . 2 . . . . 97 LYS HE3 . 16127 1 395 . 1 1 37 37 LYS HG3 H 1 1.39 0.03 . 2 . . . . 97 LYS HG3 . 16127 1 396 . 1 1 37 37 LYS C C 13 176.21 0.20 . 1 . . . . 97 LYS C . 16127 1 397 . 1 1 37 37 LYS CA C 13 57.23 0.20 . 1 . . . . 97 LYS CA . 16127 1 398 . 1 1 37 37 LYS CB C 13 30.58 0.20 . 1 . . . . 97 LYS CB . 16127 1 399 . 1 1 37 37 LYS CD C 13 29.08 0.20 . 1 . . . . 97 LYS CD . 16127 1 400 . 1 1 37 37 LYS CE C 13 42.20 0.20 . 1 . . . . 97 LYS CE . 16127 1 401 . 1 1 37 37 LYS CG C 13 25.00 0.20 . 1 . . . . 97 LYS CG . 16127 1 402 . 1 1 37 37 LYS N N 15 117.68 0.30 . 1 . . . . 97 LYS N . 16127 1 403 . 1 1 38 38 VAL H H 1 7.43 0.03 . 1 . . . . 98 VAL H . 16127 1 404 . 1 1 38 38 VAL HA H 1 4.35 0.03 . 1 . . . . 98 VAL HA . 16127 1 405 . 1 1 38 38 VAL HB H 1 2.06 0.03 . 1 . . . . 98 VAL HB . 16127 1 406 . 1 1 38 38 VAL HG11 H 1 0.91 0.03 . 1 . . . . 98 VAL HG1 . 16127 1 407 . 1 1 38 38 VAL HG12 H 1 0.91 0.03 . 1 . . . . 98 VAL HG1 . 16127 1 408 . 1 1 38 38 VAL HG13 H 1 0.91 0.03 . 1 . . . . 98 VAL HG1 . 16127 1 409 . 1 1 38 38 VAL HG21 H 1 0.91 0.03 . 1 . . . . 98 VAL HG2 . 16127 1 410 . 1 1 38 38 VAL HG22 H 1 0.91 0.03 . 1 . . . . 98 VAL HG2 . 16127 1 411 . 1 1 38 38 VAL HG23 H 1 0.91 0.03 . 1 . . . . 98 VAL HG2 . 16127 1 412 . 1 1 38 38 VAL C C 13 175.83 0.20 . 1 . . . . 98 VAL C . 16127 1 413 . 1 1 38 38 VAL CA C 13 60.58 0.20 . 1 . . . . 98 VAL CA . 16127 1 414 . 1 1 38 38 VAL CB C 13 33.41 0.20 . 1 . . . . 98 VAL CB . 16127 1 415 . 1 1 38 38 VAL CG1 C 13 21.90 0.20 . 1 . . . . 98 VAL CG1 . 16127 1 416 . 1 1 38 38 VAL CG2 C 13 20.72 0.20 . 1 . . . . 98 VAL CG2 . 16127 1 417 . 1 1 38 38 VAL N N 15 115.86 0.30 . 1 . . . . 98 VAL N . 16127 1 418 . 1 1 39 39 LYS H H 1 8.96 0.03 . 1 . . . . 99 LYS H . 16127 1 419 . 1 1 39 39 LYS HA H 1 4.43 0.03 . 1 . . . . 99 LYS HA . 16127 1 420 . 1 1 39 39 LYS HB3 H 1 1.89 0.03 . 2 . . . . 99 LYS HB3 . 16127 1 421 . 1 1 39 39 LYS HD3 H 1 1.64 0.03 . 2 . . . . 99 LYS HD3 . 16127 1 422 . 1 1 39 39 LYS HE3 H 1 2.93 0.03 . 2 . . . . 99 LYS HE3 . 16127 1 423 . 1 1 39 39 LYS HG2 H 1 1.34 0.03 . 2 . . . . 99 LYS HG2 . 16127 1 424 . 1 1 39 39 LYS HG3 H 1 1.43 0.03 . 2 . . . . 99 LYS HG3 . 16127 1 425 . 1 1 39 39 LYS C C 13 175.70 0.20 . 1 . . . . 99 LYS C . 16127 1 426 . 1 1 39 39 LYS CA C 13 55.42 0.20 . 1 . . . . 99 LYS CA . 16127 1 427 . 1 1 39 39 LYS CB C 13 30.58 0.20 . 1 . . . . 99 LYS CB . 16127 1 428 . 1 1 39 39 LYS CD C 13 29.04 0.20 . 1 . . . . 99 LYS CD . 16127 1 429 . 1 1 39 39 LYS CE C 13 42.17 0.20 . 1 . . . . 99 LYS CE . 16127 1 430 . 1 1 39 39 LYS CG C 13 24.82 0.20 . 1 . . . . 99 LYS CG . 16127 1 431 . 1 1 39 39 LYS N N 15 127.71 0.30 . 1 . . . . 99 LYS N . 16127 1 432 . 1 1 40 40 ILE H H 1 7.66 0.03 . 1 . . . . 100 ILE H . 16127 1 433 . 1 1 40 40 ILE HA H 1 5.02 0.03 . 1 . . . . 100 ILE HA . 16127 1 434 . 1 1 40 40 ILE HB H 1 1.47 0.03 . 1 . . . . 100 ILE HB . 16127 1 435 . 1 1 40 40 ILE HD11 H 1 0.68 0.03 . 1 . . . . 100 ILE HD1 . 16127 1 436 . 1 1 40 40 ILE HD12 H 1 0.68 0.03 . 1 . . . . 100 ILE HD1 . 16127 1 437 . 1 1 40 40 ILE HD13 H 1 0.68 0.03 . 1 . . . . 100 ILE HD1 . 16127 1 438 . 1 1 40 40 ILE HG12 H 1 0.88 0.03 . 2 . . . . 100 ILE HG12 . 16127 1 439 . 1 1 40 40 ILE HG13 H 1 1.48 0.03 . 2 . . . . 100 ILE HG13 . 16127 1 440 . 1 1 40 40 ILE HG21 H 1 0.59 0.03 . 1 . . . . 100 ILE HG2 . 16127 1 441 . 1 1 40 40 ILE HG22 H 1 0.59 0.03 . 1 . . . . 100 ILE HG2 . 16127 1 442 . 1 1 40 40 ILE HG23 H 1 0.59 0.03 . 1 . . . . 100 ILE HG2 . 16127 1 443 . 1 1 40 40 ILE C C 13 174.52 0.20 . 1 . . . . 100 ILE C . 16127 1 444 . 1 1 40 40 ILE CA C 13 59.37 0.20 . 1 . . . . 100 ILE CA . 16127 1 445 . 1 1 40 40 ILE CB C 13 40.65 0.20 . 1 . . . . 100 ILE CB . 16127 1 446 . 1 1 40 40 ILE CD1 C 13 13.34 0.20 . 1 . . . . 100 ILE CD1 . 16127 1 447 . 1 1 40 40 ILE CG1 C 13 27.87 0.20 . 1 . . . . 100 ILE CG1 . 16127 1 448 . 1 1 40 40 ILE CG2 C 13 19.43 0.20 . 1 . . . . 100 ILE CG2 . 16127 1 449 . 1 1 40 40 ILE N N 15 123.14 0.30 . 1 . . . . 100 ILE N . 16127 1 450 . 1 1 41 41 GLU H H 1 8.49 0.03 . 1 . . . . 101 GLU H . 16127 1 451 . 1 1 41 41 GLU HA H 1 4.62 0.03 . 1 . . . . 101 GLU HA . 16127 1 452 . 1 1 41 41 GLU HB2 H 1 1.77 0.03 . 2 . . . . 101 GLU HB2 . 16127 1 453 . 1 1 41 41 GLU HB3 H 1 1.92 0.03 . 2 . . . . 101 GLU HB3 . 16127 1 454 . 1 1 41 41 GLU HG2 H 1 1.88 0.03 . 2 . . . . 101 GLU HG2 . 16127 1 455 . 1 1 41 41 GLU HG3 H 1 2.09 0.03 . 2 . . . . 101 GLU HG3 . 16127 1 456 . 1 1 41 41 GLU C C 13 173.59 0.20 . 1 . . . . 101 GLU C . 16127 1 457 . 1 1 41 41 GLU CA C 13 53.74 0.20 . 1 . . . . 101 GLU CA . 16127 1 458 . 1 1 41 41 GLU CB C 13 34.58 0.20 . 1 . . . . 101 GLU CB . 16127 1 459 . 1 1 41 41 GLU CG C 13 36.08 0.20 . 1 . . . . 101 GLU CG . 16127 1 460 . 1 1 41 41 GLU N N 15 123.46 0.30 . 1 . . . . 101 GLU N . 16127 1 461 . 1 1 42 42 LEU H H 1 8.49 0.03 . 1 . . . . 102 LEU H . 16127 1 462 . 1 1 42 42 LEU HA H 1 3.79 0.03 . 1 . . . . 102 LEU HA . 16127 1 463 . 1 1 42 42 LEU HB2 H 1 0.89 0.03 . 2 . . . . 102 LEU HB2 . 16127 1 464 . 1 1 42 42 LEU HB3 H 1 1.50 0.03 . 2 . . . . 102 LEU HB3 . 16127 1 465 . 1 1 42 42 LEU HD11 H 1 0.68 0.03 . 2 . . . . 102 LEU HD1 . 16127 1 466 . 1 1 42 42 LEU HD12 H 1 0.68 0.03 . 2 . . . . 102 LEU HD1 . 16127 1 467 . 1 1 42 42 LEU HD13 H 1 0.68 0.03 . 2 . . . . 102 LEU HD1 . 16127 1 468 . 1 1 42 42 LEU HD21 H 1 0.64 0.03 . 2 . . . . 102 LEU HD2 . 16127 1 469 . 1 1 42 42 LEU HD22 H 1 0.64 0.03 . 2 . . . . 102 LEU HD2 . 16127 1 470 . 1 1 42 42 LEU HD23 H 1 0.64 0.03 . 2 . . . . 102 LEU HD2 . 16127 1 471 . 1 1 42 42 LEU HG H 1 1.06 0.03 . 1 . . . . 102 LEU HG . 16127 1 472 . 1 1 42 42 LEU C C 13 176.44 0.20 . 1 . . . . 102 LEU C . 16127 1 473 . 1 1 42 42 LEU CA C 13 55.19 0.20 . 1 . . . . 102 LEU CA . 16127 1 474 . 1 1 42 42 LEU CB C 13 43.10 0.20 . 1 . . . . 102 LEU CB . 16127 1 475 . 1 1 42 42 LEU CD1 C 13 26.00 0.20 . 2 . . . . 102 LEU CD1 . 16127 1 476 . 1 1 42 42 LEU CD2 C 13 24.27 0.20 . 2 . . . . 102 LEU CD2 . 16127 1 477 . 1 1 42 42 LEU CG C 13 26.70 0.20 . 1 . . . . 102 LEU CG . 16127 1 478 . 1 1 42 42 LEU N N 15 123.47 0.30 . 1 . . . . 102 LEU N . 16127 1 479 . 1 1 43 43 ASP H H 1 8.77 0.03 . 1 . . . . 103 ASP H . 16127 1 480 . 1 1 43 43 ASP HA H 1 4.52 0.03 . 1 . . . . 103 ASP HA . 16127 1 481 . 1 1 43 43 ASP HB2 H 1 2.08 0.03 . 2 . . . . 103 ASP HB2 . 16127 1 482 . 1 1 43 43 ASP HB3 H 1 2.82 0.03 . 2 . . . . 103 ASP HB3 . 16127 1 483 . 1 1 43 43 ASP C C 13 177.60 0.20 . 1 . . . . 103 ASP C . 16127 1 484 . 1 1 43 43 ASP CA C 13 53.74 0.20 . 1 . . . . 103 ASP CA . 16127 1 485 . 1 1 43 43 ASP CB C 13 41.88 0.20 . 1 . . . . 103 ASP CB . 16127 1 486 . 1 1 43 43 ASP N N 15 127.21 0.30 . 1 . . . . 103 ASP N . 16127 1 487 . 1 1 44 44 LYS H H 1 8.91 0.03 . 1 . . . . 104 LYS H . 16127 1 488 . 1 1 44 44 LYS HA H 1 3.92 0.03 . 1 . . . . 104 LYS HA . 16127 1 489 . 1 1 44 44 LYS HB2 H 1 1.77 0.03 . 2 . . . . 104 LYS HB2 . 16127 1 490 . 1 1 44 44 LYS HB3 H 1 1.88 0.03 . 2 . . . . 104 LYS HB3 . 16127 1 491 . 1 1 44 44 LYS HD3 H 1 1.66 0.03 . 2 . . . . 104 LYS HD3 . 16127 1 492 . 1 1 44 44 LYS HE3 H 1 2.98 0.03 . 2 . . . . 104 LYS HE3 . 16127 1 493 . 1 1 44 44 LYS HG2 H 1 1.40 0.03 . 2 . . . . 104 LYS HG2 . 16127 1 494 . 1 1 44 44 LYS HG3 H 1 1.50 0.03 . 2 . . . . 104 LYS HG3 . 16127 1 495 . 1 1 44 44 LYS C C 13 177.34 0.20 . 1 . . . . 104 LYS C . 16127 1 496 . 1 1 44 44 LYS CA C 13 58.93 0.20 . 1 . . . . 104 LYS CA . 16127 1 497 . 1 1 44 44 LYS CB C 13 32.00 0.20 . 1 . . . . 104 LYS CB . 16127 1 498 . 1 1 44 44 LYS CD C 13 29.04 0.20 . 1 . . . . 104 LYS CD . 16127 1 499 . 1 1 44 44 LYS CE C 13 41.98 0.20 . 1 . . . . 104 LYS CE . 16127 1 500 . 1 1 44 44 LYS CG C 13 25.65 0.20 . 1 . . . . 104 LYS CG . 16127 1 501 . 1 1 44 44 LYS N N 15 129.08 0.30 . 1 . . . . 104 LYS N . 16127 1 502 . 1 1 45 45 SER H H 1 8.74 0.03 . 1 . . . . 105 SER H . 16127 1 503 . 1 1 45 45 SER HA H 1 4.37 0.03 . 1 . . . . 105 SER HA . 16127 1 504 . 1 1 45 45 SER HB2 H 1 3.84 0.03 . 2 . . . . 105 SER HB2 . 16127 1 505 . 1 1 45 45 SER HB3 H 1 3.90 0.03 . 2 . . . . 105 SER HB3 . 16127 1 506 . 1 1 45 45 SER C C 13 175.04 0.20 . 1 . . . . 105 SER C . 16127 1 507 . 1 1 45 45 SER CA C 13 59.15 0.20 . 1 . . . . 105 SER CA . 16127 1 508 . 1 1 45 45 SER CB C 13 63.83 0.20 . 1 . . . . 105 SER CB . 16127 1 509 . 1 1 45 45 SER N N 15 115.27 0.30 . 1 . . . . 105 SER N . 16127 1 510 . 1 1 46 46 ALA H H 1 7.43 0.03 . 1 . . . . 106 ALA H . 16127 1 511 . 1 1 46 46 ALA HA H 1 4.15 0.03 . 1 . . . . 106 ALA HA . 16127 1 512 . 1 1 46 46 ALA HB1 H 1 1.33 0.03 . 1 . . . . 106 ALA HB . 16127 1 513 . 1 1 46 46 ALA HB2 H 1 1.33 0.03 . 1 . . . . 106 ALA HB . 16127 1 514 . 1 1 46 46 ALA HB3 H 1 1.33 0.03 . 1 . . . . 106 ALA HB . 16127 1 515 . 1 1 46 46 ALA CA C 13 53.30 0.20 . 1 . . . . 106 ALA CA . 16127 1 516 . 1 1 46 46 ALA CB C 13 19.19 0.20 . 1 . . . . 106 ALA CB . 16127 1 517 . 1 1 46 46 ALA N N 15 125.12 0.30 . 1 . . . . 106 ALA N . 16127 1 518 . 1 1 47 47 ARG HA H 1 4.28 0.03 . 1 . . . . 107 ARG HA . 16127 1 519 . 1 1 47 47 ARG HB2 H 1 1.92 0.03 . 2 . . . . 107 ARG HB2 . 16127 1 520 . 1 1 47 47 ARG HB3 H 1 2.15 0.03 . 2 . . . . 107 ARG HB3 . 16127 1 521 . 1 1 47 47 ARG HD3 H 1 3.21 0.03 . 2 . . . . 107 ARG HD3 . 16127 1 522 . 1 1 47 47 ARG HG2 H 1 1.61 0.03 . 2 . . . . 107 ARG HG2 . 16127 1 523 . 1 1 47 47 ARG HG3 H 1 1.71 0.03 . 2 . . . . 107 ARG HG3 . 16127 1 524 . 1 1 47 47 ARG CD C 13 43.28 0.20 . 1 . . . . 107 ARG CD . 16127 1 525 . 1 1 47 47 ARG CG C 13 27.53 0.20 . 1 . . . . 107 ARG CG . 16127 1 526 . 1 1 48 48 HIS HA H 1 4.65 0.03 . 1 . . . . 108 HIS HA . 16127 1 527 . 1 1 48 48 HIS HB2 H 1 3.15 0.03 . 2 . . . . 108 HIS HB2 . 16127 1 528 . 1 1 48 48 HIS HB3 H 1 3.21 0.03 . 2 . . . . 108 HIS HB3 . 16127 1 529 . 1 1 48 48 HIS HD2 H 1 7.00 0.03 . 1 . . . . 108 HIS HD2 . 16127 1 530 . 1 1 48 48 HIS HE1 H 1 8.06 0.03 . 1 . . . . 108 HIS HE1 . 16127 1 531 . 1 1 48 48 HIS C C 13 173.16 0.20 . 1 . . . . 108 HIS C . 16127 1 532 . 1 1 48 48 HIS CA C 13 54.99 0.20 . 1 . . . . 108 HIS CA . 16127 1 533 . 1 1 48 48 HIS CB C 13 33.40 0.20 . 1 . . . . 108 HIS CB . 16127 1 534 . 1 1 48 48 HIS CD2 C 13 117.46 0.20 . 1 . . . . 108 HIS CD2 . 16127 1 535 . 1 1 48 48 HIS CE1 C 13 140.40 0.20 . 1 . . . . 108 HIS CE1 . 16127 1 536 . 1 1 48 48 HIS ND1 N 15 137.13 0.30 . 1 . . . . 108 HIS ND1 . 16127 1 537 . 1 1 48 48 HIS NE2 N 15 164.74 0.30 . 1 . . . . 108 HIS NE2 . 16127 1 538 . 1 1 49 49 LEU H H 1 8.03 0.03 . 1 . . . . 109 LEU H . 16127 1 539 . 1 1 49 49 LEU HA H 1 5.04 0.03 . 1 . . . . 109 LEU HA . 16127 1 540 . 1 1 49 49 LEU HB2 H 1 1.28 0.03 . 2 . . . . 109 LEU HB2 . 16127 1 541 . 1 1 49 49 LEU HB3 H 1 1.80 0.03 . 2 . . . . 109 LEU HB3 . 16127 1 542 . 1 1 49 49 LEU HD11 H 1 0.82 0.03 . 2 . . . . 109 LEU HD1 . 16127 1 543 . 1 1 49 49 LEU HD12 H 1 0.82 0.03 . 2 . . . . 109 LEU HD1 . 16127 1 544 . 1 1 49 49 LEU HD13 H 1 0.82 0.03 . 2 . . . . 109 LEU HD1 . 16127 1 545 . 1 1 49 49 LEU HD21 H 1 0.85 0.03 . 2 . . . . 109 LEU HD2 . 16127 1 546 . 1 1 49 49 LEU HD22 H 1 0.85 0.03 . 2 . . . . 109 LEU HD2 . 16127 1 547 . 1 1 49 49 LEU HD23 H 1 0.85 0.03 . 2 . . . . 109 LEU HD2 . 16127 1 548 . 1 1 49 49 LEU HG H 1 1.39 0.03 . 1 . . . . 109 LEU HG . 16127 1 549 . 1 1 49 49 LEU CA C 13 54.48 0.20 . 1 . . . . 109 LEU CA . 16127 1 550 . 1 1 49 49 LEU CB C 13 43.01 0.20 . 1 . . . . 109 LEU CB . 16127 1 551 . 1 1 49 49 LEU CD1 C 13 25.74 0.20 . 2 . . . . 109 LEU CD1 . 16127 1 552 . 1 1 49 49 LEU CD2 C 13 24.35 0.20 . 2 . . . . 109 LEU CD2 . 16127 1 553 . 1 1 49 49 LEU CG C 13 27.13 0.20 . 1 . . . . 109 LEU CG . 16127 1 554 . 1 1 49 49 LEU N N 15 120.13 0.30 . 1 . . . . 109 LEU N . 16127 1 555 . 1 1 50 50 TYR HA H 1 5.02 0.03 . 1 . . . . 110 TYR HA . 16127 1 556 . 1 1 50 50 TYR HB2 H 1 2.84 0.03 . 2 . . . . 110 TYR HB2 . 16127 1 557 . 1 1 50 50 TYR HB3 H 1 3.21 0.03 . 2 . . . . 110 TYR HB3 . 16127 1 558 . 1 1 50 50 TYR HD1 H 1 7.05 0.03 . 3 . . . . 110 TYR HD1 . 16127 1 559 . 1 1 50 50 TYR HE1 H 1 6.79 0.03 . 3 . . . . 110 TYR HE1 . 16127 1 560 . 1 1 50 50 TYR C C 13 176.96 0.20 . 1 . . . . 110 TYR C . 16127 1 561 . 1 1 50 50 TYR CA C 13 60.34 0.20 . 1 . . . . 110 TYR CA . 16127 1 562 . 1 1 50 50 TYR CB C 13 39.21 0.20 . 1 . . . . 110 TYR CB . 16127 1 563 . 1 1 50 50 TYR CD1 C 13 133.69 0.20 . 1 . . . . 110 TYR CD1 . 16127 1 564 . 1 1 50 50 TYR CE1 C 13 117.71 0.20 . 1 . . . . 110 TYR CE1 . 16127 1 565 . 1 1 51 51 ILE H H 1 8.51 0.03 . 1 . . . . 111 ILE H . 16127 1 566 . 1 1 51 51 ILE HA H 1 5.96 0.03 . 1 . . . . 111 ILE HA . 16127 1 567 . 1 1 51 51 ILE HB H 1 2.05 0.03 . 1 . . . . 111 ILE HB . 16127 1 568 . 1 1 51 51 ILE HD11 H 1 0.65 0.03 . 1 . . . . 111 ILE HD1 . 16127 1 569 . 1 1 51 51 ILE HD12 H 1 0.65 0.03 . 1 . . . . 111 ILE HD1 . 16127 1 570 . 1 1 51 51 ILE HD13 H 1 0.65 0.03 . 1 . . . . 111 ILE HD1 . 16127 1 571 . 1 1 51 51 ILE HG12 H 1 0.89 0.03 . 2 . . . . 111 ILE HG12 . 16127 1 572 . 1 1 51 51 ILE HG13 H 1 1.52 0.03 . 2 . . . . 111 ILE HG13 . 16127 1 573 . 1 1 51 51 ILE HG21 H 1 0.92 0.03 . 1 . . . . 111 ILE HG2 . 16127 1 574 . 1 1 51 51 ILE HG22 H 1 0.92 0.03 . 1 . . . . 111 ILE HG2 . 16127 1 575 . 1 1 51 51 ILE HG23 H 1 0.92 0.03 . 1 . . . . 111 ILE HG2 . 16127 1 576 . 1 1 51 51 ILE C C 13 177.90 0.20 . 1 . . . . 111 ILE C . 16127 1 577 . 1 1 51 51 ILE CA C 13 58.10 0.20 . 1 . . . . 111 ILE CA . 16127 1 578 . 1 1 51 51 ILE CB C 13 41.37 0.20 . 1 . . . . 111 ILE CB . 16127 1 579 . 1 1 51 51 ILE CD1 C 13 13.59 0.20 . 1 . . . . 111 ILE CD1 . 16127 1 580 . 1 1 51 51 ILE CG1 C 13 25.28 0.20 . 1 . . . . 111 ILE CG1 . 16127 1 581 . 1 1 51 51 ILE CG2 C 13 18.69 0.20 . 1 . . . . 111 ILE CG2 . 16127 1 582 . 1 1 51 51 ILE N N 15 115.05 0.30 . 1 . . . . 111 ILE N . 16127 1 583 . 1 1 52 52 CYS H H 1 9.83 0.03 . 1 . . . . 112 CYS H . 16127 1 584 . 1 1 52 52 CYS HA H 1 5.00 0.03 . 1 . . . . 112 CYS HA . 16127 1 585 . 1 1 52 52 CYS HB2 H 1 2.79 0.03 . 2 . . . . 112 CYS HB2 . 16127 1 586 . 1 1 52 52 CYS HB3 H 1 3.38 0.03 . 2 . . . . 112 CYS HB3 . 16127 1 587 . 1 1 52 52 CYS C C 13 175.42 0.20 . 1 . . . . 112 CYS C . 16127 1 588 . 1 1 52 52 CYS CA C 13 57.77 0.20 . 1 . . . . 112 CYS CA . 16127 1 589 . 1 1 52 52 CYS CB C 13 33.12 0.20 . 1 . . . . 112 CYS CB . 16127 1 590 . 1 1 52 52 CYS N N 15 125.82 0.30 . 1 . . . . 112 CYS N . 16127 1 591 . 1 1 53 53 ASP H H 1 9.00 0.03 . 1 . . . . 113 ASP H . 16127 1 592 . 1 1 53 53 ASP HA H 1 4.51 0.03 . 1 . . . . 113 ASP HA . 16127 1 593 . 1 1 53 53 ASP HB3 H 1 2.63 0.03 . 2 . . . . 113 ASP HB3 . 16127 1 594 . 1 1 53 53 ASP C C 13 178.14 0.20 . 1 . . . . 113 ASP C . 16127 1 595 . 1 1 53 53 ASP CA C 13 57.33 0.20 . 1 . . . . 113 ASP CA . 16127 1 596 . 1 1 53 53 ASP CB C 13 39.73 0.20 . 1 . . . . 113 ASP CB . 16127 1 597 . 1 1 53 53 ASP N N 15 121.96 0.30 . 1 . . . . 113 ASP N . 16127 1 598 . 1 1 54 54 TYR H H 1 8.22 0.03 . 1 . . . . 114 TYR H . 16127 1 599 . 1 1 54 54 TYR HA H 1 4.10 0.03 . 1 . . . . 114 TYR HA . 16127 1 600 . 1 1 54 54 TYR HB2 H 1 2.98 0.03 . 2 . . . . 114 TYR HB2 . 16127 1 601 . 1 1 54 54 TYR HB3 H 1 3.54 0.03 . 2 . . . . 114 TYR HB3 . 16127 1 602 . 1 1 54 54 TYR HD1 H 1 6.31 0.03 . 3 . . . . 114 TYR HD1 . 16127 1 603 . 1 1 54 54 TYR HE1 H 1 6.50 0.03 . 3 . . . . 114 TYR HE1 . 16127 1 604 . 1 1 54 54 TYR C C 13 178.41 0.20 . 1 . . . . 114 TYR C . 16127 1 605 . 1 1 54 54 TYR CA C 13 61.97 0.20 . 1 . . . . 114 TYR CA . 16127 1 606 . 1 1 54 54 TYR CB C 13 37.15 0.20 . 1 . . . . 114 TYR CB . 16127 1 607 . 1 1 54 54 TYR CD1 C 13 132.65 0.20 . 1 . . . . 114 TYR CD1 . 16127 1 608 . 1 1 54 54 TYR CE1 C 13 117.59 0.20 . 1 . . . . 114 TYR CE1 . 16127 1 609 . 1 1 54 54 TYR N N 15 123.51 0.30 . 1 . . . . 114 TYR N . 16127 1 610 . 1 1 55 55 HIS H H 1 10.09 0.03 . 1 . . . . 115 HIS H . 16127 1 611 . 1 1 55 55 HIS HA H 1 4.04 0.03 . 1 . . . . 115 HIS HA . 16127 1 612 . 1 1 55 55 HIS HB2 H 1 2.69 0.03 . 2 . . . . 115 HIS HB2 . 16127 1 613 . 1 1 55 55 HIS HB3 H 1 3.75 0.03 . 2 . . . . 115 HIS HB3 . 16127 1 614 . 1 1 55 55 HIS HD2 H 1 6.86 0.03 . 1 . . . . 115 HIS HD2 . 16127 1 615 . 1 1 55 55 HIS HE1 H 1 8.31 0.03 . 1 . . . . 115 HIS HE1 . 16127 1 616 . 1 1 55 55 HIS C C 13 177.24 0.20 . 1 . . . . 115 HIS C . 16127 1 617 . 1 1 55 55 HIS CA C 13 63.87 0.20 . 1 . . . . 115 HIS CA . 16127 1 618 . 1 1 55 55 HIS CB C 13 29.60 0.20 . 1 . . . . 115 HIS CB . 16127 1 619 . 1 1 55 55 HIS CD2 C 13 117.68 0.20 . 1 . . . . 115 HIS CD2 . 16127 1 620 . 1 1 55 55 HIS CE1 C 13 139.76 0.20 . 1 . . . . 115 HIS CE1 . 16127 1 621 . 1 1 55 55 HIS N N 15 124.83 0.30 . 1 . . . . 115 HIS N . 16127 1 622 . 1 1 55 55 HIS ND1 N 15 223.47 0.30 . 1 . . . . 115 HIS ND1 . 16127 1 623 . 1 1 55 55 HIS NE2 N 15 172.13 0.30 . 1 . . . . 115 HIS NE2 . 16127 1 624 . 1 1 56 56 LYS H H 1 8.83 0.03 . 1 . . . . 116 LYS H . 16127 1 625 . 1 1 56 56 LYS HA H 1 3.72 0.03 . 1 . . . . 116 LYS HA . 16127 1 626 . 1 1 56 56 LYS HB2 H 1 1.89 0.03 . 2 . . . . 116 LYS HB2 . 16127 1 627 . 1 1 56 56 LYS HB3 H 1 2.08 0.03 . 2 . . . . 116 LYS HB3 . 16127 1 628 . 1 1 56 56 LYS HD2 H 1 1.64 0.03 . 2 . . . . 116 LYS HD2 . 16127 1 629 . 1 1 56 56 LYS HD3 H 1 1.78 0.03 . 2 . . . . 116 LYS HD3 . 16127 1 630 . 1 1 56 56 LYS HE3 H 1 2.91 0.03 . 2 . . . . 116 LYS HE3 . 16127 1 631 . 1 1 56 56 LYS HG2 H 1 1.17 0.03 . 2 . . . . 116 LYS HG2 . 16127 1 632 . 1 1 56 56 LYS HG3 H 1 1.41 0.03 . 2 . . . . 116 LYS HG3 . 16127 1 633 . 1 1 56 56 LYS C C 13 178.14 0.20 . 1 . . . . 116 LYS C . 16127 1 634 . 1 1 56 56 LYS CA C 13 60.59 0.20 . 1 . . . . 116 LYS CA . 16127 1 635 . 1 1 56 56 LYS CB C 13 32.23 0.20 . 1 . . . . 116 LYS CB . 16127 1 636 . 1 1 56 56 LYS CD C 13 29.45 0.20 . 1 . . . . 116 LYS CD . 16127 1 637 . 1 1 56 56 LYS CE C 13 41.93 0.20 . 1 . . . . 116 LYS CE . 16127 1 638 . 1 1 56 56 LYS CG C 13 24.11 0.20 . 1 . . . . 116 LYS CG . 16127 1 639 . 1 1 56 56 LYS N N 15 123.34 0.30 . 1 . . . . 116 LYS N . 16127 1 640 . 1 1 57 57 ASN H H 1 8.14 0.03 . 1 . . . . 117 ASN H . 16127 1 641 . 1 1 57 57 ASN HA H 1 4.34 0.03 . 1 . . . . 117 ASN HA . 16127 1 642 . 1 1 57 57 ASN HB2 H 1 2.65 0.03 . 2 . . . . 117 ASN HB2 . 16127 1 643 . 1 1 57 57 ASN HB3 H 1 2.74 0.03 . 2 . . . . 117 ASN HB3 . 16127 1 644 . 1 1 57 57 ASN HD21 H 1 7.46 0.03 . 2 . . . . 117 ASN HD21 . 16127 1 645 . 1 1 57 57 ASN HD22 H 1 6.92 0.03 . 2 . . . . 117 ASN HD22 . 16127 1 646 . 1 1 57 57 ASN C C 13 177.57 0.20 . 1 . . . . 117 ASN C . 16127 1 647 . 1 1 57 57 ASN CA C 13 55.89 0.20 . 1 . . . . 117 ASN CA . 16127 1 648 . 1 1 57 57 ASN CB C 13 38.07 0.20 . 1 . . . . 117 ASN CB . 16127 1 649 . 1 1 57 57 ASN N N 15 116.92 0.30 . 1 . . . . 117 ASN N . 16127 1 650 . 1 1 57 57 ASN ND2 N 15 113.76 0.30 . 1 . . . . 117 ASN ND2 . 16127 1 651 . 1 1 58 58 LEU H H 1 7.89 0.03 . 1 . . . . 118 LEU H . 16127 1 652 . 1 1 58 58 LEU HA H 1 3.93 0.03 . 1 . . . . 118 LEU HA . 16127 1 653 . 1 1 58 58 LEU HB2 H 1 1.28 0.03 . 2 . . . . 118 LEU HB2 . 16127 1 654 . 1 1 58 58 LEU HB3 H 1 1.58 0.03 . 2 . . . . 118 LEU HB3 . 16127 1 655 . 1 1 58 58 LEU HD11 H 1 0.83 0.03 . 2 . . . . 118 LEU HD1 . 16127 1 656 . 1 1 58 58 LEU HD12 H 1 0.83 0.03 . 2 . . . . 118 LEU HD1 . 16127 1 657 . 1 1 58 58 LEU HD13 H 1 0.83 0.03 . 2 . . . . 118 LEU HD1 . 16127 1 658 . 1 1 58 58 LEU HD21 H 1 0.78 0.03 . 2 . . . . 118 LEU HD2 . 16127 1 659 . 1 1 58 58 LEU HD22 H 1 0.78 0.03 . 2 . . . . 118 LEU HD2 . 16127 1 660 . 1 1 58 58 LEU HD23 H 1 0.78 0.03 . 2 . . . . 118 LEU HD2 . 16127 1 661 . 1 1 58 58 LEU HG H 1 1.45 0.03 . 1 . . . . 118 LEU HG . 16127 1 662 . 1 1 58 58 LEU C C 13 179.40 0.20 . 1 . . . . 118 LEU C . 16127 1 663 . 1 1 58 58 LEU CA C 13 58.42 0.20 . 1 . . . . 118 LEU CA . 16127 1 664 . 1 1 58 58 LEU CB C 13 43.17 0.20 . 1 . . . . 118 LEU CB . 16127 1 665 . 1 1 58 58 LEU CD1 C 13 25.79 0.20 . 2 . . . . 118 LEU CD1 . 16127 1 666 . 1 1 58 58 LEU CD2 C 13 24.64 0.20 . 2 . . . . 118 LEU CD2 . 16127 1 667 . 1 1 58 58 LEU CG C 13 27.40 0.20 . 1 . . . . 118 LEU CG . 16127 1 668 . 1 1 58 58 LEU N N 15 123.59 0.30 . 1 . . . . 118 LEU N . 16127 1 669 . 1 1 59 59 ILE H H 1 8.36 0.03 . 1 . . . . 119 ILE H . 16127 1 670 . 1 1 59 59 ILE HA H 1 3.47 0.03 . 1 . . . . 119 ILE HA . 16127 1 671 . 1 1 59 59 ILE HB H 1 1.87 0.03 . 1 . . . . 119 ILE HB . 16127 1 672 . 1 1 59 59 ILE HD11 H 1 0.78 0.03 . 1 . . . . 119 ILE HD1 . 16127 1 673 . 1 1 59 59 ILE HD12 H 1 0.78 0.03 . 1 . . . . 119 ILE HD1 . 16127 1 674 . 1 1 59 59 ILE HD13 H 1 0.78 0.03 . 1 . . . . 119 ILE HD1 . 16127 1 675 . 1 1 59 59 ILE HG12 H 1 0.87 0.03 . 2 . . . . 119 ILE HG12 . 16127 1 676 . 1 1 59 59 ILE HG13 H 1 1.79 0.03 . 2 . . . . 119 ILE HG13 . 16127 1 677 . 1 1 59 59 ILE HG21 H 1 0.87 0.03 . 1 . . . . 119 ILE HG2 . 16127 1 678 . 1 1 59 59 ILE HG22 H 1 0.87 0.03 . 1 . . . . 119 ILE HG2 . 16127 1 679 . 1 1 59 59 ILE HG23 H 1 0.87 0.03 . 1 . . . . 119 ILE HG2 . 16127 1 680 . 1 1 59 59 ILE C C 13 177.29 0.20 . 1 . . . . 119 ILE C . 16127 1 681 . 1 1 59 59 ILE CA C 13 65.26 0.20 . 1 . . . . 119 ILE CA . 16127 1 682 . 1 1 59 59 ILE CB C 13 38.33 0.20 . 1 . . . . 119 ILE CB . 16127 1 683 . 1 1 59 59 ILE CD1 C 13 14.26 0.20 . 1 . . . . 119 ILE CD1 . 16127 1 684 . 1 1 59 59 ILE CG1 C 13 30.21 0.20 . 1 . . . . 119 ILE CG1 . 16127 1 685 . 1 1 59 59 ILE CG2 C 13 18.28 0.20 . 1 . . . . 119 ILE CG2 . 16127 1 686 . 1 1 59 59 ILE N N 15 118.63 0.30 . 1 . . . . 119 ILE N . 16127 1 687 . 1 1 60 60 GLN H H 1 7.83 0.03 . 1 . . . . 120 GLN H . 16127 1 688 . 1 1 60 60 GLN HA H 1 4.13 0.03 . 1 . . . . 120 GLN HA . 16127 1 689 . 1 1 60 60 GLN HB3 H 1 2.11 0.03 . 2 . . . . 120 GLN HB3 . 16127 1 690 . 1 1 60 60 GLN HE21 H 1 7.35 0.03 . 2 . . . . 120 GLN HE21 . 16127 1 691 . 1 1 60 60 GLN HE22 H 1 6.80 0.03 . 2 . . . . 120 GLN HE22 . 16127 1 692 . 1 1 60 60 GLN HG2 H 1 2.35 0.03 . 2 . . . . 120 GLN HG2 . 16127 1 693 . 1 1 60 60 GLN HG3 H 1 2.49 0.03 . 2 . . . . 120 GLN HG3 . 16127 1 694 . 1 1 60 60 GLN C C 13 177.24 0.20 . 1 . . . . 120 GLN C . 16127 1 695 . 1 1 60 60 GLN CA C 13 57.75 0.20 . 1 . . . . 120 GLN CA . 16127 1 696 . 1 1 60 60 GLN CB C 13 28.91 0.20 . 1 . . . . 120 GLN CB . 16127 1 697 . 1 1 60 60 GLN CG C 13 34.43 0.20 . 1 . . . . 120 GLN CG . 16127 1 698 . 1 1 60 60 GLN N N 15 117.84 0.30 . 1 . . . . 120 GLN N . 16127 1 699 . 1 1 60 60 GLN NE2 N 15 111.62 0.30 . 1 . . . . 120 GLN NE2 . 16127 1 700 . 1 1 61 61 SER H H 1 7.79 0.03 . 1 . . . . 121 SER H . 16127 1 701 . 1 1 61 61 SER HA H 1 4.30 0.03 . 1 . . . . 121 SER HA . 16127 1 702 . 1 1 61 61 SER HB3 H 1 3.94 0.03 . 2 . . . . 121 SER HB3 . 16127 1 703 . 1 1 61 61 SER C C 13 175.65 0.20 . 1 . . . . 121 SER C . 16127 1 704 . 1 1 61 61 SER CA C 13 60.09 0.20 . 1 . . . . 121 SER CA . 16127 1 705 . 1 1 61 61 SER CB C 13 63.57 0.20 . 1 . . . . 121 SER CB . 16127 1 706 . 1 1 61 61 SER N N 15 115.46 0.30 . 1 . . . . 121 SER N . 16127 1 707 . 1 1 62 62 VAL H H 1 8.02 0.03 . 1 . . . . 122 VAL H . 16127 1 708 . 1 1 62 62 VAL HA H 1 4.02 0.03 . 1 . . . . 122 VAL HA . 16127 1 709 . 1 1 62 62 VAL HB H 1 2.15 0.03 . 1 . . . . 122 VAL HB . 16127 1 710 . 1 1 62 62 VAL HG11 H 1 0.92 0.03 . 1 . . . . 122 VAL HG1 . 16127 1 711 . 1 1 62 62 VAL HG12 H 1 0.92 0.03 . 1 . . . . 122 VAL HG1 . 16127 1 712 . 1 1 62 62 VAL HG13 H 1 0.92 0.03 . 1 . . . . 122 VAL HG1 . 16127 1 713 . 1 1 62 62 VAL HG21 H 1 0.96 0.03 . 1 . . . . 122 VAL HG2 . 16127 1 714 . 1 1 62 62 VAL HG22 H 1 0.96 0.03 . 1 . . . . 122 VAL HG2 . 16127 1 715 . 1 1 62 62 VAL HG23 H 1 0.96 0.03 . 1 . . . . 122 VAL HG2 . 16127 1 716 . 1 1 62 62 VAL C C 13 176.96 0.20 . 1 . . . . 122 VAL C . 16127 1 717 . 1 1 62 62 VAL CA C 13 63.60 0.20 . 1 . . . . 122 VAL CA . 16127 1 718 . 1 1 62 62 VAL CB C 13 32.30 0.20 . 1 . . . . 122 VAL CB . 16127 1 719 . 1 1 62 62 VAL CG1 C 13 21.55 0.20 . 1 . . . . 122 VAL CG1 . 16127 1 720 . 1 1 62 62 VAL CG2 C 13 21.20 0.20 . 1 . . . . 122 VAL CG2 . 16127 1 721 . 1 1 62 62 VAL N N 15 121.60 0.30 . 1 . . . . 122 VAL N . 16127 1 722 . 1 1 63 63 ARG H H 1 8.13 0.03 . 1 . . . . 123 ARG H . 16127 1 723 . 1 1 63 63 ARG HA H 1 4.19 0.03 . 1 . . . . 123 ARG HA . 16127 1 724 . 1 1 63 63 ARG HB2 H 1 1.76 0.03 . 2 . . . . 123 ARG HB2 . 16127 1 725 . 1 1 63 63 ARG HB3 H 1 1.83 0.03 . 2 . . . . 123 ARG HB3 . 16127 1 726 . 1 1 63 63 ARG HD3 H 1 3.14 0.03 . 2 . . . . 123 ARG HD3 . 16127 1 727 . 1 1 63 63 ARG HG2 H 1 1.57 0.03 . 2 . . . . 123 ARG HG2 . 16127 1 728 . 1 1 63 63 ARG HG3 H 1 1.69 0.03 . 2 . . . . 123 ARG HG3 . 16127 1 729 . 1 1 63 63 ARG C C 13 176.49 0.20 . 1 . . . . 123 ARG C . 16127 1 730 . 1 1 63 63 ARG CA C 13 57.07 0.20 . 1 . . . . 123 ARG CA . 16127 1 731 . 1 1 63 63 ARG CB C 13 30.78 0.20 . 1 . . . . 123 ARG CB . 16127 1 732 . 1 1 63 63 ARG CD C 13 43.58 0.20 . 1 . . . . 123 ARG CD . 16127 1 733 . 1 1 63 63 ARG CG C 13 27.40 0.20 . 1 . . . . 123 ARG CG . 16127 1 734 . 1 1 63 63 ARG N N 15 122.77 0.30 . 1 . . . . 123 ARG N . 16127 1 735 . 1 1 64 64 ASN H H 1 8.21 0.03 . 1 . . . . 124 ASN H . 16127 1 736 . 1 1 64 64 ASN HA H 1 4.65 0.03 . 1 . . . . 124 ASN HA . 16127 1 737 . 1 1 64 64 ASN HB2 H 1 2.74 0.03 . 2 . . . . 124 ASN HB2 . 16127 1 738 . 1 1 64 64 ASN HB3 H 1 2.81 0.03 . 2 . . . . 124 ASN HB3 . 16127 1 739 . 1 1 64 64 ASN HD21 H 1 7.56 0.03 . 2 . . . . 124 ASN HD21 . 16127 1 740 . 1 1 64 64 ASN HD22 H 1 6.87 0.03 . 2 . . . . 124 ASN HD22 . 16127 1 741 . 1 1 64 64 ASN C C 13 175.31 0.20 . 1 . . . . 124 ASN C . 16127 1 742 . 1 1 64 64 ASN CA C 13 53.50 0.20 . 1 . . . . 124 ASN CA . 16127 1 743 . 1 1 64 64 ASN CB C 13 38.84 0.20 . 1 . . . . 124 ASN CB . 16127 1 744 . 1 1 64 64 ASN N N 15 119.35 0.30 . 1 . . . . 124 ASN N . 16127 1 745 . 1 1 64 64 ASN ND2 N 15 113.05 0.30 . 1 . . . . 124 ASN ND2 . 16127 1 746 . 1 1 65 65 ARG H H 1 8.10 0.03 . 1 . . . . 125 ARG H . 16127 1 747 . 1 1 65 65 ARG HA H 1 4.27 0.03 . 1 . . . . 125 ARG HA . 16127 1 748 . 1 1 65 65 ARG HB2 H 1 1.77 0.03 . 2 . . . . 125 ARG HB2 . 16127 1 749 . 1 1 65 65 ARG HB3 H 1 1.85 0.03 . 2 . . . . 125 ARG HB3 . 16127 1 750 . 1 1 65 65 ARG HD3 H 1 3.17 0.03 . 2 . . . . 125 ARG HD3 . 16127 1 751 . 1 1 65 65 ARG HG3 H 1 1.64 0.03 . 2 . . . . 125 ARG HG3 . 16127 1 752 . 1 1 65 65 ARG C C 13 176.31 0.20 . 1 . . . . 125 ARG C . 16127 1 753 . 1 1 65 65 ARG CA C 13 56.58 0.20 . 1 . . . . 125 ARG CA . 16127 1 754 . 1 1 65 65 ARG CB C 13 30.81 0.20 . 1 . . . . 125 ARG CB . 16127 1 755 . 1 1 65 65 ARG CD C 13 43.57 0.20 . 1 . . . . 125 ARG CD . 16127 1 756 . 1 1 65 65 ARG CG C 13 27.20 0.20 . 1 . . . . 125 ARG CG . 16127 1 757 . 1 1 65 65 ARG N N 15 122.23 0.30 . 1 . . . . 125 ARG N . 16127 1 758 . 1 1 66 66 ARG H H 1 8.26 0.03 . 1 . . . . 126 ARG H . 16127 1 759 . 1 1 66 66 ARG HA H 1 4.27 0.03 . 1 . . . . 126 ARG HA . 16127 1 760 . 1 1 66 66 ARG HB2 H 1 1.74 0.03 . 2 . . . . 126 ARG HB2 . 16127 1 761 . 1 1 66 66 ARG HB3 H 1 1.80 0.03 . 2 . . . . 126 ARG HB3 . 16127 1 762 . 1 1 66 66 ARG HD3 H 1 3.17 0.03 . 2 . . . . 126 ARG HD3 . 16127 1 763 . 1 1 66 66 ARG HG3 H 1 1.61 0.03 . 2 . . . . 126 ARG HG3 . 16127 1 764 . 1 1 66 66 ARG C C 13 176.21 0.20 . 1 . . . . 126 ARG C . 16127 1 765 . 1 1 66 66 ARG CA C 13 56.19 0.20 . 1 . . . . 126 ARG CA . 16127 1 766 . 1 1 66 66 ARG CB C 13 30.81 0.20 . 1 . . . . 126 ARG CB . 16127 1 767 . 1 1 66 66 ARG CD C 13 43.42 0.20 . 1 . . . . 126 ARG CD . 16127 1 768 . 1 1 66 66 ARG CG C 13 27.18 0.20 . 1 . . . . 126 ARG CG . 16127 1 769 . 1 1 66 66 ARG N N 15 122.76 0.30 . 1 . . . . 126 ARG N . 16127 1 770 . 1 1 67 67 LYS H H 1 8.27 0.03 . 1 . . . . 127 LYS H . 16127 1 771 . 1 1 67 67 LYS HA H 1 4.26 0.03 . 1 . . . . 127 LYS HA . 16127 1 772 . 1 1 67 67 LYS HB3 H 1 1.76 0.03 . 2 . . . . 127 LYS HB3 . 16127 1 773 . 1 1 67 67 LYS HD3 H 1 1.66 0.03 . 2 . . . . 127 LYS HD3 . 16127 1 774 . 1 1 67 67 LYS HE3 H 1 2.96 0.03 . 2 . . . . 127 LYS HE3 . 16127 1 775 . 1 1 67 67 LYS HG3 H 1 1.39 0.03 . 2 . . . . 127 LYS HG3 . 16127 1 776 . 1 1 67 67 LYS C C 13 176.45 0.20 . 1 . . . . 127 LYS C . 16127 1 777 . 1 1 67 67 LYS CA C 13 56.32 0.20 . 1 . . . . 127 LYS CA . 16127 1 778 . 1 1 67 67 LYS CB C 13 33.18 0.20 . 1 . . . . 127 LYS CB . 16127 1 779 . 1 1 67 67 LYS CD C 13 29.25 0.20 . 1 . . . . 127 LYS CD . 16127 1 780 . 1 1 67 67 LYS CE C 13 42.17 0.20 . 1 . . . . 127 LYS CE . 16127 1 781 . 1 1 67 67 LYS CG C 13 24.82 0.20 . 1 . . . . 127 LYS CG . 16127 1 782 . 1 1 67 67 LYS N N 15 123.62 0.30 . 1 . . . . 127 LYS N . 16127 1 783 . 1 1 68 68 ARG H H 1 8.34 0.03 . 1 . . . . 128 ARG H . 16127 1 784 . 1 1 68 68 ARG HA H 1 4.27 0.03 . 1 . . . . 128 ARG HA . 16127 1 785 . 1 1 68 68 ARG HB3 H 1 1.76 0.03 . 2 . . . . 128 ARG HB3 . 16127 1 786 . 1 1 68 68 ARG HD3 H 1 3.16 0.03 . 2 . . . . 128 ARG HD3 . 16127 1 787 . 1 1 68 68 ARG HG3 H 1 1.59 0.03 . 2 . . . . 128 ARG HG3 . 16127 1 788 . 1 1 68 68 ARG C C 13 176.25 0.20 . 1 . . . . 128 ARG C . 16127 1 789 . 1 1 68 68 ARG CA C 13 56.13 0.20 . 1 . . . . 128 ARG CA . 16127 1 790 . 1 1 68 68 ARG CB C 13 31.06 0.20 . 1 . . . . 128 ARG CB . 16127 1 791 . 1 1 68 68 ARG CD C 13 43.45 0.20 . 1 . . . . 128 ARG CD . 16127 1 792 . 1 1 68 68 ARG CG C 13 27.04 0.20 . 1 . . . . 128 ARG CG . 16127 1 793 . 1 1 68 68 ARG N N 15 123.75 0.30 . 1 . . . . 128 ARG N . 16127 1 794 . 1 1 69 69 LYS H H 1 8.45 0.03 . 1 . . . . 129 LYS H . 16127 1 795 . 1 1 69 69 LYS HA H 1 4.25 0.03 . 1 . . . . 129 LYS HA . 16127 1 796 . 1 1 69 69 LYS HB3 H 1 1.78 0.03 . 2 . . . . 129 LYS HB3 . 16127 1 797 . 1 1 69 69 LYS HD3 H 1 1.66 0.03 . 2 . . . . 129 LYS HD3 . 16127 1 798 . 1 1 69 69 LYS HE3 H 1 2.96 0.03 . 2 . . . . 129 LYS HE3 . 16127 1 799 . 1 1 69 69 LYS HG3 H 1 1.42 0.03 . 2 . . . . 129 LYS HG3 . 16127 1 800 . 1 1 69 69 LYS C C 13 177.01 0.20 . 1 . . . . 129 LYS C . 16127 1 801 . 1 1 69 69 LYS CA C 13 57.00 0.20 . 1 . . . . 129 LYS CA . 16127 1 802 . 1 1 69 69 LYS CB C 13 32.94 0.20 . 1 . . . . 129 LYS CB . 16127 1 803 . 1 1 69 69 LYS CD C 13 29.15 0.20 . 1 . . . . 129 LYS CD . 16127 1 804 . 1 1 69 69 LYS CE C 13 42.07 0.20 . 1 . . . . 129 LYS CE . 16127 1 805 . 1 1 69 69 LYS CG C 13 24.90 0.20 . 1 . . . . 129 LYS CG . 16127 1 806 . 1 1 69 69 LYS N N 15 124.58 0.30 . 1 . . . . 129 LYS N . 16127 1 807 . 1 1 70 70 GLY H H 1 8.50 0.03 . 1 . . . . 130 GLY H . 16127 1 808 . 1 1 70 70 GLY HA2 H 1 3.91 0.03 . 2 . . . . 130 GLY HA2 . 16127 1 809 . 1 1 70 70 GLY HA3 H 1 4.01 0.03 . 2 . . . . 130 GLY HA3 . 16127 1 810 . 1 1 70 70 GLY C C 13 173.36 0.20 . 1 . . . . 130 GLY C . 16127 1 811 . 1 1 70 70 GLY CA C 13 45.37 0.20 . 1 . . . . 130 GLY CA . 16127 1 812 . 1 1 70 70 GLY N N 15 112.47 0.30 . 1 . . . . 130 GLY N . 16127 1 813 . 1 1 71 71 SER H H 1 7.85 0.03 . 1 . . . . 131 SER H . 16127 1 814 . 1 1 71 71 SER HA H 1 4.25 0.03 . 1 . . . . 131 SER HA . 16127 1 815 . 1 1 71 71 SER HB3 H 1 3.81 0.03 . 2 . . . . 131 SER HB3 . 16127 1 816 . 1 1 71 71 SER CA C 13 59.94 0.20 . 1 . . . . 131 SER CA . 16127 1 817 . 1 1 71 71 SER CB C 13 64.98 0.20 . 1 . . . . 131 SER CB . 16127 1 818 . 1 1 71 71 SER N N 15 121.87 0.30 . 1 . . . . 131 SER N . 16127 1 stop_ save_