data_4973 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4973 _Entry.Title ; Sequential Assignment and Secondary Structure of Saratin, an Inhibitor of von Willebrand factor-dependent Platelet Adhesion to Collagen ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-03-16 _Entry.Accession_date 2001-03-16 _Entry.Last_release_date 2001-03-16 _Entry.Original_release_date 2001-03-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Till Maurer . . . . 4973 2 Joerg Bomke . . . . 4973 3 Matthias Frech . . . . 4973 4 Thomas Rysoik . . . . 4973 5 Hans Kalbitzer . R. . . 4973 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4973 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 436 4973 '15N chemical shifts' 112 4973 '1H chemical shifts' 667 4973 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-10-06 2001-03-16 update author 'update chemical shifts' 4973 1 . . 2002-04-04 2001-03-16 original author 'original release' 4973 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4973 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21544935 _Citation.DOI . _Citation.PubMed_ID 11693575 _Citation.Full_citation . _Citation.Title ; Letter to the editor: Sequential Assignment and Secondary Structure of Saratin, an Inhibitor of von Willebrand factor-dependent Platelet Adhesion to Collagen ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 21 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 77 _Citation.Page_last 78 _Citation.Year 2001 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Till Maurer . . . . 4973 1 2 Joerg Bomke . . . . 4973 1 3 Matthias Frech . . . . 4973 1 4 Thomas Rysoik . . . . 4973 1 5 Hans Kalbitzer . R. . . 4973 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4973 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Neidig, K.P., Geyer, M., Gorler, A., Antz, C., Saffrich, R., Beneicke, W. and Kalbitzer, H.R. (1995) J. Biomol. NMR, 6, 255-270. ; _Citation.Title . _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K.P. Neidig . . . . 4973 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_saratin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_saratin _Assembly.Entry_ID 4973 _Assembly.ID 1 _Assembly.Name Saratin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4973 1 stop_ 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 saratin 1 $saratin . . . native . . . . . 4973 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 6 6 SG . 1 . 1 CYS 82 82 SG . . . . . . . . . . 4973 1 2 disulfide single . 1 . 1 CYS 31 31 SG . 1 . 1 CYS 53 53 SG . . . . . . . . . . 4973 1 3 disulfide single . 1 . 1 CYS 35 35 SG . 1 . 1 CYS 41 41 SG . . . . . . . . . . 4973 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Saratin system 4973 1 saratin abbreviation 4973 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'inhibitor of von Willebrand factor-dependent platelet adhesion to collagen' 4973 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_saratin _Entity.Sf_category entity _Entity.Sf_framecode saratin _Entity.Entry_ID 4973 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name saratin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EEREDCWTFYANRKYTDFDK SFKKSSDLDECKKTCFKTEY CYIVFEDTVNKECYYNVVDG EELDQEKFVVDENFTENYLT DCEGKDAGNAAGTGDESDEV DED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12068 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'theoretical pI: 4.09' _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2005-12-09 loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID saratin abbreviation 4973 1 saratin common 4973 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 . GLU . 4973 1 2 . GLU . 4973 1 3 . ARG . 4973 1 4 . GLU . 4973 1 5 . ASP . 4973 1 6 . CYS . 4973 1 7 . TRP . 4973 1 8 . THR . 4973 1 9 . PHE . 4973 1 10 . TYR . 4973 1 11 . ALA . 4973 1 12 . ASN . 4973 1 13 . ARG . 4973 1 14 . LYS . 4973 1 15 . TYR . 4973 1 16 . THR . 4973 1 17 . ASP . 4973 1 18 . PHE . 4973 1 19 . ASP . 4973 1 20 . LYS . 4973 1 21 . SER . 4973 1 22 . PHE . 4973 1 23 . LYS . 4973 1 24 . LYS . 4973 1 25 . SER . 4973 1 26 . SER . 4973 1 27 . ASP . 4973 1 28 . LEU . 4973 1 29 . ASP . 4973 1 30 . GLU . 4973 1 31 . CYS . 4973 1 32 . LYS . 4973 1 33 . LYS . 4973 1 34 . THR . 4973 1 35 . CYS . 4973 1 36 . PHE . 4973 1 37 . LYS . 4973 1 38 . THR . 4973 1 39 . GLU . 4973 1 40 . TYR . 4973 1 41 . CYS . 4973 1 42 . TYR . 4973 1 43 . ILE . 4973 1 44 . VAL . 4973 1 45 . PHE . 4973 1 46 . GLU . 4973 1 47 . ASP . 4973 1 48 . THR . 4973 1 49 . VAL . 4973 1 50 . ASN . 4973 1 51 . LYS . 4973 1 52 . GLU . 4973 1 53 . CYS . 4973 1 54 . TYR . 4973 1 55 . TYR . 4973 1 56 . ASN . 4973 1 57 . VAL . 4973 1 58 . VAL . 4973 1 59 . ASP . 4973 1 60 . GLY . 4973 1 61 . GLU . 4973 1 62 . GLU . 4973 1 63 . LEU . 4973 1 64 . ASP . 4973 1 65 . GLN . 4973 1 66 . GLU . 4973 1 67 . LYS . 4973 1 68 . PHE . 4973 1 69 . VAL . 4973 1 70 . VAL . 4973 1 71 . ASP . 4973 1 72 . GLU . 4973 1 73 . ASN . 4973 1 74 . PHE . 4973 1 75 . THR . 4973 1 76 . GLU . 4973 1 77 . ASN . 4973 1 78 . TYR . 4973 1 79 . LEU . 4973 1 80 . THR . 4973 1 81 . ASP . 4973 1 82 . CYS . 4973 1 83 . GLU . 4973 1 84 . GLY . 4973 1 85 . LYS . 4973 1 86 . ASP . 4973 1 87 . ALA . 4973 1 88 . GLY . 4973 1 89 . ASN . 4973 1 90 . ALA . 4973 1 91 . ALA . 4973 1 92 . GLY . 4973 1 93 . THR . 4973 1 94 . GLY . 4973 1 95 . ASP . 4973 1 96 . GLU . 4973 1 97 . SER . 4973 1 98 . ASP . 4973 1 99 . GLU . 4973 1 100 . VAL . 4973 1 101 . ASP . 4973 1 102 . GLU . 4973 1 103 . ASP . 4973 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 . GLU 1 1 4973 1 . GLU 2 2 4973 1 . ARG 3 3 4973 1 . GLU 4 4 4973 1 . ASP 5 5 4973 1 . CYS 6 6 4973 1 . TRP 7 7 4973 1 . THR 8 8 4973 1 . PHE 9 9 4973 1 . TYR 10 10 4973 1 . ALA 11 11 4973 1 . ASN 12 12 4973 1 . ARG 13 13 4973 1 . LYS 14 14 4973 1 . TYR 15 15 4973 1 . THR 16 16 4973 1 . ASP 17 17 4973 1 . PHE 18 18 4973 1 . ASP 19 19 4973 1 . LYS 20 20 4973 1 . SER 21 21 4973 1 . PHE 22 22 4973 1 . LYS 23 23 4973 1 . LYS 24 24 4973 1 . SER 25 25 4973 1 . SER 26 26 4973 1 . ASP 27 27 4973 1 . LEU 28 28 4973 1 . ASP 29 29 4973 1 . GLU 30 30 4973 1 . CYS 31 31 4973 1 . LYS 32 32 4973 1 . LYS 33 33 4973 1 . THR 34 34 4973 1 . CYS 35 35 4973 1 . PHE 36 36 4973 1 . LYS 37 37 4973 1 . THR 38 38 4973 1 . GLU 39 39 4973 1 . TYR 40 40 4973 1 . CYS 41 41 4973 1 . TYR 42 42 4973 1 . ILE 43 43 4973 1 . VAL 44 44 4973 1 . PHE 45 45 4973 1 . GLU 46 46 4973 1 . ASP 47 47 4973 1 . THR 48 48 4973 1 . VAL 49 49 4973 1 . ASN 50 50 4973 1 . LYS 51 51 4973 1 . GLU 52 52 4973 1 . CYS 53 53 4973 1 . TYR 54 54 4973 1 . TYR 55 55 4973 1 . ASN 56 56 4973 1 . VAL 57 57 4973 1 . VAL 58 58 4973 1 . ASP 59 59 4973 1 . GLY 60 60 4973 1 . GLU 61 61 4973 1 . GLU 62 62 4973 1 . LEU 63 63 4973 1 . ASP 64 64 4973 1 . GLN 65 65 4973 1 . GLU 66 66 4973 1 . LYS 67 67 4973 1 . PHE 68 68 4973 1 . VAL 69 69 4973 1 . VAL 70 70 4973 1 . ASP 71 71 4973 1 . GLU 72 72 4973 1 . ASN 73 73 4973 1 . PHE 74 74 4973 1 . THR 75 75 4973 1 . GLU 76 76 4973 1 . ASN 77 77 4973 1 . TYR 78 78 4973 1 . LEU 79 79 4973 1 . THR 80 80 4973 1 . ASP 81 81 4973 1 . CYS 82 82 4973 1 . GLU 83 83 4973 1 . GLY 84 84 4973 1 . LYS 85 85 4973 1 . ASP 86 86 4973 1 . ALA 87 87 4973 1 . GLY 88 88 4973 1 . ASN 89 89 4973 1 . ALA 90 90 4973 1 . ALA 91 91 4973 1 . GLY 92 92 4973 1 . THR 93 93 4973 1 . GLY 94 94 4973 1 . ASP 95 95 4973 1 . GLU 96 96 4973 1 . SER 97 97 4973 1 . ASP 98 98 4973 1 . GLU 99 99 4973 1 . VAL 100 100 4973 1 . ASP 101 101 4973 1 . GLU 102 102 4973 1 . ASP 103 103 4973 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4973 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $saratin . 6421 organism . 'Hirudo medicinalis' leech . . Eukaryota Metazoa Hirudo medicinalis . . . . . . . . . saliva . . . 4973 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 4973 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $saratin . 'recombinant technology' 'Hansenula polymorpha' . . . Hansenula polymorpha . . . . . . . . . 'overexpression was done in the yeast Hansenula polymorpha' 4973 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4973 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 saratin . . . 1 $saratin . . 1.5 . . mM . . . . 4973 1 2 H2O . . . . . . . 100 . . % . . . . 4973 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4973 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 saratin [U-15N] . . 1 $saratin . . 1.5 . . mM . . . . 4973 2 2 H2O . . . . . . . 100 . . % . . . . 4973 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4973 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 saratin '[U-5% 13C; U-15N]' . . 1 $saratin . . 1.7 . . mM . . . . 4973 3 2 H2O . . . . . . . 100 . . % . . . . 4973 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 4973 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 saratin . . . 1 $saratin . . 1.5 . . mM . . . . 4973 4 2 D2O . . . . . . . 100 . . % . . . . 4973 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 4973 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 saratin [U-15N] . . 1 $saratin . . 1.5 . . mM . . . . 4973 5 2 D2O . . . . . . . 100 . . % . . . . 4973 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 4973 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 saratin '[U-5% 13C; U-15N]' . . 1 $saratin . . 1.7 . . mM . . . . 4973 6 2 D2O . . . . . . . 100 . . % . . . . 4973 6 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4973 _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' 0.067 0.05 M 4973 1 pH 6.5 0.1 n/a 4973 1 temperature 298 2 K 4973 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 4973 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data acqusition' 4973 1 'data processing' 4973 1 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 4973 _Software.ID 2 _Software.Name AURELIA _Software.Version 2.7.10 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated peak assignment' 4973 2 'sequential and sequence specific assignment' 4973 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 4973 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4973 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4973 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4973 _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 NMR_spectrometer_1 Bruker DRX . 800 . . . 4973 1 2 NMR_spectrometer_2 Bruker DRX . 500 . . . 4973 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 4973 _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 '1H-15N NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4973 1 2 HNCA . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4973 1 3 HNCO . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4973 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4973 1 5 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4973 1 6 NOESY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4973 1 7 TOCSY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4973 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4973 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 4973 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 4973 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 4973 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode set_1 _Assigned_chem_shift_list.Entry_ID 4973 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N NOESY' . . . 4973 1 2 HNCA . . . 4973 1 3 HNCO . . . 4973 1 4 CBCA(CO)NH . . . 4973 1 5 HCCH-TOCSY . . . 4973 1 6 NOESY . . . 4973 1 7 TOCSY . . . 4973 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 GLU CA C 13 55.51 0.05 . 1 . . . . 1 GLU CA . 4973 1 2 . 1 1 1 1 GLU CB C 13 30.22 0.05 . 1 . . . . 1 GLU CB . 4973 1 3 . 1 1 2 2 GLU H H 1 8.82 0.02 . 1 . . . . 2 GLU HN . 4973 1 4 . 1 1 2 2 GLU HA H 1 4.29 0.02 . 1 . . . . 2 GLU HA . 4973 1 5 . 1 1 2 2 GLU HB2 H 1 2.00 0.02 . 2 . . . . 2 GLU HB2 . 4973 1 6 . 1 1 2 2 GLU HB3 H 1 1.97 0.02 . 2 . . . . 2 GLU HB3 . 4973 1 7 . 1 1 2 2 GLU HG2 H 1 2.40 0.02 . 2 . . . . 2 GLU HG2 . 4973 1 8 . 1 1 2 2 GLU HG3 H 1 2.47 0.02 . 2 . . . . 2 GLU HG3 . 4973 1 9 . 1 1 2 2 GLU CA C 13 56.12 0.05 . 1 . . . . 2 GLU CA . 4973 1 10 . 1 1 2 2 GLU CB C 13 30.33 0.05 . 1 . . . . 2 GLU CB . 4973 1 11 . 1 1 2 2 GLU CG C 13 36.00 0.05 . 1 . . . . 2 GLU CG . 4973 1 12 . 1 1 2 2 GLU N N 15 123.31 0.1 . 1 . . . . 2 GLU N . 4973 1 13 . 1 1 3 3 ARG H H 1 8.50 0.02 . 1 . . . . 3 ARG HN . 4973 1 14 . 1 1 3 3 ARG HA H 1 4.41 0.02 . 1 . . . . 3 ARG HA . 4973 1 15 . 1 1 3 3 ARG HB2 H 1 1.84 0.02 . 2 . . . . 3 ARG HB2 . 4973 1 16 . 1 1 3 3 ARG HB3 H 1 1.88 0.02 . 2 . . . . 3 ARG HB3 . 4973 1 17 . 1 1 3 3 ARG HD2 H 1 3.13 0.02 . 2 . . . . 3 ARG HD2 . 4973 1 18 . 1 1 3 3 ARG HD3 H 1 3.25 0.02 . 2 . . . . 3 ARG HD3 . 4973 1 19 . 1 1 3 3 ARG HE H 1 8.87 0.02 . 1 . . . . 3 ARG HE . 4973 1 20 . 1 1 3 3 ARG HG2 H 1 1.58 0.02 . 2 . . . . 3 ARG HG2 . 4973 1 21 . 1 1 3 3 ARG HG3 H 1 1.65 0.02 . 2 . . . . 3 ARG HG3 . 4973 1 22 . 1 1 3 3 ARG C C 13 176.36 0.05 . 1 . . . . 3 ARG C . 4973 1 23 . 1 1 3 3 ARG CA C 13 55.23 0.05 . 1 . . . . 3 ARG CA . 4973 1 24 . 1 1 3 3 ARG CB C 13 31.20 0.05 . 1 . . . . 3 ARG CB . 4973 1 25 . 1 1 3 3 ARG CD C 13 42.48 0.05 . 1 . . . . 3 ARG CD . 4973 1 26 . 1 1 3 3 ARG CG C 13 26.47 0.05 . 1 . . . . 3 ARG CG . 4973 1 27 . 1 1 3 3 ARG CZ C 13 160.30 0.05 . 1 . . . . 3 ARG CZ . 4973 1 28 . 1 1 3 3 ARG N N 15 122.99 0.1 . 1 . . . . 3 ARG N . 4973 1 29 . 1 1 3 3 ARG NE N 15 85.41 0.1 . 1 . . . . 3 ARG NE . 4973 1 30 . 1 1 4 4 GLU H H 1 8.68 0.02 . 1 . . . . 4 GLU HN . 4973 1 31 . 1 1 4 4 GLU HA H 1 4.21 0.02 . 1 . . . . 4 GLU HA . 4973 1 32 . 1 1 4 4 GLU HB2 H 1 1.71 0.02 . 2 . . . . 4 GLU HB2 . 4973 1 33 . 1 1 4 4 GLU HB3 H 1 2.04 0.02 . 2 . . . . 4 GLU HB3 . 4973 1 34 . 1 1 4 4 GLU HG2 H 1 2.21 0.02 . 2 . . . . 4 GLU HG2 . 4973 1 35 . 1 1 4 4 GLU HG3 H 1 2.20 0.02 . 2 . . . . 4 GLU HG3 . 4973 1 36 . 1 1 4 4 GLU C C 13 174.36 0.05 . 1 . . . . 4 GLU C . 4973 1 37 . 1 1 4 4 GLU CA C 13 56.46 0.05 . 1 . . . . 4 GLU CA . 4973 1 38 . 1 1 4 4 GLU CB C 13 31.31 0.05 . 1 . . . . 4 GLU CB . 4973 1 39 . 1 1 4 4 GLU CG C 13 36.67 0.05 . 1 . . . . 4 GLU CG . 4973 1 40 . 1 1 4 4 GLU N N 15 121.06 0.1 . 1 . . . . 4 GLU N . 4973 1 41 . 1 1 5 5 ASP H H 1 8.73 0.02 . 1 . . . . 5 ASP HN . 4973 1 42 . 1 1 5 5 ASP HA H 1 4.14 0.02 . 1 . . . . 5 ASP HA . 4973 1 43 . 1 1 5 5 ASP HB2 H 1 1.65 0.02 . 2 . . . . 5 ASP HB2 . 4973 1 44 . 1 1 5 5 ASP HB3 H 1 2.14 0.02 . 2 . . . . 5 ASP HB3 . 4973 1 45 . 1 1 5 5 ASP C C 13 174.30 0.05 . 1 . . . . 5 ASP C . 4973 1 46 . 1 1 5 5 ASP CA C 13 52.43 0.05 . 1 . . . . 5 ASP CA . 4973 1 47 . 1 1 5 5 ASP CB C 13 40.05 0.05 . 1 . . . . 5 ASP CB . 4973 1 48 . 1 1 5 5 ASP N N 15 116.56 0.1 . 1 . . . . 5 ASP N . 4973 1 49 . 1 1 6 6 CYS H H 1 7.54 0.02 . 1 . . . . 6 CYS HN . 4973 1 50 . 1 1 6 6 CYS HA H 1 4.74 0.02 . 1 . . . . 6 CYS HA . 4973 1 51 . 1 1 6 6 CYS HB2 H 1 2.70 0.02 . 2 . . . . 6 CYS HB2 . 4973 1 52 . 1 1 6 6 CYS HB3 H 1 3.34 0.02 . 2 . . . . 6 CYS HB3 . 4973 1 53 . 1 1 6 6 CYS C C 13 171.85 0.05 . 1 . . . . 6 CYS C . 4973 1 54 . 1 1 6 6 CYS CA C 13 57.56 0.05 . 1 . . . . 6 CYS CA . 4973 1 55 . 1 1 6 6 CYS CB C 13 46.83 0.05 . 1 . . . . 6 CYS CB . 4973 1 56 . 1 1 6 6 CYS N N 15 119.45 0.1 . 1 . . . . 6 CYS N . 4973 1 57 . 1 1 7 7 TRP H H 1 8.11 0.02 . 1 . . . . 7 TRP HN . 4973 1 58 . 1 1 7 7 TRP HA H 1 5.19 0.02 . 1 . . . . 7 TRP HA . 4973 1 59 . 1 1 7 7 TRP HB2 H 1 2.77 0.02 . 2 . . . . 7 TRP HB2 . 4973 1 60 . 1 1 7 7 TRP HB3 H 1 3.12 0.02 . 2 . . . . 7 TRP HB3 . 4973 1 61 . 1 1 7 7 TRP HD1 H 1 6.96 0.02 . 1 . . . . 7 TRP HD1 . 4973 1 62 . 1 1 7 7 TRP HE1 H 1 11.68 0.02 . 1 . . . . 7 TRP HE1 . 4973 1 63 . 1 1 7 7 TRP HE3 H 1 7.03 0.02 . 1 . . . . 7 TRP HE3 . 4973 1 64 . 1 1 7 7 TRP HH2 H 1 7.55 0.02 . 1 . . . . 7 TRP HH2 . 4973 1 65 . 1 1 7 7 TRP HZ2 H 1 6.95 0.02 . 1 . . . . 7 TRP HZ2 . 4973 1 66 . 1 1 7 7 TRP HZ3 H 1 7.54 0.02 . 1 . . . . 7 TRP HZ3 . 4973 1 67 . 1 1 7 7 TRP C C 13 176.68 0.05 . 1 . . . . 7 TRP C . 4973 1 68 . 1 1 7 7 TRP CA C 13 56.67 0.05 . 1 . . . . 7 TRP CA . 4973 1 69 . 1 1 7 7 TRP CB C 13 33.39 0.05 . 1 . . . . 7 TRP CB . 4973 1 70 . 1 1 7 7 TRP CD1 C 13 126.35 0.05 . 1 . . . . 7 TRP CD1 . 4973 1 71 . 1 1 7 7 TRP CD2 C 13 127.00 0.05 . 1 . . . . 7 TRP CD2 . 4973 1 72 . 1 1 7 7 TRP CE2 C 13 135.01 0.05 . 1 . . . . 7 TRP CE2 . 4973 1 73 . 1 1 7 7 TRP CE3 C 13 122.20 0.05 . 1 . . . . 7 TRP CE3 . 4973 1 74 . 1 1 7 7 TRP N N 15 118.81 0.1 . 1 . . . . 7 TRP N . 4973 1 75 . 1 1 7 7 TRP NE1 N 15 132.96 0.1 . 1 . . . . 7 TRP NE1 . 4973 1 76 . 1 1 8 8 THR H H 1 9.42 0.02 . 1 . . . . 8 THR HN . 4973 1 77 . 1 1 8 8 THR HA H 1 4.83 0.02 . 1 . . . . 8 THR HA . 4973 1 78 . 1 1 8 8 THR HB H 1 4.02 0.02 . 1 . . . . 8 THR HB . 4973 1 79 . 1 1 8 8 THR HG21 H 1 1.35 0.02 . 1 . . . . 8 THR HG2 . 4973 1 80 . 1 1 8 8 THR HG22 H 1 1.35 0.02 . 1 . . . . 8 THR HG2 . 4973 1 81 . 1 1 8 8 THR HG23 H 1 1.35 0.02 . 1 . . . . 8 THR HG2 . 4973 1 82 . 1 1 8 8 THR C C 13 174.13 0.05 . 1 . . . . 8 THR C . 4973 1 83 . 1 1 8 8 THR CA C 13 60.77 0.05 . 1 . . . . 8 THR CA . 4973 1 84 . 1 1 8 8 THR CB C 13 71.53 0.05 . 1 . . . . 8 THR CB . 4973 1 85 . 1 1 8 8 THR CG2 C 13 20.92 0.05 . 1 . . . . 8 THR CG2 . 4973 1 86 . 1 1 8 8 THR N N 15 118.17 0.1 . 1 . . . . 8 THR N . 4973 1 87 . 1 1 9 9 PHE H H 1 8.93 0.02 . 1 . . . . 9 PHE HN . 4973 1 88 . 1 1 9 9 PHE HA H 1 4.94 0.02 . 1 . . . . 9 PHE HA . 4973 1 89 . 1 1 9 9 PHE HB2 H 1 2.94 0.02 . 2 . . . . 9 PHE HB2 . 4973 1 90 . 1 1 9 9 PHE HB3 H 1 3.33 0.02 . 2 . . . . 9 PHE HB3 . 4973 1 91 . 1 1 9 9 PHE HD1 H 1 7.04 0.02 . 1 . . . . 9 PHE HD . 4973 1 92 . 1 1 9 9 PHE HD2 H 1 7.04 0.02 . 1 . . . . 9 PHE HD . 4973 1 93 . 1 1 9 9 PHE HE1 H 1 6.92 0.02 . 1 . . . . 9 PHE HE . 4973 1 94 . 1 1 9 9 PHE HE2 H 1 6.92 0.02 . 1 . . . . 9 PHE HE . 4973 1 95 . 1 1 9 9 PHE HZ H 1 6.94 0.02 . 1 . . . . 9 PHE HZ . 4973 1 96 . 1 1 9 9 PHE C C 13 174.25 0.05 . 1 . . . . 9 PHE C . 4973 1 97 . 1 1 9 9 PHE CA C 13 58.44 0.05 . 1 . . . . 9 PHE CA . 4973 1 98 . 1 1 9 9 PHE CB C 13 39.40 0.05 . 1 . . . . 9 PHE CB . 4973 1 99 . 1 1 9 9 PHE CD1 C 13 134.17 0.05 . 1 . . . . 9 PHE CD1 . 4973 1 100 . 1 1 9 9 PHE CD2 C 13 134.17 0.05 . 1 . . . . 9 PHE CD2 . 4973 1 101 . 1 1 9 9 PHE N N 15 129.09 0.1 . 1 . . . . 9 PHE N . 4973 1 102 . 1 1 10 10 TYR H H 1 8.87 0.02 . 1 . . . . 10 TYR HN . 4973 1 103 . 1 1 10 10 TYR HA H 1 4.50 0.02 . 1 . . . . 10 TYR HA . 4973 1 104 . 1 1 10 10 TYR HB2 H 1 2.44 0.02 . 2 . . . . 10 TYR HB2 . 4973 1 105 . 1 1 10 10 TYR HB3 H 1 2.79 0.02 . 2 . . . . 10 TYR HB3 . 4973 1 106 . 1 1 10 10 TYR HD1 H 1 7.01 0.02 . 1 . . . . 10 TYR HD . 4973 1 107 . 1 1 10 10 TYR HD2 H 1 7.01 0.02 . 1 . . . . 10 TYR HD . 4973 1 108 . 1 1 10 10 TYR HE1 H 1 6.64 0.02 . 1 . . . . 10 TYR HE . 4973 1 109 . 1 1 10 10 TYR HE2 H 1 6.64 0.02 . 1 . . . . 10 TYR HE . 4973 1 110 . 1 1 10 10 TYR C C 13 174.10 0.05 . 1 . . . . 10 TYR C . 4973 1 111 . 1 1 10 10 TYR CA C 13 58.72 0.05 . 1 . . . . 10 TYR CA . 4973 1 112 . 1 1 10 10 TYR CB C 13 41.91 0.05 . 1 . . . . 10 TYR CB . 4973 1 113 . 1 1 10 10 TYR CD1 C 13 131.65 0.05 . 1 . . . . 10 TYR CD1 . 4973 1 114 . 1 1 10 10 TYR CD2 C 13 131.65 0.05 . 1 . . . . 10 TYR CD2 . 4973 1 115 . 1 1 10 10 TYR CE1 C 13 116.68 0.05 . 1 . . . . 10 TYR CE1 . 4973 1 116 . 1 1 10 10 TYR CE2 C 13 116.68 0.05 . 1 . . . . 10 TYR CE2 . 4973 1 117 . 1 1 10 10 TYR N N 15 129.41 0.1 . 1 . . . . 10 TYR N . 4973 1 118 . 1 1 11 11 ALA H H 1 6.91 0.02 . 1 . . . . 11 ALA HN . 4973 1 119 . 1 1 11 11 ALA HA H 1 4.13 0.02 . 1 . . . . 11 ALA HA . 4973 1 120 . 1 1 11 11 ALA HB1 H 1 1.18 0.02 . 1 . . . . 11 ALA HB . 4973 1 121 . 1 1 11 11 ALA HB2 H 1 1.18 0.02 . 1 . . . . 11 ALA HB . 4973 1 122 . 1 1 11 11 ALA HB3 H 1 1.18 0.02 . 1 . . . . 11 ALA HB . 4973 1 123 . 1 1 11 11 ALA C C 13 175.13 0.05 . 1 . . . . 11 ALA C . 4973 1 124 . 1 1 11 11 ALA CA C 13 51.68 0.05 . 1 . . . . 11 ALA CA . 4973 1 125 . 1 1 11 11 ALA CB C 13 22.24 0.05 . 1 . . . . 11 ALA CB . 4973 1 126 . 1 1 11 11 ALA N N 15 115.60 0.1 . 1 . . . . 11 ALA N . 4973 1 127 . 1 1 12 12 ASN H H 1 8.60 0.02 . 1 . . . . 12 ASN HN . 4973 1 128 . 1 1 12 12 ASN HA H 1 5.86 0.02 . 1 . . . . 12 ASN HA . 4973 1 129 . 1 1 12 12 ASN HB2 H 1 2.70 0.02 . 2 . . . . 12 ASN HB2 . 4973 1 130 . 1 1 12 12 ASN HB3 H 1 3.62 0.02 . 2 . . . . 12 ASN HB3 . 4973 1 131 . 1 1 12 12 ASN HD21 H 1 7.51 0.02 . 2 . . . . 12 ASN HD21 . 4973 1 132 . 1 1 12 12 ASN HD22 H 1 8.28 0.02 . 2 . . . . 12 ASN HD22 . 4973 1 133 . 1 1 12 12 ASN C C 13 174.57 0.05 . 1 . . . . 12 ASN C . 4973 1 134 . 1 1 12 12 ASN CA C 13 53.73 0.05 . 1 . . . . 12 ASN CA . 4973 1 135 . 1 1 12 12 ASN CB C 13 38.96 0.05 . 1 . . . . 12 ASN CB . 4973 1 136 . 1 1 12 12 ASN CG C 13 179.06 0.05 . 1 . . . . 12 ASN CG . 4973 1 137 . 1 1 12 12 ASN N N 15 119.13 0.1 . 1 . . . . 12 ASN N . 4973 1 138 . 1 1 12 12 ASN ND2 N 15 110.43 0.1 . 1 . . . . 12 ASN ND2 . 4973 1 139 . 1 1 13 13 ARG H H 1 7.12 0.02 . 1 . . . . 13 ARG HN . 4973 1 140 . 1 1 13 13 ARG HA H 1 5.21 0.02 . 1 . . . . 13 ARG HA . 4973 1 141 . 1 1 13 13 ARG HB2 H 1 1.76 0.02 . 2 . . . . 13 ARG HB2 . 4973 1 142 . 1 1 13 13 ARG HB3 H 1 2.70 0.02 . 2 . . . . 13 ARG HB3 . 4973 1 143 . 1 1 13 13 ARG HD2 H 1 2.80 0.02 . 2 . . . . 13 ARG HD2 . 4973 1 144 . 1 1 13 13 ARG HD3 H 1 3.35 0.02 . 2 . . . . 13 ARG HD3 . 4973 1 145 . 1 1 13 13 ARG HE H 1 10.80 0.02 . 1 . . . . 13 ARG HE . 4973 1 146 . 1 1 13 13 ARG HG2 H 1 1.63 0.02 . 2 . . . . 13 ARG HG2 . 4973 1 147 . 1 1 13 13 ARG HG3 H 1 1.82 0.02 . 2 . . . . 13 ARG HG3 . 4973 1 148 . 1 1 13 13 ARG C C 13 172.51 0.05 . 1 . . . . 13 ARG C . 4973 1 149 . 1 1 13 13 ARG CA C 13 54.82 0.05 . 1 . . . . 13 ARG CA . 4973 1 150 . 1 1 13 13 ARG CB C 13 36.12 0.05 . 1 . . . . 13 ARG CB . 4973 1 151 . 1 1 13 13 ARG CD C 13 43.99 0.05 . 1 . . . . 13 ARG CD . 4973 1 152 . 1 1 13 13 ARG CG C 13 26.47 0.05 . 1 . . . . 13 ARG CG . 4973 1 153 . 1 1 13 13 ARG CZ C 13 160.55 0.05 . 1 . . . . 13 ARG CZ . 4973 1 154 . 1 1 13 13 ARG N N 15 120.42 0.1 . 1 . . . . 13 ARG N . 4973 1 155 . 1 1 13 13 ARG NE N 15 84.56 0.1 . 1 . . . . 13 ARG NE . 4973 1 156 . 1 1 14 14 LYS H H 1 8.58 0.02 . 1 . . . . 14 LYS HN . 4973 1 157 . 1 1 14 14 LYS HA H 1 4.15 0.02 . 1 . . . . 14 LYS HA . 4973 1 158 . 1 1 14 14 LYS HB2 H 1 0.10 0.02 . 2 . . . . 14 LYS HB2 . 4973 1 159 . 1 1 14 14 LYS HB3 H 1 0.35 0.02 . 2 . . . . 14 LYS HB3 . 4973 1 160 . 1 1 14 14 LYS HD2 H 1 0.88 0.02 . 2 . . . . 14 LYS HD2 . 4973 1 161 . 1 1 14 14 LYS HD3 H 1 0.96 0.02 . 2 . . . . 14 LYS HD3 . 4973 1 162 . 1 1 14 14 LYS HE2 H 1 2.38 0.02 . 2 . . . . 14 LYS HE2 . 4973 1 163 . 1 1 14 14 LYS HE3 H 1 2.44 0.02 . 2 . . . . 14 LYS HE3 . 4973 1 164 . 1 1 14 14 LYS HG2 H 1 -0.02 0.02 . 2 . . . . 14 LYS HG2 . 4973 1 165 . 1 1 14 14 LYS HG3 H 1 0.69 0.02 . 2 . . . . 14 LYS HG3 . 4973 1 166 . 1 1 14 14 LYS CA C 13 52.91 0.05 . 1 . . . . 14 LYS CA . 4973 1 167 . 1 1 14 14 LYS CB C 13 34.81 0.05 . 1 . . . . 14 LYS CB . 4973 1 168 . 1 1 14 14 LYS CD C 13 29.17 0.05 . 1 . . . . 14 LYS CD . 4973 1 169 . 1 1 14 14 LYS CE C 13 41.97 0.05 . 1 . . . . 14 LYS CE . 4973 1 170 . 1 1 14 14 LYS CG C 13 22.66 0.05 . 1 . . . . 14 LYS CG . 4973 1 171 . 1 1 14 14 LYS N N 15 111.75 0.1 . 1 . . . . 14 LYS N . 4973 1 172 . 1 1 15 15 TYR H H 1 4.44 0.02 . 1 . . . . 15 TYR HN . 4973 1 173 . 1 1 15 15 TYR HA H 1 4.70 0.02 . 1 . . . . 15 TYR HA . 4973 1 174 . 1 1 15 15 TYR HB2 H 1 0.97 0.02 . 2 . . . . 15 TYR HB2 . 4973 1 175 . 1 1 15 15 TYR HB3 H 1 1.36 0.02 . 2 . . . . 15 TYR HB3 . 4973 1 176 . 1 1 15 15 TYR HD1 H 1 5.49 0.02 . 1 . . . . 15 TYR HD . 4973 1 177 . 1 1 15 15 TYR HD2 H 1 5.49 0.02 . 1 . . . . 15 TYR HD . 4973 1 178 . 1 1 15 15 TYR HE1 H 1 6.84 0.02 . 1 . . . . 15 TYR HE . 4973 1 179 . 1 1 15 15 TYR HE2 H 1 6.84 0.02 . 1 . . . . 15 TYR HE . 4973 1 180 . 1 1 15 15 TYR C C 13 176.67 0.05 . 1 . . . . 15 TYR C . 4973 1 181 . 1 1 15 15 TYR CA C 13 54.89 0.05 . 1 . . . . 15 TYR CA . 4973 1 182 . 1 1 15 15 TYR CB C 13 40.93 0.05 . 1 . . . . 15 TYR CB . 4973 1 183 . 1 1 15 15 TYR CD1 C 13 132.96 0.05 . 1 . . . . 15 TYR CD1 . 4973 1 184 . 1 1 15 15 TYR CD2 C 13 132.96 0.05 . 1 . . . . 15 TYR CD2 . 4973 1 185 . 1 1 15 15 TYR CE1 C 13 118.07 0.05 . 1 . . . . 15 TYR CE1 . 4973 1 186 . 1 1 15 15 TYR CE2 C 13 118.07 0.05 . 1 . . . . 15 TYR CE2 . 4973 1 187 . 1 1 15 15 TYR N N 15 118.81 0.1 . 1 . . . . 15 TYR N . 4973 1 188 . 1 1 16 16 THR H H 1 7.81 0.02 . 1 . . . . 16 THR HN . 4973 1 189 . 1 1 16 16 THR HA H 1 3.35 0.02 . 1 . . . . 16 THR HA . 4973 1 190 . 1 1 16 16 THR HB H 1 4.03 0.02 . 1 . . . . 16 THR HB . 4973 1 191 . 1 1 16 16 THR HG21 H 1 0.83 0.02 . 1 . . . . 16 THR HG2 . 4973 1 192 . 1 1 16 16 THR HG22 H 1 0.83 0.02 . 1 . . . . 16 THR HG2 . 4973 1 193 . 1 1 16 16 THR HG23 H 1 0.83 0.02 . 1 . . . . 16 THR HG2 . 4973 1 194 . 1 1 16 16 THR C C 13 174.09 0.05 . 1 . . . . 16 THR C . 4973 1 195 . 1 1 16 16 THR CA C 13 63.77 0.05 . 1 . . . . 16 THR CA . 4973 1 196 . 1 1 16 16 THR CB C 13 68.03 0.05 . 1 . . . . 16 THR CB . 4973 1 197 . 1 1 16 16 THR CG2 C 13 21.90 0.05 . 1 . . . . 16 THR CG2 . 4973 1 198 . 1 1 16 16 THR N N 15 113.35 0.1 . 1 . . . . 16 THR N . 4973 1 199 . 1 1 17 17 ASP H H 1 5.68 0.02 . 1 . . . . 17 ASP HN . 4973 1 200 . 1 1 17 17 ASP HA H 1 4.99 0.02 . 1 . . . . 17 ASP HA . 4973 1 201 . 1 1 17 17 ASP HB2 H 1 2.13 0.02 . 2 . . . . 17 ASP HB2 . 4973 1 202 . 1 1 17 17 ASP HB3 H 1 2.84 0.02 . 2 . . . . 17 ASP HB3 . 4973 1 203 . 1 1 17 17 ASP C C 13 175.83 0.05 . 1 . . . . 17 ASP C . 4973 1 204 . 1 1 17 17 ASP CA C 13 51.82 0.05 . 1 . . . . 17 ASP CA . 4973 1 205 . 1 1 17 17 ASP CB C 13 41.36 0.05 . 1 . . . . 17 ASP CB . 4973 1 206 . 1 1 17 17 ASP CG C 13 180.38 0.05 . 1 . . . . 17 ASP CG . 4973 1 207 . 1 1 17 17 ASP N N 15 119.45 0.1 . 1 . . . . 17 ASP N . 4973 1 208 . 1 1 18 18 PHE H H 1 8.03 0.02 . 1 . . . . 18 PHE HN . 4973 1 209 . 1 1 18 18 PHE HA H 1 4.36 0.02 . 1 . . . . 18 PHE HA . 4973 1 210 . 1 1 18 18 PHE HB2 H 1 2.64 0.02 . 2 . . . . 18 PHE HB2 . 4973 1 211 . 1 1 18 18 PHE HB3 H 1 2.87 0.02 . 2 . . . . 18 PHE HB3 . 4973 1 212 . 1 1 18 18 PHE HD1 H 1 6.02 0.02 . 1 . . . . 18 PHE HD . 4973 1 213 . 1 1 18 18 PHE HD2 H 1 6.02 0.02 . 1 . . . . 18 PHE HD . 4973 1 214 . 1 1 18 18 PHE HE1 H 1 6.01 0.02 . 1 . . . . 18 PHE HE . 4973 1 215 . 1 1 18 18 PHE HE2 H 1 6.01 0.02 . 1 . . . . 18 PHE HE . 4973 1 216 . 1 1 18 18 PHE HZ H 1 5.78 0.02 . 1 . . . . 18 PHE HZ . 4973 1 217 . 1 1 18 18 PHE C C 13 178.02 0.05 . 1 . . . . 18 PHE C . 4973 1 218 . 1 1 18 18 PHE CA C 13 59.95 0.05 . 1 . . . . 18 PHE CA . 4973 1 219 . 1 1 18 18 PHE CB C 13 39.29 0.05 . 1 . . . . 18 PHE CB . 4973 1 220 . 1 1 18 18 PHE CD1 C 13 132.26 0.05 . 1 . . . . 18 PHE CD1 . 4973 1 221 . 1 1 18 18 PHE CD2 C 13 132.26 0.05 . 1 . . . . 18 PHE CD2 . 4973 1 222 . 1 1 18 18 PHE CE1 C 13 132.26 0.05 . 1 . . . . 18 PHE CE1 . 4973 1 223 . 1 1 18 18 PHE CE2 C 13 132.26 0.05 . 1 . . . . 18 PHE CE2 . 4973 1 224 . 1 1 18 18 PHE N N 15 120.42 0.1 . 1 . . . . 18 PHE N . 4973 1 225 . 1 1 19 19 ASP H H 1 8.35 0.02 . 1 . . . . 19 ASP HN . 4973 1 226 . 1 1 19 19 ASP HA H 1 4.43 0.02 . 1 . . . . 19 ASP HA . 4973 1 227 . 1 1 19 19 ASP HB2 H 1 2.72 0.02 . 2 . . . . 19 ASP HB2 . 4973 1 228 . 1 1 19 19 ASP HB3 H 1 2.79 0.02 . 2 . . . . 19 ASP HB3 . 4973 1 229 . 1 1 19 19 ASP C C 13 178.06 0.05 . 1 . . . . 19 ASP C . 4973 1 230 . 1 1 19 19 ASP CA C 13 57.08 0.05 . 1 . . . . 19 ASP CA . 4973 1 231 . 1 1 19 19 ASP CB C 13 40.82 0.05 . 1 . . . . 19 ASP CB . 4973 1 232 . 1 1 19 19 ASP N N 15 115.28 0.1 . 1 . . . . 19 ASP N . 4973 1 233 . 1 1 20 20 LYS H H 1 7.71 0.02 . 1 . . . . 20 LYS HN . 4973 1 234 . 1 1 20 20 LYS HA H 1 4.30 0.02 . 1 . . . . 20 LYS HA . 4973 1 235 . 1 1 20 20 LYS HB2 H 1 1.91 0.02 . 2 . . . . 20 LYS HB2 . 4973 1 236 . 1 1 20 20 LYS HB3 H 1 2.06 0.02 . 2 . . . . 20 LYS HB3 . 4973 1 237 . 1 1 20 20 LYS HD2 H 1 1.75 0.02 . 1 . . . . 20 LYS HD . 4973 1 238 . 1 1 20 20 LYS HD3 H 1 1.75 0.02 . 1 . . . . 20 LYS HD . 4973 1 239 . 1 1 20 20 LYS HE2 H 1 3.04 0.02 . 1 . . . . 20 LYS HE . 4973 1 240 . 1 1 20 20 LYS HE3 H 1 3.04 0.02 . 1 . . . . 20 LYS HE . 4973 1 241 . 1 1 20 20 LYS HG2 H 1 1.49 0.02 . 1 . . . . 20 LYS HG . 4973 1 242 . 1 1 20 20 LYS HG3 H 1 1.49 0.02 . 1 . . . . 20 LYS HG . 4973 1 243 . 1 1 20 20 LYS C C 13 179.10 0.05 . 1 . . . . 20 LYS C . 4973 1 244 . 1 1 20 20 LYS CA C 13 58.58 0.05 . 1 . . . . 20 LYS CA . 4973 1 245 . 1 1 20 20 LYS CB C 13 33.06 0.05 . 1 . . . . 20 LYS CB . 4973 1 246 . 1 1 20 20 LYS CD C 13 28.72 0.05 . 1 . . . . 20 LYS CD . 4973 1 247 . 1 1 20 20 LYS CE C 13 42.06 0.05 . 1 . . . . 20 LYS CE . 4973 1 248 . 1 1 20 20 LYS CG C 13 24.68 0.05 . 1 . . . . 20 LYS CG . 4973 1 249 . 1 1 20 20 LYS N N 15 116.56 0.1 . 1 . . . . 20 LYS N . 4973 1 250 . 1 1 21 21 SER H H 1 7.53 0.02 . 1 . . . . 21 SER HN . 4973 1 251 . 1 1 21 21 SER HA H 1 4.56 0.02 . 1 . . . . 21 SER HA . 4973 1 252 . 1 1 21 21 SER HB2 H 1 3.67 0.02 . 2 . . . . 21 SER HB2 . 4973 1 253 . 1 1 21 21 SER HB3 H 1 3.83 0.02 . 2 . . . . 21 SER HB3 . 4973 1 254 . 1 1 21 21 SER C C 13 172.06 0.05 . 1 . . . . 21 SER C . 4973 1 255 . 1 1 21 21 SER CA C 13 59.40 0.05 . 1 . . . . 21 SER CA . 4973 1 256 . 1 1 21 21 SER CB C 13 65.41 0.05 . 1 . . . . 21 SER CB . 4973 1 257 . 1 1 21 21 SER N N 15 111.42 0.1 . 1 . . . . 21 SER N . 4973 1 258 . 1 1 22 22 PHE H H 1 8.32 0.02 . 1 . . . . 22 PHE HN . 4973 1 259 . 1 1 22 22 PHE HA H 1 5.29 0.02 . 1 . . . . 22 PHE HA . 4973 1 260 . 1 1 22 22 PHE HB2 H 1 3.04 0.02 . 2 . . . . 22 PHE HB2 . 4973 1 261 . 1 1 22 22 PHE HB3 H 1 3.57 0.02 . 2 . . . . 22 PHE HB3 . 4973 1 262 . 1 1 22 22 PHE HD1 H 1 7.19 0.02 . 1 . . . . 22 PHE HD . 4973 1 263 . 1 1 22 22 PHE HD2 H 1 7.19 0.02 . 1 . . . . 22 PHE HD . 4973 1 264 . 1 1 22 22 PHE HE1 H 1 6.67 0.02 . 1 . . . . 22 PHE HE . 4973 1 265 . 1 1 22 22 PHE HE2 H 1 6.67 0.02 . 1 . . . . 22 PHE HE . 4973 1 266 . 1 1 22 22 PHE HZ H 1 6.88 0.02 . 1 . . . . 22 PHE HZ . 4973 1 267 . 1 1 22 22 PHE C C 13 175.38 0.05 . 1 . . . . 22 PHE C . 4973 1 268 . 1 1 22 22 PHE CA C 13 55.85 0.05 . 1 . . . . 22 PHE CA . 4973 1 269 . 1 1 22 22 PHE CB C 13 41.15 0.05 . 1 . . . . 22 PHE CB . 4973 1 270 . 1 1 22 22 PHE CD1 C 13 130.63 0.05 . 1 . . . . 22 PHE CD1 . 4973 1 271 . 1 1 22 22 PHE CD2 C 13 130.63 0.05 . 1 . . . . 22 PHE CD2 . 4973 1 272 . 1 1 22 22 PHE CE1 C 13 130.37 0.05 . 1 . . . . 22 PHE CE1 . 4973 1 273 . 1 1 22 22 PHE CE2 C 13 130.37 0.05 . 1 . . . . 22 PHE CE2 . 4973 1 274 . 1 1 22 22 PHE N N 15 117.53 0.1 . 1 . . . . 22 PHE N . 4973 1 275 . 1 1 23 23 LYS H H 1 8.28 0.02 . 1 . . . . 23 LYS HN . 4973 1 276 . 1 1 23 23 LYS HA H 1 4.51 0.02 . 1 . . . . 23 LYS HA . 4973 1 277 . 1 1 23 23 LYS HB2 H 1 0.85 0.02 . 2 . . . . 23 LYS HB2 . 4973 1 278 . 1 1 23 23 LYS HB3 H 1 1.61 0.02 . 2 . . . . 23 LYS HB3 . 4973 1 279 . 1 1 23 23 LYS HD2 H 1 1.77 0.02 . 1 . . . . 23 LYS HD . 4973 1 280 . 1 1 23 23 LYS HD3 H 1 1.77 0.02 . 1 . . . . 23 LYS HD . 4973 1 281 . 1 1 23 23 LYS HE2 H 1 3.04 0.02 . 2 . . . . 23 LYS HE2 . 4973 1 282 . 1 1 23 23 LYS HE3 H 1 2.97 0.02 . 2 . . . . 23 LYS HE3 . 4973 1 283 . 1 1 23 23 LYS HG2 H 1 1.38 0.02 . 1 . . . . 23 LYS HG . 4973 1 284 . 1 1 23 23 LYS HG3 H 1 1.38 0.02 . 1 . . . . 23 LYS HG . 4973 1 285 . 1 1 23 23 LYS C C 13 173.84 0.05 . 1 . . . . 23 LYS C . 4973 1 286 . 1 1 23 23 LYS CA C 13 55.03 0.05 . 1 . . . . 23 LYS CA . 4973 1 287 . 1 1 23 23 LYS CB C 13 35.24 0.05 . 1 . . . . 23 LYS CB . 4973 1 288 . 1 1 23 23 LYS CD C 13 29.10 0.05 . 1 . . . . 23 LYS CD . 4973 1 289 . 1 1 23 23 LYS CE C 13 42.20 0.05 . 1 . . . . 23 LYS CE . 4973 1 290 . 1 1 23 23 LYS CG C 13 26.03 0.05 . 1 . . . . 23 LYS CG . 4973 1 291 . 1 1 23 23 LYS N N 15 120.42 0.1 . 1 . . . . 23 LYS N . 4973 1 292 . 1 1 24 24 LYS H H 1 7.95 0.02 . 1 . . . . 24 LYS HN . 4973 1 293 . 1 1 24 24 LYS HA H 1 5.34 0.02 . 1 . . . . 24 LYS HA . 4973 1 294 . 1 1 24 24 LYS HB2 H 1 1.37 0.02 . 2 . . . . 24 LYS HB2 . 4973 1 295 . 1 1 24 24 LYS HB3 H 1 1.58 0.02 . 2 . . . . 24 LYS HB3 . 4973 1 296 . 1 1 24 24 LYS HD2 H 1 1.43 0.02 . 2 . . . . 24 LYS HD2 . 4973 1 297 . 1 1 24 24 LYS HD3 H 1 1.44 0.02 . 2 . . . . 24 LYS HD3 . 4973 1 298 . 1 1 24 24 LYS HE2 H 1 2.63 0.02 . 2 . . . . 24 LYS HE2 . 4973 1 299 . 1 1 24 24 LYS HE3 H 1 2.82 0.02 . 2 . . . . 24 LYS HE3 . 4973 1 300 . 1 1 24 24 LYS HG2 H 1 0.68 0.02 . 2 . . . . 24 LYS HG2 . 4973 1 301 . 1 1 24 24 LYS HG3 H 1 1.05 0.02 . 2 . . . . 24 LYS HG3 . 4973 1 302 . 1 1 24 24 LYS C C 13 177.33 0.05 . 1 . . . . 24 LYS C . 4973 1 303 . 1 1 24 24 LYS CA C 13 54.14 0.05 . 1 . . . . 24 LYS CA . 4973 1 304 . 1 1 24 24 LYS CB C 13 36.77 0.05 . 1 . . . . 24 LYS CB . 4973 1 305 . 1 1 24 24 LYS CD C 13 29.39 0.05 . 1 . . . . 24 LYS CD . 4973 1 306 . 1 1 24 24 LYS CE C 13 42.01 0.05 . 1 . . . . 24 LYS CE . 4973 1 307 . 1 1 24 24 LYS CG C 13 23.88 0.05 . 1 . . . . 24 LYS CG . 4973 1 308 . 1 1 24 24 LYS N N 15 118.49 0.1 . 1 . . . . 24 LYS N . 4973 1 309 . 1 1 25 25 SER H H 1 8.79 0.02 . 1 . . . . 25 SER HN . 4973 1 310 . 1 1 25 25 SER HA H 1 4.66 0.02 . 1 . . . . 25 SER HA . 4973 1 311 . 1 1 25 25 SER HB2 H 1 3.86 0.02 . 2 . . . . 25 SER HB2 . 4973 1 312 . 1 1 25 25 SER HB3 H 1 3.94 0.02 . 2 . . . . 25 SER HB3 . 4973 1 313 . 1 1 25 25 SER C C 13 173.61 0.05 . 1 . . . . 25 SER C . 4973 1 314 . 1 1 25 25 SER CA C 13 56.67 0.05 . 1 . . . . 25 SER CA . 4973 1 315 . 1 1 25 25 SER CB C 13 64.42 0.05 . 1 . . . . 25 SER CB . 4973 1 316 . 1 1 25 25 SER N N 15 118.17 0.1 . 1 . . . . 25 SER N . 4973 1 317 . 1 1 26 26 SER H H 1 8.23 0.02 . 1 . . . . 26 SER HN . 4973 1 318 . 1 1 26 26 SER HA H 1 4.84 0.02 . 1 . . . . 26 SER HA . 4973 1 319 . 1 1 26 26 SER HB2 H 1 4.03 0.02 . 1 . . . . 26 SER HB . 4973 1 320 . 1 1 26 26 SER HB3 H 1 4.03 0.02 . 1 . . . . 26 SER HB . 4973 1 321 . 1 1 26 26 SER C C 13 173.01 0.05 . 1 . . . . 26 SER C . 4973 1 322 . 1 1 26 26 SER CA C 13 58.31 0.05 . 1 . . . . 26 SER CA . 4973 1 323 . 1 1 26 26 SER CB C 13 63.99 0.05 . 1 . . . . 26 SER CB . 4973 1 324 . 1 1 26 26 SER N N 15 115.28 0.1 . 1 . . . . 26 SER N . 4973 1 325 . 1 1 27 27 ASP H H 1 7.80 0.02 . 1 . . . . 27 ASP HN . 4973 1 326 . 1 1 27 27 ASP HA H 1 4.75 0.02 . 1 . . . . 27 ASP HA . 4973 1 327 . 1 1 27 27 ASP HB2 H 1 2.47 0.02 . 2 . . . . 27 ASP HB2 . 4973 1 328 . 1 1 27 27 ASP HB3 H 1 2.68 0.02 . 2 . . . . 27 ASP HB3 . 4973 1 329 . 1 1 27 27 ASP C C 13 175.52 0.05 . 1 . . . . 27 ASP C . 4973 1 330 . 1 1 27 27 ASP CA C 13 53.18 0.05 . 1 . . . . 27 ASP CA . 4973 1 331 . 1 1 27 27 ASP CB C 13 43.77 0.05 . 1 . . . . 27 ASP CB . 4973 1 332 . 1 1 27 27 ASP CG C 13 180.24 0.05 . 1 . . . . 27 ASP CG . 4973 1 333 . 1 1 27 27 ASP N N 15 120.74 0.1 . 1 . . . . 27 ASP N . 4973 1 334 . 1 1 28 28 LEU H H 1 8.64 0.02 . 1 . . . . 28 LEU HN . 4973 1 335 . 1 1 28 28 LEU HA H 1 4.35 0.02 . 1 . . . . 28 LEU HA . 4973 1 336 . 1 1 28 28 LEU HB2 H 1 1.35 0.02 . 2 . . . . 28 LEU HB2 . 4973 1 337 . 1 1 28 28 LEU HB3 H 1 1.61 0.02 . 2 . . . . 28 LEU HB3 . 4973 1 338 . 1 1 28 28 LEU HD11 H 1 0.68 0.02 . 2 . . . . 28 LEU HD1 . 4973 1 339 . 1 1 28 28 LEU HD12 H 1 0.68 0.02 . 2 . . . . 28 LEU HD1 . 4973 1 340 . 1 1 28 28 LEU HD13 H 1 0.68 0.02 . 2 . . . . 28 LEU HD1 . 4973 1 341 . 1 1 28 28 LEU HD21 H 1 0.66 0.02 . 2 . . . . 28 LEU HD2 . 4973 1 342 . 1 1 28 28 LEU HD22 H 1 0.66 0.02 . 2 . . . . 28 LEU HD2 . 4973 1 343 . 1 1 28 28 LEU HD23 H 1 0.66 0.02 . 2 . . . . 28 LEU HD2 . 4973 1 344 . 1 1 28 28 LEU HG H 1 1.22 0.02 . 1 . . . . 28 LEU HG . 4973 1 345 . 1 1 28 28 LEU C C 13 178.39 0.05 . 1 . . . . 28 LEU C . 4973 1 346 . 1 1 28 28 LEU CA C 13 57.76 0.05 . 1 . . . . 28 LEU CA . 4973 1 347 . 1 1 28 28 LEU CB C 13 41.47 0.05 . 1 . . . . 28 LEU CB . 4973 1 348 . 1 1 28 28 LEU CD1 C 13 24.20 0.05 . 2 . . . . 28 LEU CD1 . 4973 1 349 . 1 1 28 28 LEU CD2 C 13 23.60 0.05 . 2 . . . . 28 LEU CD2 . 4973 1 350 . 1 1 28 28 LEU CG C 13 26.55 0.05 . 1 . . . . 28 LEU CG . 4973 1 351 . 1 1 28 28 LEU N N 15 128.45 0.1 . 1 . . . . 28 LEU N . 4973 1 352 . 1 1 29 29 ASP H H 1 8.09 0.02 . 1 . . . . 29 ASP HN . 4973 1 353 . 1 1 29 29 ASP HA H 1 4.36 0.02 . 1 . . . . 29 ASP HA . 4973 1 354 . 1 1 29 29 ASP HB2 H 1 2.56 0.02 . 2 . . . . 29 ASP HB2 . 4973 1 355 . 1 1 29 29 ASP HB3 H 1 2.66 0.02 . 2 . . . . 29 ASP HB3 . 4973 1 356 . 1 1 29 29 ASP C C 13 178.49 0.05 . 1 . . . . 29 ASP C . 4973 1 357 . 1 1 29 29 ASP CA C 13 57.62 0.05 . 1 . . . . 29 ASP CA . 4973 1 358 . 1 1 29 29 ASP CB C 13 40.93 0.05 . 1 . . . . 29 ASP CB . 4973 1 359 . 1 1 29 29 ASP CG C 13 180.60 0.05 . 1 . . . . 29 ASP CG . 4973 1 360 . 1 1 29 29 ASP N N 15 116.88 0.1 . 1 . . . . 29 ASP N . 4973 1 361 . 1 1 30 30 GLU H H 1 7.82 0.02 . 1 . . . . 30 GLU HN . 4973 1 362 . 1 1 30 30 GLU HA H 1 4.02 0.02 . 1 . . . . 30 GLU HA . 4973 1 363 . 1 1 30 30 GLU HB2 H 1 2.13 0.02 . 2 . . . . 30 GLU HB2 . 4973 1 364 . 1 1 30 30 GLU HB3 H 1 2.38 0.02 . 2 . . . . 30 GLU HB3 . 4973 1 365 . 1 1 30 30 GLU HG2 H 1 2.27 0.02 . 1 . . . . 30 GLU HG . 4973 1 366 . 1 1 30 30 GLU HG3 H 1 2.27 0.02 . 1 . . . . 30 GLU HG . 4973 1 367 . 1 1 30 30 GLU C C 13 177.98 0.05 . 1 . . . . 30 GLU C . 4973 1 368 . 1 1 30 30 GLU CA C 13 59.13 0.05 . 1 . . . . 30 GLU CA . 4973 1 369 . 1 1 30 30 GLU CB C 13 28.90 0.05 . 1 . . . . 30 GLU CB . 4973 1 370 . 1 1 30 30 GLU CG C 13 36.25 0.05 . 1 . . . . 30 GLU CG . 4973 1 371 . 1 1 30 30 GLU N N 15 119.78 0.1 . 1 . . . . 30 GLU N . 4973 1 372 . 1 1 31 31 CYS H H 1 8.28 0.02 . 1 . . . . 31 CYS HN . 4973 1 373 . 1 1 31 31 CYS HA H 1 3.53 0.02 . 1 . . . . 31 CYS HA . 4973 1 374 . 1 1 31 31 CYS HB2 H 1 3.13 0.02 . 2 . . . . 31 CYS HB2 . 4973 1 375 . 1 1 31 31 CYS HB3 H 1 3.40 0.02 . 2 . . . . 31 CYS HB3 . 4973 1 376 . 1 1 31 31 CYS C C 13 175.69 0.05 . 1 . . . . 31 CYS C . 4973 1 377 . 1 1 31 31 CYS CA C 13 61.72 0.05 . 1 . . . . 31 CYS CA . 4973 1 378 . 1 1 31 31 CYS CB C 13 45.63 0.05 . 1 . . . . 31 CYS CB . 4973 1 379 . 1 1 31 31 CYS N N 15 117.21 0.1 . 1 . . . . 31 CYS N . 4973 1 380 . 1 1 32 32 LYS H H 1 7.90 0.02 . 1 . . . . 32 LYS HN . 4973 1 381 . 1 1 32 32 LYS HA H 1 3.37 0.02 . 1 . . . . 32 LYS HA . 4973 1 382 . 1 1 32 32 LYS HB2 H 1 1.56 0.02 . 2 . . . . 32 LYS HB2 . 4973 1 383 . 1 1 32 32 LYS HB3 H 1 1.77 0.02 . 2 . . . . 32 LYS HB3 . 4973 1 384 . 1 1 32 32 LYS HD2 H 1 0.63 0.02 . 2 . . . . 32 LYS HD2 . 4973 1 385 . 1 1 32 32 LYS HD3 H 1 1.10 0.02 . 2 . . . . 32 LYS HD3 . 4973 1 386 . 1 1 32 32 LYS HE2 H 1 1.84 0.02 . 2 . . . . 32 LYS HE2 . 4973 1 387 . 1 1 32 32 LYS HE3 H 1 1.90 0.02 . 2 . . . . 32 LYS HE3 . 4973 1 388 . 1 1 32 32 LYS HG2 H 1 -0.98 0.02 . 2 . . . . 32 LYS HG2 . 4973 1 389 . 1 1 32 32 LYS HG3 H 1 0.87 0.02 . 2 . . . . 32 LYS HG3 . 4973 1 390 . 1 1 32 32 LYS C C 13 180.72 0.05 . 1 . . . . 32 LYS C . 4973 1 391 . 1 1 32 32 LYS CA C 13 60.42 0.05 . 1 . . . . 32 LYS CA . 4973 1 392 . 1 1 32 32 LYS CB C 13 32.95 0.05 . 1 . . . . 32 LYS CB . 4973 1 393 . 1 1 32 32 LYS CD C 13 29.84 0.05 . 1 . . . . 32 LYS CD . 4973 1 394 . 1 1 32 32 LYS CE C 13 41.52 0.05 . 1 . . . . 32 LYS CE . 4973 1 395 . 1 1 32 32 LYS CG C 13 25.35 0.05 . 1 . . . . 32 LYS CG . 4973 1 396 . 1 1 32 32 LYS N N 15 118.17 0.1 . 1 . . . . 32 LYS N . 4973 1 397 . 1 1 33 33 LYS H H 1 8.29 0.02 . 1 . . . . 33 LYS HN . 4973 1 398 . 1 1 33 33 LYS HA H 1 3.88 0.02 . 1 . . . . 33 LYS HA . 4973 1 399 . 1 1 33 33 LYS HB2 H 1 1.82 0.02 . 1 . . . . 33 LYS HB . 4973 1 400 . 1 1 33 33 LYS HB3 H 1 1.82 0.02 . 1 . . . . 33 LYS HB . 4973 1 401 . 1 1 33 33 LYS HD2 H 1 1.59 0.02 . 1 . . . . 33 LYS HD . 4973 1 402 . 1 1 33 33 LYS HD3 H 1 1.59 0.02 . 1 . . . . 33 LYS HD . 4973 1 403 . 1 1 33 33 LYS HE2 H 1 2.86 0.02 . 1 . . . . 33 LYS HE . 4973 1 404 . 1 1 33 33 LYS HE3 H 1 2.86 0.02 . 1 . . . . 33 LYS HE . 4973 1 405 . 1 1 33 33 LYS HG2 H 1 1.38 0.02 . 2 . . . . 33 LYS HG2 . 4973 1 406 . 1 1 33 33 LYS HG3 H 1 1.59 0.02 . 2 . . . . 33 LYS HG3 . 4973 1 407 . 1 1 33 33 LYS C C 13 180.42 0.05 . 1 . . . . 33 LYS C . 4973 1 408 . 1 1 33 33 LYS CA C 13 59.74 0.05 . 1 . . . . 33 LYS CA . 4973 1 409 . 1 1 33 33 LYS CB C 13 32.51 0.05 . 1 . . . . 33 LYS CB . 4973 1 410 . 1 1 33 33 LYS CD C 13 29.17 0.05 . 1 . . . . 33 LYS CD . 4973 1 411 . 1 1 33 33 LYS CE C 13 42.05 0.05 . 1 . . . . 33 LYS CE . 4973 1 412 . 1 1 33 33 LYS CG C 13 25.65 0.05 . 1 . . . . 33 LYS CG . 4973 1 413 . 1 1 33 33 LYS N N 15 117.21 0.1 . 1 . . . . 33 LYS N . 4973 1 414 . 1 1 34 34 THR H H 1 8.29 0.02 . 1 . . . . 34 THR HN . 4973 1 415 . 1 1 34 34 THR HA H 1 3.79 0.02 . 1 . . . . 34 THR HA . 4973 1 416 . 1 1 34 34 THR HB H 1 3.46 0.02 . 1 . . . . 34 THR HB . 4973 1 417 . 1 1 34 34 THR HG21 H 1 1.00 0.02 . 1 . . . . 34 THR HG2 . 4973 1 418 . 1 1 34 34 THR HG22 H 1 1.00 0.02 . 1 . . . . 34 THR HG2 . 4973 1 419 . 1 1 34 34 THR HG23 H 1 1.00 0.02 . 1 . . . . 34 THR HG2 . 4973 1 420 . 1 1 34 34 THR C C 13 178.27 0.05 . 1 . . . . 34 THR C . 4973 1 421 . 1 1 34 34 THR CA C 13 66.50 0.05 . 1 . . . . 34 THR CA . 4973 1 422 . 1 1 34 34 THR CB C 13 67.81 0.05 . 1 . . . . 34 THR CB . 4973 1 423 . 1 1 34 34 THR CG2 C 13 21.31 0.05 . 1 . . . . 34 THR CG2 . 4973 1 424 . 1 1 34 34 THR N N 15 114.96 0.1 . 1 . . . . 34 THR N . 4973 1 425 . 1 1 35 35 CYS H H 1 8.39 0.02 . 1 . . . . 35 CYS HN . 4973 1 426 . 1 1 35 35 CYS HA H 1 4.15 0.02 . 1 . . . . 35 CYS HA . 4973 1 427 . 1 1 35 35 CYS HB2 H 1 3.12 0.02 . 2 . . . . 35 CYS HB2 . 4973 1 428 . 1 1 35 35 CYS HB3 H 1 3.15 0.02 . 2 . . . . 35 CYS HB3 . 4973 1 429 . 1 1 35 35 CYS C C 13 176.66 0.05 . 1 . . . . 35 CYS C . 4973 1 430 . 1 1 35 35 CYS CA C 13 58.44 0.05 . 1 . . . . 35 CYS CA . 4973 1 431 . 1 1 35 35 CYS CB C 13 39.62 0.05 . 1 . . . . 35 CYS CB . 4973 1 432 . 1 1 35 35 CYS N N 15 124.27 0.1 . 1 . . . . 35 CYS N . 4973 1 433 . 1 1 36 36 PHE H H 1 8.07 0.02 . 1 . . . . 36 PHE HN . 4973 1 434 . 1 1 36 36 PHE HA H 1 4.32 0.02 . 1 . . . . 36 PHE HA . 4973 1 435 . 1 1 36 36 PHE HB2 H 1 3.19 0.02 . 2 . . . . 36 PHE HB2 . 4973 1 436 . 1 1 36 36 PHE HB3 H 1 3.28 0.02 . 2 . . . . 36 PHE HB3 . 4973 1 437 . 1 1 36 36 PHE HD1 H 1 7.22 0.02 . 1 . . . . 36 PHE HD . 4973 1 438 . 1 1 36 36 PHE HD2 H 1 7.22 0.02 . 1 . . . . 36 PHE HD . 4973 1 439 . 1 1 36 36 PHE HE1 H 1 7.33 0.02 . 1 . . . . 36 PHE HE . 4973 1 440 . 1 1 36 36 PHE HE2 H 1 7.33 0.02 . 1 . . . . 36 PHE HE . 4973 1 441 . 1 1 36 36 PHE HZ H 1 7.20 0.02 . 1 . . . . 36 PHE HZ . 4973 1 442 . 1 1 36 36 PHE C C 13 175.62 0.05 . 1 . . . . 36 PHE C . 4973 1 443 . 1 1 36 36 PHE CA C 13 60.49 0.05 . 1 . . . . 36 PHE CA . 4973 1 444 . 1 1 36 36 PHE CB C 13 39.62 0.05 . 1 . . . . 36 PHE CB . 4973 1 445 . 1 1 36 36 PHE CD1 C 13 131.34 0.05 . 1 . . . . 36 PHE CD1 . 4973 1 446 . 1 1 36 36 PHE CD2 C 13 131.34 0.05 . 1 . . . . 36 PHE CD2 . 4973 1 447 . 1 1 36 36 PHE CE1 C 13 131.48 0.05 . 1 . . . . 36 PHE CE1 . 4973 1 448 . 1 1 36 36 PHE CE2 C 13 131.48 0.05 . 1 . . . . 36 PHE CE2 . 4973 1 449 . 1 1 36 36 PHE N N 15 116.24 0.1 . 1 . . . . 36 PHE N . 4973 1 450 . 1 1 37 37 LYS H H 1 7.06 0.02 . 1 . . . . 37 LYS HN . 4973 1 451 . 1 1 37 37 LYS HA H 1 4.37 0.02 . 1 . . . . 37 LYS HA . 4973 1 452 . 1 1 37 37 LYS HB2 H 1 1.86 0.02 . 2 . . . . 37 LYS HB2 . 4973 1 453 . 1 1 37 37 LYS HB3 H 1 2.08 0.02 . 2 . . . . 37 LYS HB3 . 4973 1 454 . 1 1 37 37 LYS HD2 H 1 1.72 0.02 . 1 . . . . 37 LYS HD . 4973 1 455 . 1 1 37 37 LYS HD3 H 1 1.72 0.02 . 1 . . . . 37 LYS HD . 4973 1 456 . 1 1 37 37 LYS HE2 H 1 3.01 0.02 . 1 . . . . 37 LYS HE . 4973 1 457 . 1 1 37 37 LYS HE3 H 1 3.01 0.02 . 1 . . . . 37 LYS HE . 4973 1 458 . 1 1 37 37 LYS HG2 H 1 1.64 0.02 . 1 . . . . 37 LYS HG . 4973 1 459 . 1 1 37 37 LYS HG3 H 1 1.64 0.02 . 1 . . . . 37 LYS HG . 4973 1 460 . 1 1 37 37 LYS C C 13 176.02 0.05 . 1 . . . . 37 LYS C . 4973 1 461 . 1 1 37 37 LYS CA C 13 54.96 0.05 . 1 . . . . 37 LYS CA . 4973 1 462 . 1 1 37 37 LYS CB C 13 32.95 0.05 . 1 . . . . 37 LYS CB . 4973 1 463 . 1 1 37 37 LYS CD C 13 28.81 0.05 . 1 . . . . 37 LYS CD . 4973 1 464 . 1 1 37 37 LYS CE C 13 41.94 0.05 . 1 . . . . 37 LYS CE . 4973 1 465 . 1 1 37 37 LYS CG C 13 24.40 0.05 . 1 . . . . 37 LYS CG . 4973 1 466 . 1 1 37 37 LYS N N 15 113.03 0.1 . 1 . . . . 37 LYS N . 4973 1 467 . 1 1 38 38 THR H H 1 7.89 0.02 . 1 . . . . 38 THR HN . 4973 1 468 . 1 1 38 38 THR HA H 1 4.31 0.02 . 1 . . . . 38 THR HA . 4973 1 469 . 1 1 38 38 THR HB H 1 4.27 0.02 . 1 . . . . 38 THR HB . 4973 1 470 . 1 1 38 38 THR HG21 H 1 1.22 0.02 . 1 . . . . 38 THR HG2 . 4973 1 471 . 1 1 38 38 THR HG22 H 1 1.22 0.02 . 1 . . . . 38 THR HG2 . 4973 1 472 . 1 1 38 38 THR HG23 H 1 1.22 0.02 . 1 . . . . 38 THR HG2 . 4973 1 473 . 1 1 38 38 THR C C 13 173.69 0.05 . 1 . . . . 38 THR C . 4973 1 474 . 1 1 38 38 THR CA C 13 62.95 0.05 . 1 . . . . 38 THR CA . 4973 1 475 . 1 1 38 38 THR CB C 13 70.32 0.05 . 1 . . . . 38 THR CB . 4973 1 476 . 1 1 38 38 THR CG2 C 13 21.24 0.05 . 1 . . . . 38 THR CG2 . 4973 1 477 . 1 1 38 38 THR N N 15 120.10 0.1 . 1 . . . . 38 THR N . 4973 1 478 . 1 1 39 39 GLU H H 1 8.79 0.02 . 1 . . . . 39 GLU HN . 4973 1 479 . 1 1 39 39 GLU HA H 1 3.68 0.02 . 1 . . . . 39 GLU HA . 4973 1 480 . 1 1 39 39 GLU HB2 H 1 1.47 0.02 . 2 . . . . 39 GLU HB2 . 4973 1 481 . 1 1 39 39 GLU HB3 H 1 1.71 0.02 . 2 . . . . 39 GLU HB3 . 4973 1 482 . 1 1 39 39 GLU HG2 H 1 1.35 0.02 . 2 . . . . 39 GLU HG2 . 4973 1 483 . 1 1 39 39 GLU HG3 H 1 1.71 0.02 . 2 . . . . 39 GLU HG3 . 4973 1 484 . 1 1 39 39 GLU C C 13 176.45 0.05 . 1 . . . . 39 GLU C . 4973 1 485 . 1 1 39 39 GLU CA C 13 58.58 0.05 . 1 . . . . 39 GLU CA . 4973 1 486 . 1 1 39 39 GLU CB C 13 29.01 0.05 . 1 . . . . 39 GLU CB . 4973 1 487 . 1 1 39 39 GLU CG C 13 35.00 0.05 . 1 . . . . 39 GLU CG . 4973 1 488 . 1 1 39 39 GLU N N 15 131.02 0.1 . 1 . . . . 39 GLU N . 4973 1 489 . 1 1 40 40 TYR H H 1 8.29 0.02 . 1 . . . . 40 TYR HN . 4973 1 490 . 1 1 40 40 TYR HA H 1 4.21 0.02 . 1 . . . . 40 TYR HA . 4973 1 491 . 1 1 40 40 TYR HB2 H 1 3.00 0.02 . 2 . . . . 40 TYR HB2 . 4973 1 492 . 1 1 40 40 TYR HB3 H 1 3.14 0.02 . 2 . . . . 40 TYR HB3 . 4973 1 493 . 1 1 40 40 TYR HD1 H 1 7.11 0.02 . 1 . . . . 40 TYR HD . 4973 1 494 . 1 1 40 40 TYR HD2 H 1 7.11 0.02 . 1 . . . . 40 TYR HD . 4973 1 495 . 1 1 40 40 TYR HE1 H 1 6.83 0.02 . 1 . . . . 40 TYR HE . 4973 1 496 . 1 1 40 40 TYR HE2 H 1 6.83 0.02 . 1 . . . . 40 TYR HE . 4973 1 497 . 1 1 40 40 TYR C C 13 176.52 0.05 . 1 . . . . 40 TYR C . 4973 1 498 . 1 1 40 40 TYR CA C 13 60.36 0.05 . 1 . . . . 40 TYR CA . 4973 1 499 . 1 1 40 40 TYR CB C 13 37.43 0.05 . 1 . . . . 40 TYR CB . 4973 1 500 . 1 1 40 40 TYR CD1 C 13 131.65 0.05 . 1 . . . . 40 TYR CD1 . 4973 1 501 . 1 1 40 40 TYR CD2 C 13 131.65 0.05 . 1 . . . . 40 TYR CD2 . 4973 1 502 . 1 1 40 40 TYR CE1 C 13 118.31 0.05 . 1 . . . . 40 TYR CE1 . 4973 1 503 . 1 1 40 40 TYR CE2 C 13 118.31 0.05 . 1 . . . . 40 TYR CE2 . 4973 1 504 . 1 1 40 40 TYR N N 15 114.32 0.1 . 1 . . . . 40 TYR N . 4973 1 505 . 1 1 41 41 CYS H H 1 8.04 0.02 . 1 . . . . 41 CYS HN . 4973 1 506 . 1 1 41 41 CYS HA H 1 4.33 0.02 . 1 . . . . 41 CYS HA . 4973 1 507 . 1 1 41 41 CYS HB2 H 1 3.49 0.02 . 2 . . . . 41 CYS HB2 . 4973 1 508 . 1 1 41 41 CYS HB3 H 1 4.17 0.02 . 2 . . . . 41 CYS HB3 . 4973 1 509 . 1 1 41 41 CYS C C 13 175.10 0.05 . 1 . . . . 41 CYS C . 4973 1 510 . 1 1 41 41 CYS CA C 13 59.26 0.05 . 1 . . . . 41 CYS CA . 4973 1 511 . 1 1 41 41 CYS CB C 13 43.77 0.05 . 1 . . . . 41 CYS CB . 4973 1 512 . 1 1 41 41 CYS N N 15 121.38 0.1 . 1 . . . . 41 CYS N . 4973 1 513 . 1 1 42 42 TYR H H 1 9.88 0.02 . 1 . . . . 42 TYR HN . 4973 1 514 . 1 1 42 42 TYR HA H 1 4.92 0.02 . 1 . . . . 42 TYR HA . 4973 1 515 . 1 1 42 42 TYR HB2 H 1 3.14 0.02 . 2 . . . . 42 TYR HB2 . 4973 1 516 . 1 1 42 42 TYR HB3 H 1 3.46 0.02 . 2 . . . . 42 TYR HB3 . 4973 1 517 . 1 1 42 42 TYR HD1 H 1 7.40 0.02 . 1 . . . . 42 TYR HD . 4973 1 518 . 1 1 42 42 TYR HD2 H 1 7.40 0.02 . 1 . . . . 42 TYR HD . 4973 1 519 . 1 1 42 42 TYR HE1 H 1 6.67 0.02 . 1 . . . . 42 TYR HE . 4973 1 520 . 1 1 42 42 TYR HE2 H 1 6.67 0.02 . 1 . . . . 42 TYR HE . 4973 1 521 . 1 1 42 42 TYR C C 13 171.11 0.05 . 1 . . . . 42 TYR C . 4973 1 522 . 1 1 42 42 TYR CA C 13 58.79 0.05 . 1 . . . . 42 TYR CA . 4973 1 523 . 1 1 42 42 TYR CB C 13 38.96 0.05 . 1 . . . . 42 TYR CB . 4973 1 524 . 1 1 42 42 TYR N N 15 125.88 0.1 . 1 . . . . 42 TYR N . 4973 1 525 . 1 1 43 43 ILE H H 1 8.15 0.02 . 1 . . . . 43 ILE HN . 4973 1 526 . 1 1 43 43 ILE HA H 1 5.02 0.02 . 1 . . . . 43 ILE HA . 4973 1 527 . 1 1 43 43 ILE HB H 1 1.48 0.02 . 1 . . . . 43 ILE HB . 4973 1 528 . 1 1 43 43 ILE HD11 H 1 0.74 0.02 . 1 . . . . 43 ILE HD1 . 4973 1 529 . 1 1 43 43 ILE HD12 H 1 0.74 0.02 . 1 . . . . 43 ILE HD1 . 4973 1 530 . 1 1 43 43 ILE HD13 H 1 0.74 0.02 . 1 . . . . 43 ILE HD1 . 4973 1 531 . 1 1 43 43 ILE HG12 H 1 0.23 0.02 . 2 . . . . 43 ILE HG12 . 4973 1 532 . 1 1 43 43 ILE HG13 H 1 0.31 0.02 . 2 . . . . 43 ILE HG13 . 4973 1 533 . 1 1 43 43 ILE HG21 H 1 0.44 0.02 . 1 . . . . 43 ILE HG2 . 4973 1 534 . 1 1 43 43 ILE HG22 H 1 0.44 0.02 . 1 . . . . 43 ILE HG2 . 4973 1 535 . 1 1 43 43 ILE HG23 H 1 0.44 0.02 . 1 . . . . 43 ILE HG2 . 4973 1 536 . 1 1 43 43 ILE C C 13 175.27 0.05 . 1 . . . . 43 ILE C . 4973 1 537 . 1 1 43 43 ILE CA C 13 60.56 0.05 . 1 . . . . 43 ILE CA . 4973 1 538 . 1 1 43 43 ILE CB C 13 41.91 0.05 . 1 . . . . 43 ILE CB . 4973 1 539 . 1 1 43 43 ILE CD1 C 13 14.35 0.05 . 1 . . . . 43 ILE CD1 . 4973 1 540 . 1 1 43 43 ILE CG1 C 13 25.70 0.05 . 1 . . . . 43 ILE CG1 . 4973 1 541 . 1 1 43 43 ILE CG2 C 13 17.72 0.05 . 1 . . . . 43 ILE CG2 . 4973 1 542 . 1 1 43 43 ILE N N 15 121.38 0.1 . 1 . . . . 43 ILE N . 4973 1 543 . 1 1 44 44 VAL H H 1 8.80 0.02 . 1 . . . . 44 VAL HN . 4973 1 544 . 1 1 44 44 VAL HA H 1 5.39 0.02 . 1 . . . . 44 VAL HA . 4973 1 545 . 1 1 44 44 VAL HB H 1 1.38 0.02 . 1 . . . . 44 VAL HB . 4973 1 546 . 1 1 44 44 VAL HG11 H 1 0.63 0.02 . 2 . . . . 44 VAL HG1 . 4973 1 547 . 1 1 44 44 VAL HG12 H 1 0.63 0.02 . 2 . . . . 44 VAL HG1 . 4973 1 548 . 1 1 44 44 VAL HG13 H 1 0.63 0.02 . 2 . . . . 44 VAL HG1 . 4973 1 549 . 1 1 44 44 VAL HG21 H 1 0.63 0.02 . 2 . . . . 44 VAL HG2 . 4973 1 550 . 1 1 44 44 VAL HG22 H 1 0.63 0.02 . 2 . . . . 44 VAL HG2 . 4973 1 551 . 1 1 44 44 VAL HG23 H 1 0.63 0.02 . 2 . . . . 44 VAL HG2 . 4973 1 552 . 1 1 44 44 VAL C C 13 177.52 0.05 . 1 . . . . 44 VAL C . 4973 1 553 . 1 1 44 44 VAL CA C 13 60.08 0.05 . 1 . . . . 44 VAL CA . 4973 1 554 . 1 1 44 44 VAL CB C 13 35.68 0.05 . 1 . . . . 44 VAL CB . 4973 1 555 . 1 1 44 44 VAL CG1 C 13 23.78 0.05 . 2 . . . . 44 VAL CG1 . 4973 1 556 . 1 1 44 44 VAL CG2 C 13 21.98 0.05 . 2 . . . . 44 VAL CG2 . 4973 1 557 . 1 1 44 44 VAL N N 15 121.06 0.1 . 1 . . . . 44 VAL N . 4973 1 558 . 1 1 45 45 PHE H H 1 10.04 0.02 . 1 . . . . 45 PHE HN . 4973 1 559 . 1 1 45 45 PHE HA H 1 6.27 0.02 . 1 . . . . 45 PHE HA . 4973 1 560 . 1 1 45 45 PHE HB2 H 1 3.13 0.02 . 2 . . . . 45 PHE HB2 . 4973 1 561 . 1 1 45 45 PHE HB3 H 1 3.51 0.02 . 2 . . . . 45 PHE HB3 . 4973 1 562 . 1 1 45 45 PHE HD1 H 1 7.67 0.02 . 1 . . . . 45 PHE HD . 4973 1 563 . 1 1 45 45 PHE HD2 H 1 7.67 0.02 . 1 . . . . 45 PHE HD . 4973 1 564 . 1 1 45 45 PHE HE1 H 1 7.19 0.02 . 1 . . . . 45 PHE HE . 4973 1 565 . 1 1 45 45 PHE HE2 H 1 7.19 0.02 . 1 . . . . 45 PHE HE . 4973 1 566 . 1 1 45 45 PHE HZ H 1 7.32 0.02 . 1 . . . . 45 PHE HZ . 4973 1 567 . 1 1 45 45 PHE C C 13 176.34 0.05 . 1 . . . . 45 PHE C . 4973 1 568 . 1 1 45 45 PHE CA C 13 55.98 0.05 . 1 . . . . 45 PHE CA . 4973 1 569 . 1 1 45 45 PHE CB C 13 43.77 0.05 . 1 . . . . 45 PHE CB . 4973 1 570 . 1 1 45 45 PHE CE1 C 13 130.66 0.05 . 1 . . . . 45 PHE CE1 . 4973 1 571 . 1 1 45 45 PHE CE2 C 13 130.66 0.05 . 1 . . . . 45 PHE CE2 . 4973 1 572 . 1 1 45 45 PHE N N 15 127.48 0.1 . 1 . . . . 45 PHE N . 4973 1 573 . 1 1 46 46 GLU H H 1 9.45 0.02 . 1 . . . . 46 GLU HN . 4973 1 574 . 1 1 46 46 GLU HA H 1 4.76 0.02 . 1 . . . . 46 GLU HA . 4973 1 575 . 1 1 46 46 GLU HB2 H 1 1.58 0.02 . 2 . . . . 46 GLU HB2 . 4973 1 576 . 1 1 46 46 GLU HB3 H 1 2.42 0.02 . 2 . . . . 46 GLU HB3 . 4973 1 577 . 1 1 46 46 GLU HG2 H 1 1.79 0.02 . 2 . . . . 46 GLU HG2 . 4973 1 578 . 1 1 46 46 GLU HG3 H 1 1.99 0.02 . 2 . . . . 46 GLU HG3 . 4973 1 579 . 1 1 46 46 GLU C C 13 174.47 0.05 . 1 . . . . 46 GLU C . 4973 1 580 . 1 1 46 46 GLU CA C 13 54.96 0.05 . 1 . . . . 46 GLU CA . 4973 1 581 . 1 1 46 46 GLU CB C 13 32.51 0.05 . 1 . . . . 46 GLU CB . 4973 1 582 . 1 1 46 46 GLU CG C 13 36.50 0.05 . 1 . . . . 46 GLU CG . 4973 1 583 . 1 1 46 46 GLU N N 15 122.02 0.1 . 1 . . . . 46 GLU N . 4973 1 584 . 1 1 47 47 ASP H H 1 8.82 0.02 . 1 . . . . 47 ASP HN . 4973 1 585 . 1 1 47 47 ASP HA H 1 3.60 0.02 . 1 . . . . 47 ASP HA . 4973 1 586 . 1 1 47 47 ASP HB2 H 1 2.25 0.02 . 2 . . . . 47 ASP HB2 . 4973 1 587 . 1 1 47 47 ASP HB3 H 1 2.82 0.02 . 2 . . . . 47 ASP HB3 . 4973 1 588 . 1 1 47 47 ASP C C 13 178.08 0.05 . 1 . . . . 47 ASP C . 4973 1 589 . 1 1 47 47 ASP CA C 13 51.89 0.05 . 1 . . . . 47 ASP CA . 4973 1 590 . 1 1 47 47 ASP CB C 13 41.15 0.05 . 1 . . . . 47 ASP CB . 4973 1 591 . 1 1 47 47 ASP CG C 13 180.06 0.05 . 1 . . . . 47 ASP CG . 4973 1 592 . 1 1 47 47 ASP N N 15 124.91 0.1 . 1 . . . . 47 ASP N . 4973 1 593 . 1 1 48 48 THR H H 1 8.38 0.02 . 1 . . . . 48 THR HN . 4973 1 594 . 1 1 48 48 THR HA H 1 4.00 0.02 . 1 . . . . 48 THR HA . 4973 1 595 . 1 1 48 48 THR HB H 1 4.29 0.02 . 1 . . . . 48 THR HB . 4973 1 596 . 1 1 48 48 THR HG21 H 1 1.20 0.02 . 1 . . . . 48 THR HG2 . 4973 1 597 . 1 1 48 48 THR HG22 H 1 1.20 0.02 . 1 . . . . 48 THR HG2 . 4973 1 598 . 1 1 48 48 THR HG23 H 1 1.20 0.02 . 1 . . . . 48 THR HG2 . 4973 1 599 . 1 1 48 48 THR C C 13 175.70 0.05 . 1 . . . . 48 THR C . 4973 1 600 . 1 1 48 48 THR CA C 13 63.98 0.05 . 1 . . . . 48 THR CA . 4973 1 601 . 1 1 48 48 THR CB C 13 68.90 0.05 . 1 . . . . 48 THR CB . 4973 1 602 . 1 1 48 48 THR CG2 C 13 20.95 0.05 . 1 . . . . 48 THR CG2 . 4973 1 603 . 1 1 48 48 THR N N 15 115.28 0.1 . 1 . . . . 48 THR N . 4973 1 604 . 1 1 49 49 VAL H H 1 7.97 0.02 . 1 . . . . 49 VAL HN . 4973 1 605 . 1 1 49 49 VAL HA H 1 3.88 0.02 . 1 . . . . 49 VAL HA . 4973 1 606 . 1 1 49 49 VAL HB H 1 1.96 0.02 . 1 . . . . 49 VAL HB . 4973 1 607 . 1 1 49 49 VAL HG11 H 1 0.94 0.02 . 2 . . . . 49 VAL HG1 . 4973 1 608 . 1 1 49 49 VAL HG12 H 1 0.94 0.02 . 2 . . . . 49 VAL HG1 . 4973 1 609 . 1 1 49 49 VAL HG13 H 1 0.94 0.02 . 2 . . . . 49 VAL HG1 . 4973 1 610 . 1 1 49 49 VAL HG21 H 1 0.87 0.02 . 2 . . . . 49 VAL HG2 . 4973 1 611 . 1 1 49 49 VAL HG22 H 1 0.87 0.02 . 2 . . . . 49 VAL HG2 . 4973 1 612 . 1 1 49 49 VAL HG23 H 1 0.87 0.02 . 2 . . . . 49 VAL HG2 . 4973 1 613 . 1 1 49 49 VAL C C 13 177.44 0.05 . 1 . . . . 49 VAL C . 4973 1 614 . 1 1 49 49 VAL CA C 13 64.73 0.05 . 1 . . . . 49 VAL CA . 4973 1 615 . 1 1 49 49 VAL CB C 13 32.40 0.05 . 1 . . . . 49 VAL CB . 4973 1 616 . 1 1 49 49 VAL CG1 C 13 21.76 0.05 . 2 . . . . 49 VAL CG1 . 4973 1 617 . 1 1 49 49 VAL CG2 C 13 20.41 0.05 . 2 . . . . 49 VAL CG2 . 4973 1 618 . 1 1 49 49 VAL N N 15 122.02 0.1 . 1 . . . . 49 VAL N . 4973 1 619 . 1 1 50 50 ASN H H 1 7.63 0.02 . 1 . . . . 50 ASN HN . 4973 1 620 . 1 1 50 50 ASN HA H 1 4.52 0.02 . 1 . . . . 50 ASN HA . 4973 1 621 . 1 1 50 50 ASN HB2 H 1 2.25 0.02 . 2 . . . . 50 ASN HB2 . 4973 1 622 . 1 1 50 50 ASN HB3 H 1 2.63 0.02 . 2 . . . . 50 ASN HB3 . 4973 1 623 . 1 1 50 50 ASN HD21 H 1 7.00 0.02 . 2 . . . . 50 ASN HD21 . 4973 1 624 . 1 1 50 50 ASN HD22 H 1 8.99 0.02 . 2 . . . . 50 ASN HD22 . 4973 1 625 . 1 1 50 50 ASN C C 13 174.26 0.05 . 1 . . . . 50 ASN C . 4973 1 626 . 1 1 50 50 ASN CA C 13 53.39 0.05 . 1 . . . . 50 ASN CA . 4973 1 627 . 1 1 50 50 ASN CB C 13 38.96 0.05 . 1 . . . . 50 ASN CB . 4973 1 628 . 1 1 50 50 ASN CG C 13 177.04 0.05 . 1 . . . . 50 ASN CG . 4973 1 629 . 1 1 50 50 ASN N N 15 115.60 0.1 . 1 . . . . 50 ASN N . 4973 1 630 . 1 1 50 50 ASN ND2 N 15 118.25 0.1 . 1 . . . . 50 ASN ND2 . 4973 1 631 . 1 1 51 51 LYS H H 1 7.83 0.02 . 1 . . . . 51 LYS HN . 4973 1 632 . 1 1 51 51 LYS HA H 1 3.88 0.02 . 1 . . . . 51 LYS HA . 4973 1 633 . 1 1 51 51 LYS HB2 H 1 1.85 0.02 . 2 . . . . 51 LYS HB2 . 4973 1 634 . 1 1 51 51 LYS HB3 H 1 2.06 0.02 . 2 . . . . 51 LYS HB3 . 4973 1 635 . 1 1 51 51 LYS HD2 H 1 1.59 0.02 . 2 . . . . 51 LYS HD2 . 4973 1 636 . 1 1 51 51 LYS HD3 H 1 1.55 0.02 . 2 . . . . 51 LYS HD3 . 4973 1 637 . 1 1 51 51 LYS HE2 H 1 3.00 0.02 . 1 . . . . 51 LYS HE . 4973 1 638 . 1 1 51 51 LYS HE3 H 1 3.00 0.02 . 1 . . . . 51 LYS HE . 4973 1 639 . 1 1 51 51 LYS HG2 H 1 1.19 0.02 . 2 . . . . 51 LYS HG2 . 4973 1 640 . 1 1 51 51 LYS HG3 H 1 1.31 0.02 . 2 . . . . 51 LYS HG3 . 4973 1 641 . 1 1 51 51 LYS C C 13 175.11 0.05 . 1 . . . . 51 LYS C . 4973 1 642 . 1 1 51 51 LYS CA C 13 56.46 0.05 . 1 . . . . 51 LYS CA . 4973 1 643 . 1 1 51 51 LYS CB C 13 27.92 0.05 . 1 . . . . 51 LYS CB . 4973 1 644 . 1 1 51 51 LYS CD C 13 28.50 0.05 . 1 . . . . 51 LYS CD . 4973 1 645 . 1 1 51 51 LYS CE C 13 42.19 0.05 . 1 . . . . 51 LYS CE . 4973 1 646 . 1 1 51 51 LYS CG C 13 24.00 0.05 . 1 . . . . 51 LYS CG . 4973 1 647 . 1 1 51 51 LYS N N 15 116.56 0.1 . 1 . . . . 51 LYS N . 4973 1 648 . 1 1 52 52 GLU H H 1 7.17 0.02 . 1 . . . . 52 GLU HN . 4973 1 649 . 1 1 52 52 GLU HA H 1 4.74 0.02 . 1 . . . . 52 GLU HA . 4973 1 650 . 1 1 52 52 GLU HB2 H 1 1.70 0.02 . 2 . . . . 52 GLU HB2 . 4973 1 651 . 1 1 52 52 GLU HB3 H 1 1.74 0.02 . 2 . . . . 52 GLU HB3 . 4973 1 652 . 1 1 52 52 GLU HG2 H 1 2.04 0.02 . 2 . . . . 52 GLU HG2 . 4973 1 653 . 1 1 52 52 GLU HG3 H 1 2.21 0.02 . 2 . . . . 52 GLU HG3 . 4973 1 654 . 1 1 52 52 GLU C C 13 174.13 0.05 . 1 . . . . 52 GLU C . 4973 1 655 . 1 1 52 52 GLU CA C 13 54.00 0.05 . 1 . . . . 52 GLU CA . 4973 1 656 . 1 1 52 52 GLU CB C 13 33.82 0.05 . 1 . . . . 52 GLU CB . 4973 1 657 . 1 1 52 52 GLU CG C 13 36.48 0.05 . 1 . . . . 52 GLU CG . 4973 1 658 . 1 1 52 52 GLU N N 15 114.64 0.1 . 1 . . . . 52 GLU N . 4973 1 659 . 1 1 53 53 CYS H H 1 8.87 0.02 . 1 . . . . 53 CYS HN . 4973 1 660 . 1 1 53 53 CYS HA H 1 5.78 0.02 . 1 . . . . 53 CYS HA . 4973 1 661 . 1 1 53 53 CYS HB2 H 1 2.89 0.02 . 2 . . . . 53 CYS HB2 . 4973 1 662 . 1 1 53 53 CYS HB3 H 1 3.18 0.02 . 2 . . . . 53 CYS HB3 . 4973 1 663 . 1 1 53 53 CYS C C 13 170.74 0.05 . 1 . . . . 53 CYS C . 4973 1 664 . 1 1 53 53 CYS CA C 13 52.50 0.05 . 1 . . . . 53 CYS CA . 4973 1 665 . 1 1 53 53 CYS CB C 13 46.72 0.05 . 1 . . . . 53 CYS CB . 4973 1 666 . 1 1 53 53 CYS N N 15 116.88 0.1 . 1 . . . . 53 CYS N . 4973 1 667 . 1 1 54 54 TYR H H 1 9.23 0.02 . 1 . . . . 54 TYR HN . 4973 1 668 . 1 1 54 54 TYR HA H 1 5.76 0.02 . 1 . . . . 54 TYR HA . 4973 1 669 . 1 1 54 54 TYR HB2 H 1 2.24 0.02 . 2 . . . . 54 TYR HB2 . 4973 1 670 . 1 1 54 54 TYR HB3 H 1 2.52 0.02 . 2 . . . . 54 TYR HB3 . 4973 1 671 . 1 1 54 54 TYR HD1 H 1 6.34 0.02 . 1 . . . . 54 TYR HD . 4973 1 672 . 1 1 54 54 TYR HD2 H 1 6.34 0.02 . 1 . . . . 54 TYR HD . 4973 1 673 . 1 1 54 54 TYR HE1 H 1 6.48 0.02 . 1 . . . . 54 TYR HE . 4973 1 674 . 1 1 54 54 TYR HE2 H 1 6.48 0.02 . 1 . . . . 54 TYR HE . 4973 1 675 . 1 1 54 54 TYR C C 13 175.59 0.05 . 1 . . . . 54 TYR C . 4973 1 676 . 1 1 54 54 TYR CA C 13 55.71 0.05 . 1 . . . . 54 TYR CA . 4973 1 677 . 1 1 54 54 TYR CB C 13 43.66 0.05 . 1 . . . . 54 TYR CB . 4973 1 678 . 1 1 54 54 TYR CD1 C 13 132.61 0.05 . 1 . . . . 54 TYR CD1 . 4973 1 679 . 1 1 54 54 TYR CD2 C 13 132.61 0.05 . 1 . . . . 54 TYR CD2 . 4973 1 680 . 1 1 54 54 TYR N N 15 117.53 0.1 . 1 . . . . 54 TYR N . 4973 1 681 . 1 1 55 55 TYR H H 1 8.98 0.02 . 1 . . . . 55 TYR HN . 4973 1 682 . 1 1 55 55 TYR HA H 1 6.56 0.02 . 1 . . . . 55 TYR HA . 4973 1 683 . 1 1 55 55 TYR HB2 H 1 2.81 0.02 . 2 . . . . 55 TYR HB2 . 4973 1 684 . 1 1 55 55 TYR HB3 H 1 3.70 0.02 . 2 . . . . 55 TYR HB3 . 4973 1 685 . 1 1 55 55 TYR HD1 H 1 6.93 0.02 . 1 . . . . 55 TYR HD . 4973 1 686 . 1 1 55 55 TYR HD2 H 1 6.93 0.02 . 1 . . . . 55 TYR HD . 4973 1 687 . 1 1 55 55 TYR HE1 H 1 6.39 0.02 . 1 . . . . 55 TYR HE . 4973 1 688 . 1 1 55 55 TYR HE2 H 1 6.39 0.02 . 1 . . . . 55 TYR HE . 4973 1 689 . 1 1 55 55 TYR C C 13 174.83 0.05 . 1 . . . . 55 TYR C . 4973 1 690 . 1 1 55 55 TYR CA C 13 54.35 0.05 . 1 . . . . 55 TYR CA . 4973 1 691 . 1 1 55 55 TYR CB C 13 40.60 0.05 . 1 . . . . 55 TYR CB . 4973 1 692 . 1 1 55 55 TYR CE1 C 13 116.28 0.05 . 1 . . . . 55 TYR CE1 . 4973 1 693 . 1 1 55 55 TYR CE2 C 13 116.28 0.05 . 1 . . . . 55 TYR CE2 . 4973 1 694 . 1 1 55 55 TYR N N 15 119.45 0.1 . 1 . . . . 55 TYR N . 4973 1 695 . 1 1 56 56 ASN H H 1 8.58 0.02 . 1 . . . . 56 ASN HN . 4973 1 696 . 1 1 56 56 ASN HA H 1 3.83 0.02 . 1 . . . . 56 ASN HA . 4973 1 697 . 1 1 56 56 ASN HB2 H 1 1.85 0.02 . 2 . . . . 56 ASN HB2 . 4973 1 698 . 1 1 56 56 ASN HB3 H 1 2.08 0.02 . 2 . . . . 56 ASN HB3 . 4973 1 699 . 1 1 56 56 ASN HD21 H 1 7.04 0.02 . 2 . . . . 56 ASN HD21 . 4973 1 700 . 1 1 56 56 ASN HD22 H 1 8.05 0.02 . 2 . . . . 56 ASN HD22 . 4973 1 701 . 1 1 56 56 ASN C C 13 173.69 0.05 . 1 . . . . 56 ASN C . 4973 1 702 . 1 1 56 56 ASN CA C 13 56.12 0.05 . 1 . . . . 56 ASN CA . 4973 1 703 . 1 1 56 56 ASN CB C 13 39.07 0.05 . 1 . . . . 56 ASN CB . 4973 1 704 . 1 1 56 56 ASN N N 15 121.38 0.1 . 1 . . . . 56 ASN N . 4973 1 705 . 1 1 56 56 ASN ND2 N 15 115.12 0.1 . 1 . . . . 56 ASN ND2 . 4973 1 706 . 1 1 57 57 VAL H H 1 7.74 0.02 . 1 . . . . 57 VAL HN . 4973 1 707 . 1 1 57 57 VAL HA H 1 4.78 0.02 . 1 . . . . 57 VAL HA . 4973 1 708 . 1 1 57 57 VAL HB H 1 2.57 0.02 . 1 . . . . 57 VAL HB . 4973 1 709 . 1 1 57 57 VAL HG11 H 1 0.85 0.02 . 2 . . . . 57 VAL HG1 . 4973 1 710 . 1 1 57 57 VAL HG12 H 1 0.85 0.02 . 2 . . . . 57 VAL HG1 . 4973 1 711 . 1 1 57 57 VAL HG13 H 1 0.85 0.02 . 2 . . . . 57 VAL HG1 . 4973 1 712 . 1 1 57 57 VAL HG21 H 1 0.51 0.02 . 2 . . . . 57 VAL HG2 . 4973 1 713 . 1 1 57 57 VAL HG22 H 1 0.51 0.02 . 2 . . . . 57 VAL HG2 . 4973 1 714 . 1 1 57 57 VAL HG23 H 1 0.51 0.02 . 2 . . . . 57 VAL HG2 . 4973 1 715 . 1 1 57 57 VAL C C 13 175.79 0.05 . 1 . . . . 57 VAL C . 4973 1 716 . 1 1 57 57 VAL CA C 13 59.74 0.05 . 1 . . . . 57 VAL CA . 4973 1 717 . 1 1 57 57 VAL CB C 13 31.96 0.05 . 1 . . . . 57 VAL CB . 4973 1 718 . 1 1 57 57 VAL CG1 C 13 22.54 0.05 . 2 . . . . 57 VAL CG1 . 4973 1 719 . 1 1 57 57 VAL CG2 C 13 17.55 0.05 . 2 . . . . 57 VAL CG2 . 4973 1 720 . 1 1 57 57 VAL N N 15 106.29 0.1 . 1 . . . . 57 VAL N . 4973 1 721 . 1 1 58 58 VAL H H 1 6.84 0.02 . 1 . . . . 58 VAL HN . 4973 1 722 . 1 1 58 58 VAL HA H 1 4.42 0.02 . 1 . . . . 58 VAL HA . 4973 1 723 . 1 1 58 58 VAL HB H 1 2.05 0.02 . 1 . . . . 58 VAL HB . 4973 1 724 . 1 1 58 58 VAL HG11 H 1 0.90 0.02 . 2 . . . . 58 VAL HG1 . 4973 1 725 . 1 1 58 58 VAL HG12 H 1 0.90 0.02 . 2 . . . . 58 VAL HG1 . 4973 1 726 . 1 1 58 58 VAL HG13 H 1 0.90 0.02 . 2 . . . . 58 VAL HG1 . 4973 1 727 . 1 1 58 58 VAL HG21 H 1 0.74 0.02 . 2 . . . . 58 VAL HG2 . 4973 1 728 . 1 1 58 58 VAL HG22 H 1 0.74 0.02 . 2 . . . . 58 VAL HG2 . 4973 1 729 . 1 1 58 58 VAL HG23 H 1 0.74 0.02 . 2 . . . . 58 VAL HG2 . 4973 1 730 . 1 1 58 58 VAL C C 13 173.49 0.05 . 1 . . . . 58 VAL C . 4973 1 731 . 1 1 58 58 VAL CA C 13 57.56 0.05 . 1 . . . . 58 VAL CA . 4973 1 732 . 1 1 58 58 VAL CB C 13 34.37 0.05 . 1 . . . . 58 VAL CB . 4973 1 733 . 1 1 58 58 VAL CG1 C 13 21.20 0.05 . 2 . . . . 58 VAL CG1 . 4973 1 734 . 1 1 58 58 VAL CG2 C 13 17.49 0.05 . 2 . . . . 58 VAL CG2 . 4973 1 735 . 1 1 58 58 VAL N N 15 113.03 0.1 . 1 . . . . 58 VAL N . 4973 1 736 . 1 1 59 59 ASP H H 1 7.76 0.02 . 1 . . . . 59 ASP HN . 4973 1 737 . 1 1 59 59 ASP HA H 1 4.11 0.02 . 1 . . . . 59 ASP HA . 4973 1 738 . 1 1 59 59 ASP HB2 H 1 1.84 0.02 . 2 . . . . 59 ASP HB2 . 4973 1 739 . 1 1 59 59 ASP HB3 H 1 2.28 0.02 . 2 . . . . 59 ASP HB3 . 4973 1 740 . 1 1 59 59 ASP C C 13 178.05 0.05 . 1 . . . . 59 ASP C . 4973 1 741 . 1 1 59 59 ASP CA C 13 54.28 0.05 . 1 . . . . 59 ASP CA . 4973 1 742 . 1 1 59 59 ASP CB C 13 42.02 0.05 . 1 . . . . 59 ASP CB . 4973 1 743 . 1 1 59 59 ASP CG C 13 179.43 0.05 . 1 . . . . 59 ASP CG . 4973 1 744 . 1 1 59 59 ASP N N 15 120.74 0.1 . 1 . . . . 59 ASP N . 4973 1 745 . 1 1 60 60 GLY H H 1 9.30 0.02 . 1 . . . . 60 GLY HN . 4973 1 746 . 1 1 60 60 GLY HA2 H 1 4.31 0.02 . 2 . . . . 60 GLY HA1 . 4973 1 747 . 1 1 60 60 GLY HA3 H 1 3.82 0.02 . 2 . . . . 60 GLY HA2 . 4973 1 748 . 1 1 60 60 GLY C C 13 177.02 0.05 . 1 . . . . 60 GLY C . 4973 1 749 . 1 1 60 60 GLY CA C 13 47.65 0.05 . 1 . . . . 60 GLY CA . 4973 1 750 . 1 1 60 60 GLY N N 15 113.35 0.1 . 1 . . . . 60 GLY N . 4973 1 751 . 1 1 61 61 GLU H H 1 8.74 0.02 . 1 . . . . 61 GLU HN . 4973 1 752 . 1 1 61 61 GLU HA H 1 4.17 0.02 . 1 . . . . 61 GLU HA . 4973 1 753 . 1 1 61 61 GLU HB2 H 1 1.92 0.02 . 2 . . . . 61 GLU HB2 . 4973 1 754 . 1 1 61 61 GLU HB3 H 1 2.04 0.02 . 2 . . . . 61 GLU HB3 . 4973 1 755 . 1 1 61 61 GLU HG2 H 1 2.23 0.02 . 2 . . . . 61 GLU HG2 . 4973 1 756 . 1 1 61 61 GLU HG3 H 1 2.38 0.02 . 2 . . . . 61 GLU HG3 . 4973 1 757 . 1 1 61 61 GLU C C 13 178.10 0.05 . 1 . . . . 61 GLU C . 4973 1 758 . 1 1 61 61 GLU CA C 13 58.03 0.05 . 1 . . . . 61 GLU CA . 4973 1 759 . 1 1 61 61 GLU CB C 13 29.23 0.05 . 1 . . . . 61 GLU CB . 4973 1 760 . 1 1 61 61 GLU CG C 13 36.28 0.05 . 1 . . . . 61 GLU CG . 4973 1 761 . 1 1 61 61 GLU N N 15 119.78 0.1 . 1 . . . . 61 GLU N . 4973 1 762 . 1 1 62 62 GLU H H 1 8.30 0.02 . 1 . . . . 62 GLU HN . 4973 1 763 . 1 1 62 62 GLU HA H 1 4.28 0.02 . 1 . . . . 62 GLU HA . 4973 1 764 . 1 1 62 62 GLU HB2 H 1 1.97 0.02 . 2 . . . . 62 GLU HB2 . 4973 1 765 . 1 1 62 62 GLU HB3 H 1 2.20 0.02 . 2 . . . . 62 GLU HB3 . 4973 1 766 . 1 1 62 62 GLU HG2 H 1 2.26 0.02 . 2 . . . . 62 GLU HG2 . 4973 1 767 . 1 1 62 62 GLU HG3 H 1 2.26 0.02 . 2 . . . . 62 GLU HG3 . 4973 1 768 . 1 1 62 62 GLU C C 13 177.77 0.05 . 1 . . . . 62 GLU C . 4973 1 769 . 1 1 62 62 GLU CA C 13 56.33 0.05 . 1 . . . . 62 GLU CA . 4973 1 770 . 1 1 62 62 GLU CB C 13 29.67 0.05 . 1 . . . . 62 GLU CB . 4973 1 771 . 1 1 62 62 GLU CG C 13 36.58 0.05 . 1 . . . . 62 GLU CG . 4973 1 772 . 1 1 62 62 GLU N N 15 115.92 0.1 . 1 . . . . 62 GLU N . 4973 1 773 . 1 1 63 63 LEU H H 1 7.42 0.02 . 1 . . . . 63 LEU HN . 4973 1 774 . 1 1 63 63 LEU HA H 1 4.37 0.02 . 1 . . . . 63 LEU HA . 4973 1 775 . 1 1 63 63 LEU HB2 H 1 1.31 0.02 . 2 . . . . 63 LEU HB2 . 4973 1 776 . 1 1 63 63 LEU HB3 H 1 2.18 0.02 . 2 . . . . 63 LEU HB3 . 4973 1 777 . 1 1 63 63 LEU HD11 H 1 0.87 0.02 . 1 . . . . 63 LEU HD1 . 4973 1 778 . 1 1 63 63 LEU HD12 H 1 0.87 0.02 . 1 . . . . 63 LEU HD1 . 4973 1 779 . 1 1 63 63 LEU HD13 H 1 0.87 0.02 . 1 . . . . 63 LEU HD1 . 4973 1 780 . 1 1 63 63 LEU HD21 H 1 0.44 0.02 . 1 . . . . 63 LEU HD2 . 4973 1 781 . 1 1 63 63 LEU HD22 H 1 0.44 0.02 . 1 . . . . 63 LEU HD2 . 4973 1 782 . 1 1 63 63 LEU HD23 H 1 0.44 0.02 . 1 . . . . 63 LEU HD2 . 4973 1 783 . 1 1 63 63 LEU HG H 1 1.74 0.02 . 1 . . . . 63 LEU HG . 4973 1 784 . 1 1 63 63 LEU C C 13 176.00 0.05 . 1 . . . . 63 LEU C . 4973 1 785 . 1 1 63 63 LEU CA C 13 54.41 0.05 . 1 . . . . 63 LEU CA . 4973 1 786 . 1 1 63 63 LEU CB C 13 41.04 0.05 . 1 . . . . 63 LEU CB . 4973 1 787 . 1 1 63 63 LEU CD1 C 13 26.03 0.05 . 1 . . . . 63 LEU CD1 . 4973 1 788 . 1 1 63 63 LEU CD2 C 13 22.43 0.05 . 1 . . . . 63 LEU CD2 . 4973 1 789 . 1 1 63 63 LEU CG C 13 26.47 0.05 . 1 . . . . 63 LEU CG . 4973 1 790 . 1 1 63 63 LEU N N 15 119.45 0.1 . 1 . . . . 63 LEU N . 4973 1 791 . 1 1 64 64 ASP H H 1 8.42 0.02 . 1 . . . . 64 ASP HN . 4973 1 792 . 1 1 64 64 ASP HA H 1 4.87 0.02 . 1 . . . . 64 ASP HA . 4973 1 793 . 1 1 64 64 ASP HB2 H 1 2.62 0.02 . 2 . . . . 64 ASP HB2 . 4973 1 794 . 1 1 64 64 ASP HB3 H 1 2.80 0.02 . 2 . . . . 64 ASP HB3 . 4973 1 795 . 1 1 64 64 ASP C C 13 178.51 0.05 . 1 . . . . 64 ASP C . 4973 1 796 . 1 1 64 64 ASP CA C 13 52.91 0.05 . 1 . . . . 64 ASP CA . 4973 1 797 . 1 1 64 64 ASP CB C 13 41.91 0.05 . 1 . . . . 64 ASP CB . 4973 1 798 . 1 1 64 64 ASP N N 15 122.99 0.1 . 1 . . . . 64 ASP N . 4973 1 799 . 1 1 65 65 GLN H H 1 9.34 0.02 . 1 . . . . 65 GLN HN . 4973 1 800 . 1 1 65 65 GLN HA H 1 4.29 0.02 . 1 . . . . 65 GLN HA . 4973 1 801 . 1 1 65 65 GLN HB2 H 1 2.12 0.02 . 2 . . . . 65 GLN HB2 . 4973 1 802 . 1 1 65 65 GLN HB3 H 1 2.25 0.02 . 2 . . . . 65 GLN HB3 . 4973 1 803 . 1 1 65 65 GLN HE21 H 1 6.74 0.02 . 2 . . . . 65 GLN HE21 . 4973 1 804 . 1 1 65 65 GLN HE22 H 1 7.84 0.02 . 2 . . . . 65 GLN HE22 . 4973 1 805 . 1 1 65 65 GLN HG2 H 1 2.57 0.02 . 2 . . . . 65 GLN HG2 . 4973 1 806 . 1 1 65 65 GLN HG3 H 1 2.53 0.02 . 2 . . . . 65 GLN HG3 . 4973 1 807 . 1 1 65 65 GLN C C 13 178.67 0.05 . 1 . . . . 65 GLN C . 4973 1 808 . 1 1 65 65 GLN CA C 13 58.79 0.05 . 1 . . . . 65 GLN CA . 4973 1 809 . 1 1 65 65 GLN CB C 13 28.47 0.05 . 1 . . . . 65 GLN CB . 4973 1 810 . 1 1 65 65 GLN CD C 13 179.90 0.05 . 1 . . . . 65 GLN CD . 4973 1 811 . 1 1 65 65 GLN CG C 13 33.66 0.05 . 1 . . . . 65 GLN CG . 4973 1 812 . 1 1 65 65 GLN N N 15 125.88 0.1 . 1 . . . . 65 GLN N . 4973 1 813 . 1 1 65 65 GLN NE2 N 15 113.87 0.1 . 1 . . . . 65 GLN NE2 . 4973 1 814 . 1 1 66 66 GLU H H 1 8.87 0.02 . 1 . . . . 66 GLU HN . 4973 1 815 . 1 1 66 66 GLU HA H 1 4.30 0.02 . 1 . . . . 66 GLU HA . 4973 1 816 . 1 1 66 66 GLU HB2 H 1 2.02 0.02 . 2 . . . . 66 GLU HB2 . 4973 1 817 . 1 1 66 66 GLU HB3 H 1 2.14 0.02 . 2 . . . . 66 GLU HB3 . 4973 1 818 . 1 1 66 66 GLU HG2 H 1 2.25 0.02 . 2 . . . . 66 GLU HG2 . 4973 1 819 . 1 1 66 66 GLU HG3 H 1 2.37 0.02 . 2 . . . . 66 GLU HG3 . 4973 1 820 . 1 1 66 66 GLU C C 13 177.67 0.05 . 1 . . . . 66 GLU C . 4973 1 821 . 1 1 66 66 GLU CA C 13 57.42 0.05 . 1 . . . . 66 GLU CA . 4973 1 822 . 1 1 66 66 GLU CB C 13 29.12 0.05 . 1 . . . . 66 GLU CB . 4973 1 823 . 1 1 66 66 GLU CG C 13 36.35 0.05 . 1 . . . . 66 GLU CG . 4973 1 824 . 1 1 66 66 GLU N N 15 116.24 0.1 . 1 . . . . 66 GLU N . 4973 1 825 . 1 1 67 67 LYS H H 1 7.90 0.02 . 1 . . . . 67 LYS HN . 4973 1 826 . 1 1 67 67 LYS HA H 1 3.93 0.02 . 1 . . . . 67 LYS HA . 4973 1 827 . 1 1 67 67 LYS HB2 H 1 1.14 0.02 . 2 . . . . 67 LYS HB2 . 4973 1 828 . 1 1 67 67 LYS HB3 H 1 1.47 0.02 . 2 . . . . 67 LYS HB3 . 4973 1 829 . 1 1 67 67 LYS HD2 H 1 1.19 0.02 . 2 . . . . 67 LYS HD2 . 4973 1 830 . 1 1 67 67 LYS HD3 H 1 1.45 0.02 . 2 . . . . 67 LYS HD3 . 4973 1 831 . 1 1 67 67 LYS HE2 H 1 2.85 0.02 . 2 . . . . 67 LYS HE2 . 4973 1 832 . 1 1 67 67 LYS HE3 H 1 2.90 0.02 . 2 . . . . 67 LYS HE3 . 4973 1 833 . 1 1 67 67 LYS HG2 H 1 0.89 0.02 . 2 . . . . 67 LYS HG2 . 4973 1 834 . 1 1 67 67 LYS HG3 H 1 1.22 0.02 . 2 . . . . 67 LYS HG3 . 4973 1 835 . 1 1 67 67 LYS C C 13 174.41 0.05 . 1 . . . . 67 LYS C . 4973 1 836 . 1 1 67 67 LYS CA C 13 56.53 0.05 . 1 . . . . 67 LYS CA . 4973 1 837 . 1 1 67 67 LYS CB C 13 31.96 0.05 . 1 . . . . 67 LYS CB . 4973 1 838 . 1 1 67 67 LYS CD C 13 29.15 0.05 . 1 . . . . 67 LYS CD . 4973 1 839 . 1 1 67 67 LYS CE C 13 42.12 0.05 . 1 . . . . 67 LYS CE . 4973 1 840 . 1 1 67 67 LYS CG C 13 26.54 0.05 . 1 . . . . 67 LYS CG . 4973 1 841 . 1 1 67 67 LYS N N 15 117.53 0.1 . 1 . . . . 67 LYS N . 4973 1 842 . 1 1 68 68 PHE H H 1 7.05 0.02 . 1 . . . . 68 PHE HN . 4973 1 843 . 1 1 68 68 PHE HA H 1 5.14 0.02 . 1 . . . . 68 PHE HA . 4973 1 844 . 1 1 68 68 PHE HB2 H 1 2.51 0.02 . 2 . . . . 68 PHE HB2 . 4973 1 845 . 1 1 68 68 PHE HB3 H 1 3.32 0.02 . 2 . . . . 68 PHE HB3 . 4973 1 846 . 1 1 68 68 PHE HD1 H 1 7.57 0.02 . 1 . . . . 68 PHE HD . 4973 1 847 . 1 1 68 68 PHE HD2 H 1 7.57 0.02 . 1 . . . . 68 PHE HD . 4973 1 848 . 1 1 68 68 PHE HE1 H 1 7.33 0.02 . 1 . . . . 68 PHE HE . 4973 1 849 . 1 1 68 68 PHE HE2 H 1 7.33 0.02 . 1 . . . . 68 PHE HE . 4973 1 850 . 1 1 68 68 PHE HZ H 1 7.19 0.02 . 1 . . . . 68 PHE HZ . 4973 1 851 . 1 1 68 68 PHE C C 13 175.84 0.05 . 1 . . . . 68 PHE C . 4973 1 852 . 1 1 68 68 PHE CA C 13 57.21 0.05 . 1 . . . . 68 PHE CA . 4973 1 853 . 1 1 68 68 PHE CB C 13 39.29 0.05 . 1 . . . . 68 PHE CB . 4973 1 854 . 1 1 68 68 PHE CE1 C 13 131.44 0.05 . 1 . . . . 68 PHE CE1 . 4973 1 855 . 1 1 68 68 PHE CE2 C 13 131.44 0.05 . 1 . . . . 68 PHE CE2 . 4973 1 856 . 1 1 68 68 PHE N N 15 118.49 0.1 . 1 . . . . 68 PHE N . 4973 1 857 . 1 1 69 69 VAL H H 1 8.54 0.02 . 1 . . . . 69 VAL HN . 4973 1 858 . 1 1 69 69 VAL HA H 1 4.64 0.02 . 1 . . . . 69 VAL HA . 4973 1 859 . 1 1 69 69 VAL HB H 1 1.85 0.02 . 1 . . . . 69 VAL HB . 4973 1 860 . 1 1 69 69 VAL HG11 H 1 0.68 0.02 . 2 . . . . 69 VAL HG1 . 4973 1 861 . 1 1 69 69 VAL HG12 H 1 0.68 0.02 . 2 . . . . 69 VAL HG1 . 4973 1 862 . 1 1 69 69 VAL HG13 H 1 0.68 0.02 . 2 . . . . 69 VAL HG1 . 4973 1 863 . 1 1 69 69 VAL HG21 H 1 0.48 0.02 . 2 . . . . 69 VAL HG2 . 4973 1 864 . 1 1 69 69 VAL HG22 H 1 0.48 0.02 . 2 . . . . 69 VAL HG2 . 4973 1 865 . 1 1 69 69 VAL HG23 H 1 0.48 0.02 . 2 . . . . 69 VAL HG2 . 4973 1 866 . 1 1 69 69 VAL C C 13 174.86 0.05 . 1 . . . . 69 VAL C . 4973 1 867 . 1 1 69 69 VAL CA C 13 58.72 0.05 . 1 . . . . 69 VAL CA . 4973 1 868 . 1 1 69 69 VAL CB C 13 35.46 0.05 . 1 . . . . 69 VAL CB . 4973 1 869 . 1 1 69 69 VAL CG1 C 13 20.64 0.05 . 2 . . . . 69 VAL CG1 . 4973 1 870 . 1 1 69 69 VAL CG2 C 13 19.65 0.05 . 2 . . . . 69 VAL CG2 . 4973 1 871 . 1 1 69 69 VAL N N 15 118.49 0.1 . 1 . . . . 69 VAL N . 4973 1 872 . 1 1 70 70 VAL H H 1 8.43 0.02 . 1 . . . . 70 VAL HN . 4973 1 873 . 1 1 70 70 VAL HA H 1 4.14 0.02 . 1 . . . . 70 VAL HA . 4973 1 874 . 1 1 70 70 VAL HB H 1 1.99 0.02 . 1 . . . . 70 VAL HB . 4973 1 875 . 1 1 70 70 VAL HG11 H 1 1.11 0.02 . 2 . . . . 70 VAL HG1 . 4973 1 876 . 1 1 70 70 VAL HG12 H 1 1.11 0.02 . 2 . . . . 70 VAL HG1 . 4973 1 877 . 1 1 70 70 VAL HG13 H 1 1.11 0.02 . 2 . . . . 70 VAL HG1 . 4973 1 878 . 1 1 70 70 VAL HG21 H 1 1.05 0.02 . 2 . . . . 70 VAL HG2 . 4973 1 879 . 1 1 70 70 VAL HG22 H 1 1.05 0.02 . 2 . . . . 70 VAL HG2 . 4973 1 880 . 1 1 70 70 VAL HG23 H 1 1.05 0.02 . 2 . . . . 70 VAL HG2 . 4973 1 881 . 1 1 70 70 VAL C C 13 176.63 0.05 . 1 . . . . 70 VAL C . 4973 1 882 . 1 1 70 70 VAL CA C 13 64.04 0.05 . 1 . . . . 70 VAL CA . 4973 1 883 . 1 1 70 70 VAL CB C 13 31.96 0.05 . 1 . . . . 70 VAL CB . 4973 1 884 . 1 1 70 70 VAL CG1 C 13 20.77 0.05 . 2 . . . . 70 VAL CG1 . 4973 1 885 . 1 1 70 70 VAL CG2 C 13 20.35 0.05 . 2 . . . . 70 VAL CG2 . 4973 1 886 . 1 1 70 70 VAL N N 15 122.99 0.1 . 1 . . . . 70 VAL N . 4973 1 887 . 1 1 71 71 ASP H H 1 7.97 0.02 . 1 . . . . 71 ASP HN . 4973 1 888 . 1 1 71 71 ASP HA H 1 4.50 0.02 . 1 . . . . 71 ASP HA . 4973 1 889 . 1 1 71 71 ASP HB2 H 1 2.37 0.02 . 2 . . . . 71 ASP HB2 . 4973 1 890 . 1 1 71 71 ASP HB3 H 1 2.60 0.02 . 2 . . . . 71 ASP HB3 . 4973 1 891 . 1 1 71 71 ASP C C 13 176.06 0.05 . 1 . . . . 71 ASP C . 4973 1 892 . 1 1 71 71 ASP CA C 13 55.10 0.05 . 1 . . . . 71 ASP CA . 4973 1 893 . 1 1 71 71 ASP CB C 13 43.88 0.05 . 1 . . . . 71 ASP CB . 4973 1 894 . 1 1 71 71 ASP CG C 13 179.56 0.05 . 1 . . . . 71 ASP CG . 4973 1 895 . 1 1 71 71 ASP N N 15 125.24 0.1 . 1 . . . . 71 ASP N . 4973 1 896 . 1 1 72 72 GLU H H 1 9.08 0.02 . 1 . . . . 72 GLU HN . 4973 1 897 . 1 1 72 72 GLU HA H 1 4.14 0.02 . 1 . . . . 72 GLU HA . 4973 1 898 . 1 1 72 72 GLU HB2 H 1 2.04 0.02 . 2 . . . . 72 GLU HB2 . 4973 1 899 . 1 1 72 72 GLU HB3 H 1 2.15 0.02 . 2 . . . . 72 GLU HB3 . 4973 1 900 . 1 1 72 72 GLU HG2 H 1 2.27 0.02 . 2 . . . . 72 GLU HG2 . 4973 1 901 . 1 1 72 72 GLU HG3 H 1 2.34 0.02 . 2 . . . . 72 GLU HG3 . 4973 1 902 . 1 1 72 72 GLU C C 13 176.60 0.05 . 1 . . . . 72 GLU C . 4973 1 903 . 1 1 72 72 GLU CA C 13 58.79 0.05 . 1 . . . . 72 GLU CA . 4973 1 904 . 1 1 72 72 GLU CB C 13 29.45 0.05 . 1 . . . . 72 GLU CB . 4973 1 905 . 1 1 72 72 GLU CG C 13 35.45 0.05 . 1 . . . . 72 GLU CG . 4973 1 906 . 1 1 72 72 GLU N N 15 123.95 0.1 . 1 . . . . 72 GLU N . 4973 1 907 . 1 1 73 73 ASN H H 1 9.24 0.02 . 1 . . . . 73 ASN HN . 4973 1 908 . 1 1 73 73 ASN HA H 1 4.72 0.02 . 1 . . . . 73 ASN HA . 4973 1 909 . 1 1 73 73 ASN HB2 H 1 2.88 0.02 . 2 . . . . 73 ASN HB2 . 4973 1 910 . 1 1 73 73 ASN HB3 H 1 3.02 0.02 . 2 . . . . 73 ASN HB3 . 4973 1 911 . 1 1 73 73 ASN HD21 H 1 7.04 0.02 . 2 . . . . 73 ASN HD21 . 4973 1 912 . 1 1 73 73 ASN HD22 H 1 8.06 0.02 . 2 . . . . 73 ASN HD22 . 4973 1 913 . 1 1 73 73 ASN C C 13 174.56 0.05 . 1 . . . . 73 ASN C . 4973 1 914 . 1 1 73 73 ASN CA C 13 53.73 0.05 . 1 . . . . 73 ASN CA . 4973 1 915 . 1 1 73 73 ASN CB C 13 39.29 0.05 . 1 . . . . 73 ASN CB . 4973 1 916 . 1 1 73 73 ASN CG C 13 177.27 0.05 . 1 . . . . 73 ASN CG . 4973 1 917 . 1 1 73 73 ASN N N 15 115.92 0.1 . 1 . . . . 73 ASN N . 4973 1 918 . 1 1 73 73 ASN ND2 N 15 115.12 0.1 . 1 . . . . 73 ASN ND2 . 4973 1 919 . 1 1 74 74 PHE H H 1 8.32 0.02 . 1 . . . . 74 PHE HN . 4973 1 920 . 1 1 74 74 PHE HA H 1 6.21 0.02 . 1 . . . . 74 PHE HA . 4973 1 921 . 1 1 74 74 PHE HB2 H 1 2.95 0.02 . 2 . . . . 74 PHE HB2 . 4973 1 922 . 1 1 74 74 PHE HB3 H 1 3.45 0.02 . 2 . . . . 74 PHE HB3 . 4973 1 923 . 1 1 74 74 PHE HD1 H 1 7.20 0.02 . 1 . . . . 74 PHE HD . 4973 1 924 . 1 1 74 74 PHE HD2 H 1 7.20 0.02 . 1 . . . . 74 PHE HD . 4973 1 925 . 1 1 74 74 PHE HE1 H 1 7.29 0.02 . 1 . . . . 74 PHE HE . 4973 1 926 . 1 1 74 74 PHE HE2 H 1 7.29 0.02 . 1 . . . . 74 PHE HE . 4973 1 927 . 1 1 74 74 PHE HZ H 1 7.43 0.02 . 1 . . . . 74 PHE HZ . 4973 1 928 . 1 1 74 74 PHE C C 13 177.32 0.05 . 1 . . . . 74 PHE C . 4973 1 929 . 1 1 74 74 PHE CA C 13 55.98 0.05 . 1 . . . . 74 PHE CA . 4973 1 930 . 1 1 74 74 PHE CB C 13 45.41 0.05 . 1 . . . . 74 PHE CB . 4973 1 931 . 1 1 74 74 PHE CD1 C 13 131.74 0.05 . 1 . . . . 74 PHE CD1 . 4973 1 932 . 1 1 74 74 PHE CD2 C 13 131.74 0.05 . 1 . . . . 74 PHE CD2 . 4973 1 933 . 1 1 74 74 PHE CE1 C 13 131.74 0.05 . 1 . . . . 74 PHE CE1 . 4973 1 934 . 1 1 74 74 PHE CE2 C 13 131.74 0.05 . 1 . . . . 74 PHE CE2 . 4973 1 935 . 1 1 74 74 PHE N N 15 122.67 0.1 . 1 . . . . 74 PHE N . 4973 1 936 . 1 1 75 75 THR H H 1 9.35 0.02 . 1 . . . . 75 THR HN . 4973 1 937 . 1 1 75 75 THR HA H 1 5.13 0.02 . 1 . . . . 75 THR HA . 4973 1 938 . 1 1 75 75 THR HB H 1 4.17 0.02 . 1 . . . . 75 THR HB . 4973 1 939 . 1 1 75 75 THR HG1 H 1 6.11 0.02 . 1 . . . . 75 THR HG1 . 4973 1 940 . 1 1 75 75 THR HG21 H 1 1.32 0.02 . 1 . . . . 75 THR HG2 . 4973 1 941 . 1 1 75 75 THR HG22 H 1 1.32 0.02 . 1 . . . . 75 THR HG2 . 4973 1 942 . 1 1 75 75 THR HG23 H 1 1.32 0.02 . 1 . . . . 75 THR HG2 . 4973 1 943 . 1 1 75 75 THR C C 13 171.87 0.05 . 1 . . . . 75 THR C . 4973 1 944 . 1 1 75 75 THR CA C 13 60.70 0.05 . 1 . . . . 75 THR CA . 4973 1 945 . 1 1 75 75 THR CB C 13 71.20 0.05 . 1 . . . . 75 THR CB . 4973 1 946 . 1 1 75 75 THR CG2 C 13 21.62 0.05 . 1 . . . . 75 THR CG2 . 4973 1 947 . 1 1 75 75 THR N N 15 106.93 0.1 . 1 . . . . 75 THR N . 4973 1 948 . 1 1 76 76 GLU H H 1 8.60 0.02 . 1 . . . . 76 GLU HN . 4973 1 949 . 1 1 76 76 GLU HA H 1 4.36 0.02 . 1 . . . . 76 GLU HA . 4973 1 950 . 1 1 76 76 GLU HB2 H 1 2.20 0.02 . 1 . . . . 76 GLU HB . 4973 1 951 . 1 1 76 76 GLU HB3 H 1 2.20 0.02 . 1 . . . . 76 GLU HB . 4973 1 952 . 1 1 76 76 GLU HG2 H 1 2.54 0.02 . 2 . . . . 76 GLU HG2 . 4973 1 953 . 1 1 76 76 GLU HG3 H 1 2.68 0.02 . 2 . . . . 76 GLU HG3 . 4973 1 954 . 1 1 76 76 GLU C C 13 174.68 0.05 . 1 . . . . 76 GLU C . 4973 1 955 . 1 1 76 76 GLU CA C 13 55.98 0.05 . 1 . . . . 76 GLU CA . 4973 1 956 . 1 1 76 76 GLU CB C 13 32.40 0.05 . 1 . . . . 76 GLU CB . 4973 1 957 . 1 1 76 76 GLU CG C 13 33.32 0.05 . 1 . . . . 76 GLU CG . 4973 1 958 . 1 1 76 76 GLU N N 15 125.88 0.1 . 1 . . . . 76 GLU N . 4973 1 959 . 1 1 77 77 ASN H H 1 8.21 0.02 . 1 . . . . 77 ASN HN . 4973 1 960 . 1 1 77 77 ASN HA H 1 5.81 0.02 . 1 . . . . 77 ASN HA . 4973 1 961 . 1 1 77 77 ASN HB2 H 1 2.53 0.02 . 2 . . . . 77 ASN HB2 . 4973 1 962 . 1 1 77 77 ASN HB3 H 1 2.94 0.02 . 2 . . . . 77 ASN HB3 . 4973 1 963 . 1 1 77 77 ASN HD21 H 1 7.04 0.02 . 2 . . . . 77 ASN HD21 . 4973 1 964 . 1 1 77 77 ASN HD22 H 1 7.76 0.02 . 2 . . . . 77 ASN HD22 . 4973 1 965 . 1 1 77 77 ASN C C 13 173.08 0.05 . 1 . . . . 77 ASN C . 4973 1 966 . 1 1 77 77 ASN CA C 13 52.09 0.05 . 1 . . . . 77 ASN CA . 4973 1 967 . 1 1 77 77 ASN CB C 13 43.11 0.05 . 1 . . . . 77 ASN CB . 4973 1 968 . 1 1 77 77 ASN CG C 13 177.05 0.05 . 1 . . . . 77 ASN CG . 4973 1 969 . 1 1 77 77 ASN N N 15 124.59 0.1 . 1 . . . . 77 ASN N . 4973 1 970 . 1 1 77 77 ASN ND2 N 15 113.87 0.1 . 1 . . . . 77 ASN ND2 . 4973 1 971 . 1 1 78 78 TYR H H 1 9.19 0.02 . 1 . . . . 78 TYR HN . 4973 1 972 . 1 1 78 78 TYR HA H 1 5.79 0.02 . 1 . . . . 78 TYR HA . 4973 1 973 . 1 1 78 78 TYR HB2 H 1 2.76 0.02 . 2 . . . . 78 TYR HB2 . 4973 1 974 . 1 1 78 78 TYR HB3 H 1 3.21 0.02 . 2 . . . . 78 TYR HB3 . 4973 1 975 . 1 1 78 78 TYR HD1 H 1 7.11 0.02 . 1 . . . . 78 TYR HD . 4973 1 976 . 1 1 78 78 TYR HD2 H 1 7.11 0.02 . 1 . . . . 78 TYR HD . 4973 1 977 . 1 1 78 78 TYR HE1 H 1 6.46 0.02 . 1 . . . . 78 TYR HE . 4973 1 978 . 1 1 78 78 TYR HE2 H 1 6.46 0.02 . 1 . . . . 78 TYR HE . 4973 1 979 . 1 1 78 78 TYR C C 13 176.22 0.05 . 1 . . . . 78 TYR C . 4973 1 980 . 1 1 78 78 TYR CA C 13 55.71 0.05 . 1 . . . . 78 TYR CA . 4973 1 981 . 1 1 78 78 TYR CB C 13 41.69 0.05 . 1 . . . . 78 TYR CB . 4973 1 982 . 1 1 78 78 TYR CD1 C 13 131.60 0.05 . 1 . . . . 78 TYR CD1 . 4973 1 983 . 1 1 78 78 TYR CD2 C 13 131.60 0.05 . 1 . . . . 78 TYR CD2 . 4973 1 984 . 1 1 78 78 TYR CE1 C 13 119.16 0.05 . 1 . . . . 78 TYR CE1 . 4973 1 985 . 1 1 78 78 TYR CE2 C 13 119.16 0.05 . 1 . . . . 78 TYR CE2 . 4973 1 986 . 1 1 78 78 TYR N N 15 119.78 0.1 . 1 . . . . 78 TYR N . 4973 1 987 . 1 1 79 79 LEU H H 1 8.79 0.02 . 1 . . . . 79 LEU HN . 4973 1 988 . 1 1 79 79 LEU HA H 1 3.37 0.02 . 1 . . . . 79 LEU HA . 4973 1 989 . 1 1 79 79 LEU HB2 H 1 0.97 0.02 . 2 . . . . 79 LEU HB2 . 4973 1 990 . 1 1 79 79 LEU HB3 H 1 1.67 0.02 . 2 . . . . 79 LEU HB3 . 4973 1 991 . 1 1 79 79 LEU HD11 H 1 0.87 0.02 . 2 . . . . 79 LEU HD1 . 4973 1 992 . 1 1 79 79 LEU HD12 H 1 0.87 0.02 . 2 . . . . 79 LEU HD1 . 4973 1 993 . 1 1 79 79 LEU HD13 H 1 0.87 0.02 . 2 . . . . 79 LEU HD1 . 4973 1 994 . 1 1 79 79 LEU HD21 H 1 0.48 0.02 . 2 . . . . 79 LEU HD2 . 4973 1 995 . 1 1 79 79 LEU HD22 H 1 0.48 0.02 . 2 . . . . 79 LEU HD2 . 4973 1 996 . 1 1 79 79 LEU HD23 H 1 0.48 0.02 . 2 . . . . 79 LEU HD2 . 4973 1 997 . 1 1 79 79 LEU HG H 1 1.22 0.02 . 1 . . . . 79 LEU HG . 4973 1 998 . 1 1 79 79 LEU C C 13 176.81 0.05 . 1 . . . . 79 LEU C . 4973 1 999 . 1 1 79 79 LEU CA C 13 54.96 0.05 . 1 . . . . 79 LEU CA . 4973 1 1000 . 1 1 79 79 LEU CB C 13 42.35 0.05 . 1 . . . . 79 LEU CB . 4973 1 1001 . 1 1 79 79 LEU CD1 C 13 26.54 0.05 . 2 . . . . 79 LEU CD1 . 4973 1 1002 . 1 1 79 79 LEU CD2 C 13 23.21 0.05 . 2 . . . . 79 LEU CD2 . 4973 1 1003 . 1 1 79 79 LEU CG C 13 26.54 0.05 . 1 . . . . 79 LEU CG . 4973 1 1004 . 1 1 79 79 LEU N N 15 127.81 0.1 . 1 . . . . 79 LEU N . 4973 1 1005 . 1 1 80 80 THR H H 1 8.42 0.02 . 1 . . . . 80 THR HN . 4973 1 1006 . 1 1 80 80 THR HA H 1 4.58 0.02 . 1 . . . . 80 THR HA . 4973 1 1007 . 1 1 80 80 THR HB H 1 3.81 0.02 . 1 . . . . 80 THR HB . 4973 1 1008 . 1 1 80 80 THR HG21 H 1 1.08 0.02 . 1 . . . . 80 THR HG2 . 4973 1 1009 . 1 1 80 80 THR HG22 H 1 1.08 0.02 . 1 . . . . 80 THR HG2 . 4973 1 1010 . 1 1 80 80 THR HG23 H 1 1.08 0.02 . 1 . . . . 80 THR HG2 . 4973 1 1011 . 1 1 80 80 THR C C 13 172.87 0.05 . 1 . . . . 80 THR C . 4973 1 1012 . 1 1 80 80 THR CA C 13 59.81 0.05 . 1 . . . . 80 THR CA . 4973 1 1013 . 1 1 80 80 THR CB C 13 71.85 0.05 . 1 . . . . 80 THR CB . 4973 1 1014 . 1 1 80 80 THR CG2 C 13 19.96 0.05 . 1 . . . . 80 THR CG2 . 4973 1 1015 . 1 1 80 80 THR N N 15 122.34 0.1 . 1 . . . . 80 THR N . 4973 1 1016 . 1 1 81 81 ASP H H 1 8.33 0.02 . 1 . . . . 81 ASP HN . 4973 1 1017 . 1 1 81 81 ASP HA H 1 4.53 0.02 . 1 . . . . 81 ASP HA . 4973 1 1018 . 1 1 81 81 ASP HB2 H 1 2.67 0.02 . 1 . . . . 81 ASP HB . 4973 1 1019 . 1 1 81 81 ASP HB3 H 1 2.67 0.02 . 1 . . . . 81 ASP HB . 4973 1 1020 . 1 1 81 81 ASP C C 13 177.79 0.05 . 1 . . . . 81 ASP C . 4973 1 1021 . 1 1 81 81 ASP CA C 13 54.82 0.05 . 1 . . . . 81 ASP CA . 4973 1 1022 . 1 1 81 81 ASP CB C 13 41.15 0.05 . 1 . . . . 81 ASP CB . 4973 1 1023 . 1 1 81 81 ASP N N 15 123.31 0.1 . 1 . . . . 81 ASP N . 4973 1 1024 . 1 1 82 82 CYS H H 1 9.03 0.02 . 1 . . . . 82 CYS HN . 4973 1 1025 . 1 1 82 82 CYS HA H 1 4.47 0.02 . 1 . . . . 82 CYS HA . 4973 1 1026 . 1 1 82 82 CYS HB2 H 1 2.85 0.02 . 2 . . . . 82 CYS HB2 . 4973 1 1027 . 1 1 82 82 CYS HB3 H 1 3.08 0.02 . 2 . . . . 82 CYS HB3 . 4973 1 1028 . 1 1 82 82 CYS C C 13 175.83 0.05 . 1 . . . . 82 CYS C . 4973 1 1029 . 1 1 82 82 CYS CA C 13 54.82 0.05 . 1 . . . . 82 CYS CA . 4973 1 1030 . 1 1 82 82 CYS CB C 13 41.58 0.05 . 1 . . . . 82 CYS CB . 4973 1 1031 . 1 1 82 82 CYS N N 15 122.02 0.1 . 1 . . . . 82 CYS N . 4973 1 1032 . 1 1 83 83 GLU H H 1 8.66 0.02 . 1 . . . . 83 GLU HN . 4973 1 1033 . 1 1 83 83 GLU HA H 1 4.23 0.02 . 1 . . . . 83 GLU HA . 4973 1 1034 . 1 1 83 83 GLU HB2 H 1 2.10 0.02 . 1 . . . . 83 GLU HB . 4973 1 1035 . 1 1 83 83 GLU HB3 H 1 2.10 0.02 . 1 . . . . 83 GLU HB . 4973 1 1036 . 1 1 83 83 GLU HG2 H 1 2.30 0.02 . 1 . . . . 83 GLU HG . 4973 1 1037 . 1 1 83 83 GLU HG3 H 1 2.30 0.02 . 1 . . . . 83 GLU HG . 4973 1 1038 . 1 1 83 83 GLU C C 13 177.23 0.05 . 1 . . . . 83 GLU C . 4973 1 1039 . 1 1 83 83 GLU CA C 13 56.80 0.05 . 1 . . . . 83 GLU CA . 4973 1 1040 . 1 1 83 83 GLU CB C 13 30.11 0.05 . 1 . . . . 83 GLU CB . 4973 1 1041 . 1 1 83 83 GLU CG C 13 36.00 0.05 . 1 . . . . 83 GLU CG . 4973 1 1042 . 1 1 83 83 GLU N N 15 121.38 0.1 . 1 . . . . 83 GLU N . 4973 1 1043 . 1 1 84 84 GLY H H 1 8.46 0.02 . 1 . . . . 84 GLY HN . 4973 1 1044 . 1 1 84 84 GLY HA2 H 1 3.92 0.02 . 2 . . . . 84 GLY HA1 . 4973 1 1045 . 1 1 84 84 GLY HA3 H 1 3.94 0.02 . 2 . . . . 84 GLY HA2 . 4973 1 1046 . 1 1 84 84 GLY C C 13 174.73 0.05 . 1 . . . . 84 GLY C . 4973 1 1047 . 1 1 84 84 GLY CA C 13 45.47 0.05 . 1 . . . . 84 GLY CA . 4973 1 1048 . 1 1 84 84 GLY N N 15 109.82 0.1 . 1 . . . . 84 GLY N . 4973 1 1049 . 1 1 85 85 LYS H H 1 8.12 0.02 . 1 . . . . 85 LYS HN . 4973 1 1050 . 1 1 85 85 LYS HA H 1 4.32 0.02 . 1 . . . . 85 LYS HA . 4973 1 1051 . 1 1 85 85 LYS HB2 H 1 1.78 0.02 . 2 . . . . 85 LYS HB2 . 4973 1 1052 . 1 1 85 85 LYS HB3 H 1 1.85 0.02 . 2 . . . . 85 LYS HB3 . 4973 1 1053 . 1 1 85 85 LYS HD2 H 1 1.71 0.02 . 1 . . . . 85 LYS HD . 4973 1 1054 . 1 1 85 85 LYS HD3 H 1 1.71 0.02 . 1 . . . . 85 LYS HD . 4973 1 1055 . 1 1 85 85 LYS HE2 H 1 3.01 0.02 . 1 . . . . 85 LYS HE . 4973 1 1056 . 1 1 85 85 LYS HE3 H 1 3.01 0.02 . 1 . . . . 85 LYS HE . 4973 1 1057 . 1 1 85 85 LYS HG2 H 1 1.41 0.02 . 2 . . . . 85 LYS HG2 . 4973 1 1058 . 1 1 85 85 LYS HG3 H 1 1.37 0.02 . 2 . . . . 85 LYS HG3 . 4973 1 1059 . 1 1 85 85 LYS C C 13 176.65 0.05 . 1 . . . . 85 LYS C . 4973 1 1060 . 1 1 85 85 LYS CA C 13 56.33 0.05 . 1 . . . . 85 LYS CA . 4973 1 1061 . 1 1 85 85 LYS CB C 13 32.84 0.05 . 1 . . . . 85 LYS CB . 4973 1 1062 . 1 1 85 85 LYS CD C 13 28.86 0.05 . 1 . . . . 85 LYS CD . 4973 1 1063 . 1 1 85 85 LYS CE C 13 42.09 0.05 . 1 . . . . 85 LYS CE . 4973 1 1064 . 1 1 85 85 LYS CG C 13 24.26 0.05 . 1 . . . . 85 LYS CG . 4973 1 1065 . 1 1 85 85 LYS N N 15 120.42 0.1 . 1 . . . . 85 LYS N . 4973 1 1066 . 1 1 86 86 ASP H H 1 8.47 0.02 . 1 . . . . 86 ASP HN . 4973 1 1067 . 1 1 86 86 ASP HA H 1 4.64 0.02 . 1 . . . . 86 ASP HA . 4973 1 1068 . 1 1 86 86 ASP HB2 H 1 2.68 0.02 . 1 . . . . 86 ASP HB . 4973 1 1069 . 1 1 86 86 ASP HB3 H 1 2.68 0.02 . 1 . . . . 86 ASP HB . 4973 1 1070 . 1 1 86 86 ASP C C 13 176.18 0.05 . 1 . . . . 86 ASP C . 4973 1 1071 . 1 1 86 86 ASP CA C 13 54.21 0.05 . 1 . . . . 86 ASP CA . 4973 1 1072 . 1 1 86 86 ASP CB C 13 41.25 0.05 . 1 . . . . 86 ASP CB . 4973 1 1073 . 1 1 86 86 ASP N N 15 121.06 0.1 . 1 . . . . 86 ASP N . 4973 1 1074 . 1 1 87 87 ALA H H 1 8.28 0.02 . 1 . . . . 87 ALA HN . 4973 1 1075 . 1 1 87 87 ALA HA H 1 4.33 0.02 . 1 . . . . 87 ALA HA . 4973 1 1076 . 1 1 87 87 ALA HB1 H 1 1.37 0.02 . 1 . . . . 87 ALA HB . 4973 1 1077 . 1 1 87 87 ALA HB2 H 1 1.37 0.02 . 1 . . . . 87 ALA HB . 4973 1 1078 . 1 1 87 87 ALA HB3 H 1 1.37 0.02 . 1 . . . . 87 ALA HB . 4973 1 1079 . 1 1 87 87 ALA CA C 13 52.77 0.05 . 1 . . . . 87 ALA CA . 4973 1 1080 . 1 1 87 87 ALA CB C 13 19.29 0.05 . 1 . . . . 87 ALA CB . 4973 1 1081 . 1 1 87 87 ALA N N 15 124.59 0.1 . 1 . . . . 87 ALA N . 4973 1 1082 . 1 1 88 88 GLY H H 1 8.44 0.02 . 1 . . . . 88 GLY HN . 4973 1 1083 . 1 1 88 88 GLY HA2 H 1 3.97 0.02 . 2 . . . . 88 GLY HA1 . 4973 1 1084 . 1 1 88 88 GLY HA3 H 1 4.27 0.02 . 2 . . . . 88 GLY HA2 . 4973 1 1085 . 1 1 88 88 GLY CA C 13 45.33 0.05 . 1 . . . . 88 GLY CA . 4973 1 1086 . 1 1 88 88 GLY N N 15 107.25 0.1 . 1 . . . . 88 GLY N . 4973 1 1087 . 1 1 89 89 ASN H H 1 8.24 0.02 . 1 . . . . 89 ASN HN . 4973 1 1088 . 1 1 89 89 ASN HA H 1 4.73 0.02 . 1 . . . . 89 ASN HA . 4973 1 1089 . 1 1 89 89 ASN HB2 H 1 2.82 0.02 . 1 . . . . 89 ASN HB . 4973 1 1090 . 1 1 89 89 ASN HB3 H 1 2.82 0.02 . 1 . . . . 89 ASN HB . 4973 1 1091 . 1 1 89 89 ASN HD21 H 1 6.96 0.02 . 2 . . . . 89 ASN HD21 . 4973 1 1092 . 1 1 89 89 ASN HD22 H 1 7.67 0.02 . 2 . . . . 89 ASN HD22 . 4973 1 1093 . 1 1 89 89 ASN CA C 13 52.98 0.05 . 1 . . . . 89 ASN CA . 4973 1 1094 . 1 1 89 89 ASN CB C 13 39.07 0.05 . 1 . . . . 89 ASN CB . 4973 1 1095 . 1 1 89 89 ASN CG C 13 178.53 0.05 . 1 . . . . 89 ASN CG . 4973 1 1096 . 1 1 89 89 ASN N N 15 118.49 0.1 . 1 . . . . 89 ASN N . 4973 1 1097 . 1 1 89 89 ASN ND2 N 15 112.62 0.1 . 1 . . . . 89 ASN ND2 . 4973 1 1098 . 1 1 90 90 ALA H H 1 8.33 0.02 . 1 . . . . 90 ALA HN . 4973 1 1099 . 1 1 90 90 ALA HA H 1 4.31 0.02 . 1 . . . . 90 ALA HA . 4973 1 1100 . 1 1 90 90 ALA HB1 H 1 1.42 0.02 . 1 . . . . 90 ALA HB . 4973 1 1101 . 1 1 90 90 ALA HB2 H 1 1.42 0.02 . 1 . . . . 90 ALA HB . 4973 1 1102 . 1 1 90 90 ALA HB3 H 1 1.42 0.02 . 1 . . . . 90 ALA HB . 4973 1 1103 . 1 1 90 90 ALA CA C 13 52.57 0.05 . 1 . . . . 90 ALA CA . 4973 1 1104 . 1 1 90 90 ALA CB C 13 19.18 0.05 . 1 . . . . 90 ALA CB . 4973 1 1105 . 1 1 90 90 ALA N N 15 124.59 0.1 . 1 . . . . 90 ALA N . 4973 1 1106 . 1 1 91 91 ALA H H 1 8.29 0.02 . 1 . . . . 91 ALA HN . 4973 1 1107 . 1 1 91 91 ALA HA H 1 4.26 0.02 . 1 . . . . 91 ALA HA . 4973 1 1108 . 1 1 91 91 ALA HB1 H 1 1.44 0.02 . 1 . . . . 91 ALA HB . 4973 1 1109 . 1 1 91 91 ALA HB2 H 1 1.44 0.02 . 1 . . . . 91 ALA HB . 4973 1 1110 . 1 1 91 91 ALA HB3 H 1 1.44 0.02 . 1 . . . . 91 ALA HB . 4973 1 1111 . 1 1 91 91 ALA CA C 13 52.57 0.05 . 1 . . . . 91 ALA CA . 4973 1 1112 . 1 1 91 91 ALA CB C 13 19.29 0.05 . 1 . . . . 91 ALA CB . 4973 1 1113 . 1 1 91 91 ALA N N 15 122.99 0.1 . 1 . . . . 91 ALA N . 4973 1 1114 . 1 1 92 92 GLY H H 1 8.34 0.02 . 1 . . . . 92 GLY HN . 4973 1 1115 . 1 1 92 92 GLY HA2 H 1 4.00 0.02 . 2 . . . . 92 GLY HA1 . 4973 1 1116 . 1 1 92 92 GLY HA3 H 1 4.04 0.02 . 2 . . . . 92 GLY HA2 . 4973 1 1117 . 1 1 92 92 GLY C C 13 174.86 0.05 . 1 . . . . 92 GLY C . 4973 1 1118 . 1 1 92 92 GLY CA C 13 45.19 0.05 . 1 . . . . 92 GLY CA . 4973 1 1119 . 1 1 92 92 GLY N N 15 107.89 0.1 . 1 . . . . 92 GLY N . 4973 1 1120 . 1 1 93 93 THR H H 1 8.19 0.02 . 1 . . . . 93 THR HN . 4973 1 1121 . 1 1 93 93 THR HA H 1 4.41 0.02 . 1 . . . . 93 THR HA . 4973 1 1122 . 1 1 93 93 THR HB H 1 4.28 0.02 . 1 . . . . 93 THR HB . 4973 1 1123 . 1 1 93 93 THR HG21 H 1 1.22 0.02 . 1 . . . . 93 THR HG2 . 4973 1 1124 . 1 1 93 93 THR HG22 H 1 1.22 0.02 . 1 . . . . 93 THR HG2 . 4973 1 1125 . 1 1 93 93 THR HG23 H 1 1.22 0.02 . 1 . . . . 93 THR HG2 . 4973 1 1126 . 1 1 93 93 THR CA C 13 61.72 0.05 . 1 . . . . 93 THR CA . 4973 1 1127 . 1 1 93 93 THR CB C 13 69.89 0.05 . 1 . . . . 93 THR CB . 4973 1 1128 . 1 1 93 93 THR CG2 C 13 20.92 0.05 . 1 . . . . 93 THR CG2 . 4973 1 1129 . 1 1 93 93 THR N N 15 112.39 0.1 . 1 . . . . 93 THR N . 4973 1 1130 . 1 1 94 94 GLY H H 1 8.56 0.02 . 1 . . . . 94 GLY HN . 4973 1 1131 . 1 1 94 94 GLY HA2 H 1 4.03 0.02 . 1 . . . . 94 GLY HA . 4973 1 1132 . 1 1 94 94 GLY HA3 H 1 4.03 0.02 . 1 . . . . 94 GLY HA . 4973 1 1133 . 1 1 94 94 GLY C C 13 174.90 0.05 . 1 . . . . 94 GLY C . 4973 1 1134 . 1 1 94 94 GLY CA C 13 45.26 0.05 . 1 . . . . 94 GLY CA . 4973 1 1135 . 1 1 94 94 GLY N N 15 111.10 0.1 . 1 . . . . 94 GLY N . 4973 1 1136 . 1 1 95 95 ASP H H 1 8.27 0.02 . 1 . . . . 95 ASP HN . 4973 1 1137 . 1 1 95 95 ASP HA H 1 4.66 0.02 . 1 . . . . 95 ASP HA . 4973 1 1138 . 1 1 95 95 ASP HB2 H 1 2.66 0.02 . 1 . . . . 95 ASP HB . 4973 1 1139 . 1 1 95 95 ASP HB3 H 1 2.66 0.02 . 1 . . . . 95 ASP HB . 4973 1 1140 . 1 1 95 95 ASP C C 13 175.82 0.05 . 1 . . . . 95 ASP C . 4973 1 1141 . 1 1 95 95 ASP CA C 13 54.21 0.05 . 1 . . . . 95 ASP CA . 4973 1 1142 . 1 1 95 95 ASP CB C 13 41.36 0.05 . 1 . . . . 95 ASP CB . 4973 1 1143 . 1 1 95 95 ASP N N 15 120.42 0.1 . 1 . . . . 95 ASP N . 4973 1 1144 . 1 1 96 96 GLU H H 1 8.50 0.02 . 1 . . . . 96 GLU HN . 4973 1 1145 . 1 1 96 96 GLU HA H 1 4.37 0.02 . 1 . . . . 96 GLU HA . 4973 1 1146 . 1 1 96 96 GLU HB2 H 1 2.06 0.02 . 2 . . . . 96 GLU HB2 . 4973 1 1147 . 1 1 96 96 GLU HB3 H 1 2.04 0.02 . 2 . . . . 96 GLU HB3 . 4973 1 1148 . 1 1 96 96 GLU HG2 H 1 2.26 0.02 . 2 . . . . 96 GLU HG2 . 4973 1 1149 . 1 1 96 96 GLU HG3 H 1 2.25 0.02 . 2 . . . . 96 GLU HG3 . 4973 1 1150 . 1 1 96 96 GLU C C 13 176.83 0.05 . 1 . . . . 96 GLU C . 4973 1 1151 . 1 1 96 96 GLU CA C 13 56.67 0.05 . 1 . . . . 96 GLU CA . 4973 1 1152 . 1 1 96 96 GLU CB C 13 30.00 0.05 . 1 . . . . 96 GLU CB . 4973 1 1153 . 1 1 96 96 GLU CG C 13 35.46 0.05 . 1 . . . . 96 GLU CG . 4973 1 1154 . 1 1 96 96 GLU N N 15 121.06 0.1 . 1 . . . . 96 GLU N . 4973 1 1155 . 1 1 97 97 SER H H 1 8.37 0.02 . 1 . . . . 97 SER HN . 4973 1 1156 . 1 1 97 97 SER HA H 1 4.47 0.02 . 1 . . . . 97 SER HA . 4973 1 1157 . 1 1 97 97 SER HB2 H 1 3.86 0.02 . 1 . . . . 97 SER HB . 4973 1 1158 . 1 1 97 97 SER HB3 H 1 3.86 0.02 . 1 . . . . 97 SER HB . 4973 1 1159 . 1 1 97 97 SER C C 13 174.56 0.05 . 1 . . . . 97 SER C . 4973 1 1160 . 1 1 97 97 SER CA C 13 58.24 0.05 . 1 . . . . 97 SER CA . 4973 1 1161 . 1 1 97 97 SER CB C 13 63.99 0.05 . 1 . . . . 97 SER CB . 4973 1 1162 . 1 1 97 97 SER N N 15 116.24 0.1 . 1 . . . . 97 SER N . 4973 1 1163 . 1 1 98 98 ASP H H 1 8.38 0.02 . 1 . . . . 98 ASP HN . 4973 1 1164 . 1 1 98 98 ASP HA H 1 4.66 0.02 . 1 . . . . 98 ASP HA . 4973 1 1165 . 1 1 98 98 ASP HB2 H 1 2.60 0.02 . 2 . . . . 98 ASP HB2 . 4973 1 1166 . 1 1 98 98 ASP HB3 H 1 2.72 0.02 . 2 . . . . 98 ASP HB3 . 4973 1 1167 . 1 1 98 98 ASP C C 13 176.08 0.05 . 1 . . . . 98 ASP C . 4973 1 1168 . 1 1 98 98 ASP CA C 13 54.21 0.05 . 1 . . . . 98 ASP CA . 4973 1 1169 . 1 1 98 98 ASP CB C 13 41.15 0.05 . 1 . . . . 98 ASP CB . 4973 1 1170 . 1 1 98 98 ASP N N 15 122.67 0.1 . 1 . . . . 98 ASP N . 4973 1 1171 . 1 1 99 99 GLU H H 1 8.28 0.02 . 1 . . . . 99 GLU HN . 4973 1 1172 . 1 1 99 99 GLU HA H 1 4.31 0.02 . 1 . . . . 99 GLU HA . 4973 1 1173 . 1 1 99 99 GLU HB2 H 1 1.92 0.02 . 2 . . . . 99 GLU HB2 . 4973 1 1174 . 1 1 99 99 GLU HB3 H 1 2.08 0.02 . 2 . . . . 99 GLU HB3 . 4973 1 1175 . 1 1 99 99 GLU HG2 H 1 2.88 0.02 . 2 . . . . 99 GLU HG2 . 4973 1 1176 . 1 1 99 99 GLU HG3 H 1 2.31 0.02 . 2 . . . . 99 GLU HG3 . 4973 1 1177 . 1 1 99 99 GLU C C 13 176.54 0.05 . 1 . . . . 99 GLU C . 4973 1 1178 . 1 1 99 99 GLU CA C 13 56.26 0.05 . 1 . . . . 99 GLU CA . 4973 1 1179 . 1 1 99 99 GLU CB C 13 30.33 0.05 . 1 . . . . 99 GLU CB . 4973 1 1180 . 1 1 99 99 GLU CG C 13 35.80 0.05 . 1 . . . . 99 GLU CG . 4973 1 1181 . 1 1 99 99 GLU N N 15 121.06 0.1 . 1 . . . . 99 GLU N . 4973 1 1182 . 1 1 100 100 VAL H H 1 8.20 0.02 . 1 . . . . 100 VAL HN . 4973 1 1183 . 1 1 100 100 VAL HA H 1 4.18 0.02 . 1 . . . . 100 VAL HA . 4973 1 1184 . 1 1 100 100 VAL HB H 1 2.08 0.02 . 1 . . . . 100 VAL HB . 4973 1 1185 . 1 1 100 100 VAL HG11 H 1 0.93 0.02 . 1 . . . . 100 VAL HG . 4973 1 1186 . 1 1 100 100 VAL HG12 H 1 0.93 0.02 . 1 . . . . 100 VAL HG . 4973 1 1187 . 1 1 100 100 VAL HG13 H 1 0.93 0.02 . 1 . . . . 100 VAL HG . 4973 1 1188 . 1 1 100 100 VAL HG21 H 1 0.93 0.02 . 1 . . . . 100 VAL HG . 4973 1 1189 . 1 1 100 100 VAL HG22 H 1 0.93 0.02 . 1 . . . . 100 VAL HG . 4973 1 1190 . 1 1 100 100 VAL HG23 H 1 0.93 0.02 . 1 . . . . 100 VAL HG . 4973 1 1191 . 1 1 100 100 VAL C C 13 175.90 0.05 . 1 . . . . 100 VAL C . 4973 1 1192 . 1 1 100 100 VAL CA C 13 61.72 0.05 . 1 . . . . 100 VAL CA . 4973 1 1193 . 1 1 100 100 VAL CB C 13 33.06 0.05 . 1 . . . . 100 VAL CB . 4973 1 1194 . 1 1 100 100 VAL CG1 C 13 20.77 0.05 . 1 . . . . 100 VAL CG1 . 4973 1 1195 . 1 1 100 100 VAL CG2 C 13 20.77 0.05 . 1 . . . . 100 VAL CG2 . 4973 1 1196 . 1 1 100 100 VAL N N 15 121.06 0.1 . 1 . . . . 100 VAL N . 4973 1 1197 . 1 1 101 101 ASP H H 1 8.47 0.02 . 1 . . . . 101 ASP HN . 4973 1 1198 . 1 1 101 101 ASP HA H 1 4.66 0.02 . 1 . . . . 101 ASP HA . 4973 1 1199 . 1 1 101 101 ASP HB2 H 1 2.62 0.02 . 2 . . . . 101 ASP HB2 . 4973 1 1200 . 1 1 101 101 ASP HB3 H 1 2.73 0.02 . 2 . . . . 101 ASP HB3 . 4973 1 1201 . 1 1 101 101 ASP C C 13 176.09 0.05 . 1 . . . . 101 ASP C . 4973 1 1202 . 1 1 101 101 ASP CA C 13 54.14 0.05 . 1 . . . . 101 ASP CA . 4973 1 1203 . 1 1 101 101 ASP CB C 13 41.25 0.05 . 1 . . . . 101 ASP CB . 4973 1 1204 . 1 1 101 101 ASP N N 15 124.59 0.1 . 1 . . . . 101 ASP N . 4973 1 1205 . 1 1 102 102 GLU H H 1 8.35 0.02 . 1 . . . . 102 GLU HN . 4973 1 1206 . 1 1 102 102 GLU CA C 13 56.05 0.05 . 1 . . . . 102 GLU CA . 4973 1 1207 . 1 1 102 102 GLU CB C 13 30.87 0.05 . 1 . . . . 102 GLU CB . 4973 1 1208 . 1 1 102 102 GLU N N 15 121.70 0.1 . 1 . . . . 102 GLU N . 4973 1 1209 . 1 1 103 103 ASP H H 1 8.06 0.02 . 1 . . . . 103 ASP HN . 4973 1 1210 . 1 1 103 103 ASP HA H 1 4.66 0.02 . 1 . . . . 103 ASP HA . 4973 1 1211 . 1 1 103 103 ASP HB2 H 1 2.60 0.02 . 2 . . . . 103 ASP HB2 . 4973 1 1212 . 1 1 103 103 ASP HB3 H 1 2.72 0.02 . 2 . . . . 103 ASP HB3 . 4973 1 1213 . 1 1 103 103 ASP CA C 13 55.92 0.05 . 1 . . . . 103 ASP CA . 4973 1 1214 . 1 1 103 103 ASP CB C 13 41.36 0.05 . 1 . . . . 103 ASP CB . 4973 1 1215 . 1 1 103 103 ASP N N 15 126.84 0.1 . 1 . . . . 103 ASP N . 4973 1 stop_ save_