data_5075 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5075 _Entry.Title ; Solution Structure of Human Apolipoprotein(a) Kringle IV type 6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-07-09 _Entry.Accession_date 2001-07-09 _Entry.Last_release_date 2001-07-09 _Entry.Original_release_date 2001-07-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 B. Maderegger . . . . 5075 2 W. Bermel . . . . 5075 3 A. Hrzenjak . . . . 5075 4 G. Kostner . M. . . 5075 5 H. Sterk . . . . 5075 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5075 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 388 5075 '15N chemical shifts' 110 5075 '1H chemical shifts' 612 5075 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-02-13 . original BMRB . 5075 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5075 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21639988 _Citation.DOI . _Citation.PubMed_ID 11781107 _Citation.Full_citation . _Citation.Title ; Solution Structure of Human Apolipoprotein(a) Kringle IV type 6 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 41 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 660 _Citation.Page_last 668 _Citation.Year 2002 _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 B. Maderegger . . . . 5075 1 2 W. Bermel . . . . 5075 1 3 A. Hrzenjak . . . . 5075 1 4 G. Kostner . M. . . 5075 1 5 H. Sterk . . . . 5075 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Lp(a) 5075 1 'kringle domain' 5075 1 'protein-protein recognition' 5075 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_APO(a)_KIVT6 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_APO(a)_KIVT6 _Assembly.Entry_ID 5075 _Assembly.ID 1 _Assembly.Name 'Apolipoprotein(a) kringle IV type 6' _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 5075 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 'Apolipoprotein(a)kringle IV type 6' 1 $APO(a)_KIVT6 . . . native . . . . . 5075 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_asym_ID_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_asym_ID_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 25 25 SG . 1 . 1 CYS 102 102 SG . . . . . . . . . . . . 5075 1 2 disulfide single . 1 . 1 CYS 46 46 SG . 1 . 1 CYS 85 85 SG . . . . . . . . . . . . 5075 1 3 disulfide single . 1 . 1 CYS 74 74 SG . 1 . 1 CYS 97 97 SG . . . . . . . . . . . . 5075 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1JFN . . . . . . 5075 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'APO(a) KIVT6' abbreviation 5075 1 'Apolipoprotein(a) kringle IV type 6' system 5075 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_APO(a)_KIVT6 _Entity.Sf_category entity _Entity.Sf_framecode APO(a)_KIVT6 _Entity.Entry_ID 5075 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Apolipoprotein(a) kringle IV type6' _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 ; ARIHHHHHHIEGRAPTEQSP GVQDCYHGDGQSYRGSFSTT VTGRTCQSWSSMTPHWHQRT TEYYPNGGLTRNYCRNPDAE ISPWCYTMDPNVRWEYCNLT QCPVTESSVLATSTAVSEQ ; _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . no PDB 1JFN . 'Solution Structure Of Human Apolipoprotein(A) Kringle Iv Type 6' . . . . . 100.00 119 100.00 100.00 9.06e-65 . . . . 5075 1 . no GenBank AAF03677 . 'apolipoprotein(a) [Homo sapiens]' . . . . . 88.24 105 100.00 100.00 7.31e-56 . . . . 5075 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'APO(a) KIVT6' abbreviation 5075 1 'Apolipoprotein(a) kringle IV type6' common 5075 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 . ALA . 5075 1 2 . ARG . 5075 1 3 . ILE . 5075 1 4 . HIS . 5075 1 5 . HIS . 5075 1 6 . HIS . 5075 1 7 . HIS . 5075 1 8 . HIS . 5075 1 9 . HIS . 5075 1 10 . ILE . 5075 1 11 . GLU . 5075 1 12 . GLY . 5075 1 13 . ARG . 5075 1 14 . ALA . 5075 1 15 . PRO . 5075 1 16 . THR . 5075 1 17 . GLU . 5075 1 18 . GLN . 5075 1 19 . SER . 5075 1 20 . PRO . 5075 1 21 . GLY . 5075 1 22 . VAL . 5075 1 23 . GLN . 5075 1 24 . ASP . 5075 1 25 . CYS . 5075 1 26 . TYR . 5075 1 27 . HIS . 5075 1 28 . GLY . 5075 1 29 . ASP . 5075 1 30 . GLY . 5075 1 31 . GLN . 5075 1 32 . SER . 5075 1 33 . TYR . 5075 1 34 . ARG . 5075 1 35 . GLY . 5075 1 36 . SER . 5075 1 37 . PHE . 5075 1 38 . SER . 5075 1 39 . THR . 5075 1 40 . THR . 5075 1 41 . VAL . 5075 1 42 . THR . 5075 1 43 . GLY . 5075 1 44 . ARG . 5075 1 45 . THR . 5075 1 46 . CYS . 5075 1 47 . GLN . 5075 1 48 . SER . 5075 1 49 . TRP . 5075 1 50 . SER . 5075 1 51 . SER . 5075 1 52 . MET . 5075 1 53 . THR . 5075 1 54 . PRO . 5075 1 55 . HIS . 5075 1 56 . TRP . 5075 1 57 . HIS . 5075 1 58 . GLN . 5075 1 59 . ARG . 5075 1 60 . THR . 5075 1 61 . THR . 5075 1 62 . GLU . 5075 1 63 . TYR . 5075 1 64 . TYR . 5075 1 65 . PRO . 5075 1 66 . ASN . 5075 1 67 . GLY . 5075 1 68 . GLY . 5075 1 69 . LEU . 5075 1 70 . THR . 5075 1 71 . ARG . 5075 1 72 . ASN . 5075 1 73 . TYR . 5075 1 74 . CYS . 5075 1 75 . ARG . 5075 1 76 . ASN . 5075 1 77 . PRO . 5075 1 78 . ASP . 5075 1 79 . ALA . 5075 1 80 . GLU . 5075 1 81 . ILE . 5075 1 82 . SER . 5075 1 83 . PRO . 5075 1 84 . TRP . 5075 1 85 . CYS . 5075 1 86 . TYR . 5075 1 87 . THR . 5075 1 88 . MET . 5075 1 89 . ASP . 5075 1 90 . PRO . 5075 1 91 . ASN . 5075 1 92 . VAL . 5075 1 93 . ARG . 5075 1 94 . TRP . 5075 1 95 . GLU . 5075 1 96 . TYR . 5075 1 97 . CYS . 5075 1 98 . ASN . 5075 1 99 . LEU . 5075 1 100 . THR . 5075 1 101 . GLN . 5075 1 102 . CYS . 5075 1 103 . PRO . 5075 1 104 . VAL . 5075 1 105 . THR . 5075 1 106 . GLU . 5075 1 107 . SER . 5075 1 108 . SER . 5075 1 109 . VAL . 5075 1 110 . LEU . 5075 1 111 . ALA . 5075 1 112 . THR . 5075 1 113 . SER . 5075 1 114 . THR . 5075 1 115 . ALA . 5075 1 116 . VAL . 5075 1 117 . SER . 5075 1 118 . GLU . 5075 1 119 . GLN . 5075 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 . ALA 1 1 5075 1 . ARG 2 2 5075 1 . ILE 3 3 5075 1 . HIS 4 4 5075 1 . HIS 5 5 5075 1 . HIS 6 6 5075 1 . HIS 7 7 5075 1 . HIS 8 8 5075 1 . HIS 9 9 5075 1 . ILE 10 10 5075 1 . GLU 11 11 5075 1 . GLY 12 12 5075 1 . ARG 13 13 5075 1 . ALA 14 14 5075 1 . PRO 15 15 5075 1 . THR 16 16 5075 1 . GLU 17 17 5075 1 . GLN 18 18 5075 1 . SER 19 19 5075 1 . PRO 20 20 5075 1 . GLY 21 21 5075 1 . VAL 22 22 5075 1 . GLN 23 23 5075 1 . ASP 24 24 5075 1 . CYS 25 25 5075 1 . TYR 26 26 5075 1 . HIS 27 27 5075 1 . GLY 28 28 5075 1 . ASP 29 29 5075 1 . GLY 30 30 5075 1 . GLN 31 31 5075 1 . SER 32 32 5075 1 . TYR 33 33 5075 1 . ARG 34 34 5075 1 . GLY 35 35 5075 1 . SER 36 36 5075 1 . PHE 37 37 5075 1 . SER 38 38 5075 1 . THR 39 39 5075 1 . THR 40 40 5075 1 . VAL 41 41 5075 1 . THR 42 42 5075 1 . GLY 43 43 5075 1 . ARG 44 44 5075 1 . THR 45 45 5075 1 . CYS 46 46 5075 1 . GLN 47 47 5075 1 . SER 48 48 5075 1 . TRP 49 49 5075 1 . SER 50 50 5075 1 . SER 51 51 5075 1 . MET 52 52 5075 1 . THR 53 53 5075 1 . PRO 54 54 5075 1 . HIS 55 55 5075 1 . TRP 56 56 5075 1 . HIS 57 57 5075 1 . GLN 58 58 5075 1 . ARG 59 59 5075 1 . THR 60 60 5075 1 . THR 61 61 5075 1 . GLU 62 62 5075 1 . TYR 63 63 5075 1 . TYR 64 64 5075 1 . PRO 65 65 5075 1 . ASN 66 66 5075 1 . GLY 67 67 5075 1 . GLY 68 68 5075 1 . LEU 69 69 5075 1 . THR 70 70 5075 1 . ARG 71 71 5075 1 . ASN 72 72 5075 1 . TYR 73 73 5075 1 . CYS 74 74 5075 1 . ARG 75 75 5075 1 . ASN 76 76 5075 1 . PRO 77 77 5075 1 . ASP 78 78 5075 1 . ALA 79 79 5075 1 . GLU 80 80 5075 1 . ILE 81 81 5075 1 . SER 82 82 5075 1 . PRO 83 83 5075 1 . TRP 84 84 5075 1 . CYS 85 85 5075 1 . TYR 86 86 5075 1 . THR 87 87 5075 1 . MET 88 88 5075 1 . ASP 89 89 5075 1 . PRO 90 90 5075 1 . ASN 91 91 5075 1 . VAL 92 92 5075 1 . ARG 93 93 5075 1 . TRP 94 94 5075 1 . GLU 95 95 5075 1 . TYR 96 96 5075 1 . CYS 97 97 5075 1 . ASN 98 98 5075 1 . LEU 99 99 5075 1 . THR 100 100 5075 1 . GLN 101 101 5075 1 . CYS 102 102 5075 1 . PRO 103 103 5075 1 . VAL 104 104 5075 1 . THR 105 105 5075 1 . GLU 106 106 5075 1 . SER 107 107 5075 1 . SER 108 108 5075 1 . VAL 109 109 5075 1 . LEU 110 110 5075 1 . ALA 111 111 5075 1 . THR 112 112 5075 1 . SER 113 113 5075 1 . THR 114 114 5075 1 . ALA 115 115 5075 1 . VAL 116 116 5075 1 . SER 117 117 5075 1 . GLU 118 118 5075 1 . GLN 119 119 5075 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 5075 _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 $APO(a)_KIVT6 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 5075 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 5075 _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 $APO(a)_KIVT6 . 'recombinant technology' . . . . . . . . . . . . . . . . 5075 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5075 _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 'Apolipoprotein(a) kringle IV type6' [U-15N] . . 1 $APO(a)_KIVT6 . . 0.7 . . mM . . . . 5075 1 2 'phosphate buffer' . . . . . . . 15 . . mM . . . . 5075 1 3 NaCl . . . . . . . 50 . . mM . . . . 5075 1 4 H2O . . . . . . . 90 . . % . . . . 5075 1 5 D2O . . . . . . . 10 . . % . . . . 5075 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5075 _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 'Apolipoprotein(a) kringle IV type6' '[U-15N; U-13C]' . . 1 $APO(a)_KIVT6 . . 0.7 . . mM . . . . 5075 2 2 'phosphate buffer' . . . . . . . 15 . . mM . . . . 5075 2 3 NaCl . . . . . . . 50 . . mM . . . . 5075 2 4 H2O . . . . . . . 90 . . % . . . . 5075 2 5 D2O . . . . . . . 10 . . % . . . . 5075 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5075 _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' 65 . mM 5075 1 pH 6.5 0.1 n/a 5075 1 pressure 1 . atm 5075 1 temperature 303 1 K 5075 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5075 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version 1.6 _Software.DOI . _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5075 1 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 5075 _Software.ID 2 _Software.Type . _Software.Name ANSIG _Software.Version 3.3 _Software.DOI . _Software.Details Kraulis loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5075 2 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5075 _Software.ID 3 _Software.Type . _Software.Name XWINNMR _Software.Version 2.6 _Software.DOI . _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5075 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 5075 _Software.ID 4 _Software.Type . _Software.Name X-PLOR _Software.Version 3.0 _Software.DOI . _Software.Details Bruenger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5075 4 'structure solution' 5075 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5075 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5075 _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 Varian INOVA . 600 . . . 5075 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 5075 _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 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5075 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5075 1 3 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5075 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 5075 _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 . . . . . 5075 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . direct 1.0 . . . . . 5075 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 5075 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5075 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_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 'Abnormal high-field shift: 69 LEU HD2 -1.01.' _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 '3D 15N-separated NOESY' 1 $sample_1 . 5075 1 2 '3D 13C-separated NOESY' 1 $sample_1 . 5075 1 3 HNHA 1 $sample_1 . 5075 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 9 9 HIS HA H 1 4.59 . . 1 . . . . . . . . . 5075 1 2 . 1 1 9 9 HIS C C 13 174.8 . . 1 . . . . . . . . . 5075 1 3 . 1 1 9 9 HIS CA C 13 56.2 . . 1 . . . . . . . . . 5075 1 4 . 1 1 9 9 HIS CB C 13 30.4 . . 1 . . . . . . . . . 5075 1 5 . 1 1 10 10 ILE H H 1 8.07 . . 1 . . . . . . . . . 5075 1 6 . 1 1 10 10 ILE HA H 1 4.10 . . 1 . . . . . . . . . 5075 1 7 . 1 1 10 10 ILE HB H 1 1.76 . . 1 . . . . . . . . . 5075 1 8 . 1 1 10 10 ILE HG12 H 1 1.35 . . 2 . . . . . . . . . 5075 1 9 . 1 1 10 10 ILE HG13 H 1 1.10 . . 2 . . . . . . . . . 5075 1 10 . 1 1 10 10 ILE HG21 H 1 0.71 . . 1 . . . . . . . . . 5075 1 11 . 1 1 10 10 ILE HG22 H 1 0.71 . . 1 . . . . . . . . . 5075 1 12 . 1 1 10 10 ILE HG23 H 1 0.71 . . 1 . . . . . . . . . 5075 1 13 . 1 1 10 10 ILE HD11 H 1 0.80 . . 1 . . . . . . . . . 5075 1 14 . 1 1 10 10 ILE HD12 H 1 0.80 . . 1 . . . . . . . . . 5075 1 15 . 1 1 10 10 ILE HD13 H 1 0.80 . . 1 . . . . . . . . . 5075 1 16 . 1 1 10 10 ILE C C 13 175.8 . . 1 . . . . . . . . . 5075 1 17 . 1 1 10 10 ILE CA C 13 61.0 . . 1 . . . . . . . . . 5075 1 18 . 1 1 10 10 ILE CB C 13 38.7 . . 1 . . . . . . . . . 5075 1 19 . 1 1 10 10 ILE CG1 C 13 26.8 . . 1 . . . . . . . . . 5075 1 20 . 1 1 10 10 ILE CG2 C 13 17.2 . . 1 . . . . . . . . . 5075 1 21 . 1 1 10 10 ILE CD1 C 13 12.3 . . 1 . . . . . . . . . 5075 1 22 . 1 1 10 10 ILE N N 15 122.8 . . 1 . . . . . . . . . 5075 1 23 . 1 1 11 11 GLU H H 1 8.53 . . 1 . . . . . . . . . 5075 1 24 . 1 1 11 11 GLU HA H 1 4.24 . . 1 . . . . . . . . . 5075 1 25 . 1 1 11 11 GLU HB2 H 1 2.06 . . 2 . . . . . . . . . 5075 1 26 . 1 1 11 11 GLU HB3 H 1 1.95 . . 2 . . . . . . . . . 5075 1 27 . 1 1 11 11 GLU HG2 H 1 2.26 . . 1 . . . . . . . . . 5075 1 28 . 1 1 11 11 GLU HG3 H 1 2.26 . . 1 . . . . . . . . . 5075 1 29 . 1 1 11 11 GLU C C 13 176.8 . . 1 . . . . . . . . . 5075 1 30 . 1 1 11 11 GLU CA C 13 56.8 . . 1 . . . . . . . . . 5075 1 31 . 1 1 11 11 GLU CB C 13 30.3 . . 1 . . . . . . . . . 5075 1 32 . 1 1 11 11 GLU N N 15 125.3 . . 1 . . . . . . . . . 5075 1 33 . 1 1 12 12 GLY H H 1 8.45 . . 1 . . . . . . . . . 5075 1 34 . 1 1 12 12 GLY HA2 H 1 3.93 . . 1 . . . . . . . . . 5075 1 35 . 1 1 12 12 GLY HA3 H 1 3.93 . . 1 . . . . . . . . . 5075 1 36 . 1 1 12 12 GLY C C 13 173.8 . . 1 . . . . . . . . . 5075 1 37 . 1 1 12 12 GLY CA C 13 45.3 . . 1 . . . . . . . . . 5075 1 38 . 1 1 12 12 GLY N N 15 110.3 . . 1 . . . . . . . . . 5075 1 39 . 1 1 13 13 ARG H H 1 8.04 . . 1 . . . . . . . . . 5075 1 40 . 1 1 13 13 ARG HA H 1 4.38 . . 1 . . . . . . . . . 5075 1 41 . 1 1 13 13 ARG HB2 H 1 1.81 . . 2 . . . . . . . . . 5075 1 42 . 1 1 13 13 ARG HB3 H 1 1.71 . . 2 . . . . . . . . . 5075 1 43 . 1 1 13 13 ARG HG2 H 1 1.59 . . 1 . . . . . . . . . 5075 1 44 . 1 1 13 13 ARG HG3 H 1 1.59 . . 1 . . . . . . . . . 5075 1 45 . 1 1 13 13 ARG HD2 H 1 3.16 . . 1 . . . . . . . . . 5075 1 46 . 1 1 13 13 ARG HD3 H 1 3.16 . . 1 . . . . . . . . . 5075 1 47 . 1 1 13 13 ARG C C 13 175.6 . . 1 . . . . . . . . . 5075 1 48 . 1 1 13 13 ARG CA C 13 55.5 . . 1 . . . . . . . . . 5075 1 49 . 1 1 13 13 ARG CB C 13 31.3 . . 1 . . . . . . . . . 5075 1 50 . 1 1 13 13 ARG N N 15 120.2 . . 1 . . . . . . . . . 5075 1 51 . 1 1 14 14 ALA H H 1 8.55 . . 1 . . . . . . . . . 5075 1 52 . 1 1 14 14 ALA HA H 1 4.54 . . 1 . . . . . . . . . 5075 1 53 . 1 1 14 14 ALA HB1 H 1 1.35 . . 1 . . . . . . . . . 5075 1 54 . 1 1 14 14 ALA HB2 H 1 1.35 . . 1 . . . . . . . . . 5075 1 55 . 1 1 14 14 ALA HB3 H 1 1.35 . . 1 . . . . . . . . . 5075 1 56 . 1 1 14 14 ALA CA C 13 50.6 . . 1 . . . . . . . . . 5075 1 57 . 1 1 14 14 ALA CB C 13 18.0 . . 1 . . . . . . . . . 5075 1 58 . 1 1 14 14 ALA N N 15 127.6 . . 1 . . . . . . . . . 5075 1 59 . 1 1 15 15 PRO HA H 1 4.46 . . 1 . . . . . . . . . 5075 1 60 . 1 1 15 15 PRO C C 13 177.1 . . 1 . . . . . . . . . 5075 1 61 . 1 1 15 15 PRO CA C 13 63.4 . . 1 . . . . . . . . . 5075 1 62 . 1 1 15 15 PRO CB C 13 31.9 . . 1 . . . . . . . . . 5075 1 63 . 1 1 16 16 THR H H 1 8.06 . . 1 . . . . . . . . . 5075 1 64 . 1 1 16 16 THR HA H 1 4.32 . . 1 . . . . . . . . . 5075 1 65 . 1 1 16 16 THR HB H 1 4.24 . . 1 . . . . . . . . . 5075 1 66 . 1 1 16 16 THR HG21 H 1 1.20 . . 1 . . . . . . . . . 5075 1 67 . 1 1 16 16 THR HG22 H 1 1.20 . . 1 . . . . . . . . . 5075 1 68 . 1 1 16 16 THR HG23 H 1 1.20 . . 1 . . . . . . . . . 5075 1 69 . 1 1 16 16 THR C C 13 174.7 . . 1 . . . . . . . . . 5075 1 70 . 1 1 16 16 THR CA C 13 61.8 . . 1 . . . . . . . . . 5075 1 71 . 1 1 16 16 THR CB C 13 69.7 . . 1 . . . . . . . . . 5075 1 72 . 1 1 16 16 THR N N 15 112.9 . . 1 . . . . . . . . . 5075 1 73 . 1 1 17 17 GLU H H 1 8.33 . . 1 . . . . . . . . . 5075 1 74 . 1 1 17 17 GLU HA H 1 4.30 . . 1 . . . . . . . . . 5075 1 75 . 1 1 17 17 GLU HB2 H 1 2.07 . . 2 . . . . . . . . . 5075 1 76 . 1 1 17 17 GLU HB3 H 1 1.94 . . 2 . . . . . . . . . 5075 1 77 . 1 1 17 17 GLU HG2 H 1 2.30 . . 1 . . . . . . . . . 5075 1 78 . 1 1 17 17 GLU HG3 H 1 2.30 . . 1 . . . . . . . . . 5075 1 79 . 1 1 17 17 GLU C C 13 176.2 . . 1 . . . . . . . . . 5075 1 80 . 1 1 17 17 GLU CA C 13 56.7 . . 1 . . . . . . . . . 5075 1 81 . 1 1 17 17 GLU CB C 13 30.4 . . 1 . . . . . . . . . 5075 1 82 . 1 1 17 17 GLU N N 15 122.7 . . 1 . . . . . . . . . 5075 1 83 . 1 1 18 18 GLN H H 1 8.37 . . 1 . . . . . . . . . 5075 1 84 . 1 1 18 18 GLN HA H 1 4.45 . . 1 . . . . . . . . . 5075 1 85 . 1 1 18 18 GLN HB2 H 1 2.08 . . 2 . . . . . . . . . 5075 1 86 . 1 1 18 18 GLN HB3 H 1 1.86 . . 2 . . . . . . . . . 5075 1 87 . 1 1 18 18 GLN HG2 H 1 2.25 . . 1 . . . . . . . . . 5075 1 88 . 1 1 18 18 GLN HG3 H 1 2.25 . . 1 . . . . . . . . . 5075 1 89 . 1 1 18 18 GLN C C 13 175.7 . . 1 . . . . . . . . . 5075 1 90 . 1 1 18 18 GLN CA C 13 55.7 . . 1 . . . . . . . . . 5075 1 91 . 1 1 18 18 GLN CB C 13 29.9 . . 1 . . . . . . . . . 5075 1 92 . 1 1 18 18 GLN N N 15 121.5 . . 1 . . . . . . . . . 5075 1 93 . 1 1 19 19 SER H H 1 8.40 . . 1 . . . . . . . . . 5075 1 94 . 1 1 19 19 SER HA H 1 4.35 . . 1 . . . . . . . . . 5075 1 95 . 1 1 19 19 SER HB2 H 1 3.84 . . 1 . . . . . . . . . 5075 1 96 . 1 1 19 19 SER HB3 H 1 3.84 . . 1 . . . . . . . . . 5075 1 97 . 1 1 19 19 SER CA C 13 56.5 . . 1 . . . . . . . . . 5075 1 98 . 1 1 19 19 SER CB C 13 63.7 . . 1 . . . . . . . . . 5075 1 99 . 1 1 19 19 SER N N 15 118.6 . . 1 . . . . . . . . . 5075 1 100 . 1 1 20 20 PRO HA H 1 4.45 . . 1 . . . . . . . . . 5075 1 101 . 1 1 20 20 PRO C C 13 177.5 . . 1 . . . . . . . . . 5075 1 102 . 1 1 20 20 PRO CA C 13 63.6 . . 1 . . . . . . . . . 5075 1 103 . 1 1 20 20 PRO CB C 13 31.9 . . 1 . . . . . . . . . 5075 1 104 . 1 1 21 21 GLY H H 1 8.42 . . 1 . . . . . . . . . 5075 1 105 . 1 1 21 21 GLY HA2 H 1 3.95 . . 1 . . . . . . . . . 5075 1 106 . 1 1 21 21 GLY HA3 H 1 3.95 . . 1 . . . . . . . . . 5075 1 107 . 1 1 21 21 GLY C C 13 174.2 . . 1 . . . . . . . . . 5075 1 108 . 1 1 21 21 GLY CA C 13 45.2 . . 1 . . . . . . . . . 5075 1 109 . 1 1 21 21 GLY N N 15 108.9 . . 1 . . . . . . . . . 5075 1 110 . 1 1 22 22 VAL H H 1 7.98 . . 1 . . . . . . . . . 5075 1 111 . 1 1 22 22 VAL HA H 1 4.10 . . 1 . . . . . . . . . 5075 1 112 . 1 1 22 22 VAL HB H 1 2.10 . . 1 . . . . . . . . . 5075 1 113 . 1 1 22 22 VAL HG11 H 1 0.93 . . 1 . . . . . . . . . 5075 1 114 . 1 1 22 22 VAL HG12 H 1 0.93 . . 1 . . . . . . . . . 5075 1 115 . 1 1 22 22 VAL HG13 H 1 0.93 . . 1 . . . . . . . . . 5075 1 116 . 1 1 22 22 VAL HG21 H 1 0.93 . . 1 . . . . . . . . . 5075 1 117 . 1 1 22 22 VAL HG22 H 1 0.93 . . 1 . . . . . . . . . 5075 1 118 . 1 1 22 22 VAL HG23 H 1 0.93 . . 1 . . . . . . . . . 5075 1 119 . 1 1 22 22 VAL C C 13 176.1 . . 1 . . . . . . . . . 5075 1 120 . 1 1 22 22 VAL CA C 13 62.5 . . 1 . . . . . . . . . 5075 1 121 . 1 1 22 22 VAL CB C 13 32.5 . . 1 . . . . . . . . . 5075 1 122 . 1 1 22 22 VAL N N 15 119.4 . . 1 . . . . . . . . . 5075 1 123 . 1 1 23 23 GLN H H 1 8.43 . . 1 . . . . . . . . . 5075 1 124 . 1 1 23 23 GLN HA H 1 4.35 . . 1 . . . . . . . . . 5075 1 125 . 1 1 23 23 GLN HB2 H 1 2.08 . . 2 . . . . . . . . . 5075 1 126 . 1 1 23 23 GLN HB3 H 1 1.91 . . 2 . . . . . . . . . 5075 1 127 . 1 1 23 23 GLN HG2 H 1 2.32 . . 1 . . . . . . . . . 5075 1 128 . 1 1 23 23 GLN HG3 H 1 2.32 . . 1 . . . . . . . . . 5075 1 129 . 1 1 23 23 GLN C C 13 175.4 . . 1 . . . . . . . . . 5075 1 130 . 1 1 23 23 GLN CA C 13 55.8 . . 1 . . . . . . . . . 5075 1 131 . 1 1 23 23 GLN CB C 13 30.9 . . 1 . . . . . . . . . 5075 1 132 . 1 1 23 23 GLN N N 15 123.5 . . 1 . . . . . . . . . 5075 1 133 . 1 1 24 24 ASP H H 1 8.21 . . 1 . . . . . . . . . 5075 1 134 . 1 1 24 24 ASP HA H 1 4.81 . . 1 . . . . . . . . . 5075 1 135 . 1 1 24 24 ASP HB2 H 1 2.64 . . 1 . . . . . . . . . 5075 1 136 . 1 1 24 24 ASP HB3 H 1 2.64 . . 1 . . . . . . . . . 5075 1 137 . 1 1 24 24 ASP C C 13 173.9 . . 1 . . . . . . . . . 5075 1 138 . 1 1 24 24 ASP CA C 13 53.8 . . 1 . . . . . . . . . 5075 1 139 . 1 1 24 24 ASP CB C 13 41.2 . . 1 . . . . . . . . . 5075 1 140 . 1 1 24 24 ASP N N 15 122.3 . . 1 . . . . . . . . . 5075 1 141 . 1 1 25 25 CYS H H 1 8.13 . . 1 . . . . . . . . . 5075 1 142 . 1 1 25 25 CYS HA H 1 5.06 . . 1 . . . . . . . . . 5075 1 143 . 1 1 25 25 CYS HB2 H 1 2.98 . . 2 . . . . . . . . . 5075 1 144 . 1 1 25 25 CYS HB3 H 1 2.87 . . 2 . . . . . . . . . 5075 1 145 . 1 1 25 25 CYS C C 13 171.5 . . 1 . . . . . . . . . 5075 1 146 . 1 1 25 25 CYS CA C 13 54.1 . . 1 . . . . . . . . . 5075 1 147 . 1 1 25 25 CYS CB C 13 43.8 . . 1 . . . . . . . . . 5075 1 148 . 1 1 25 25 CYS N N 15 116.0 . . 1 . . . . . . . . . 5075 1 149 . 1 1 26 26 TYR H H 1 7.87 . . 1 . . . . . . . . . 5075 1 150 . 1 1 26 26 TYR HA H 1 5.27 . . 1 . . . . . . . . . 5075 1 151 . 1 1 26 26 TYR HB2 H 1 3.13 . . 2 . . . . . . . . . 5075 1 152 . 1 1 26 26 TYR HB3 H 1 2.36 . . 2 . . . . . . . . . 5075 1 153 . 1 1 26 26 TYR HD1 H 1 6.44 . . 1 . . . . . . . . . 5075 1 154 . 1 1 26 26 TYR HD2 H 1 6.44 . . 1 . . . . . . . . . 5075 1 155 . 1 1 26 26 TYR HE1 H 1 6.74 . . 1 . . . . . . . . . 5075 1 156 . 1 1 26 26 TYR HE2 H 1 6.74 . . 1 . . . . . . . . . 5075 1 157 . 1 1 26 26 TYR C C 13 172.9 . . 1 . . . . . . . . . 5075 1 158 . 1 1 26 26 TYR CA C 13 54.2 . . 1 . . . . . . . . . 5075 1 159 . 1 1 26 26 TYR CB C 13 41.8 . . 1 . . . . . . . . . 5075 1 160 . 1 1 26 26 TYR CD1 C 13 134.2 . . 1 . . . . . . . . . 5075 1 161 . 1 1 26 26 TYR CD2 C 13 134.2 . . 1 . . . . . . . . . 5075 1 162 . 1 1 26 26 TYR CE1 C 13 117.8 . . 1 . . . . . . . . . 5075 1 163 . 1 1 26 26 TYR CE2 C 13 117.8 . . 1 . . . . . . . . . 5075 1 164 . 1 1 26 26 TYR N N 15 115.3 . . 1 . . . . . . . . . 5075 1 165 . 1 1 27 27 HIS H H 1 9.69 . . 1 . . . . . . . . . 5075 1 166 . 1 1 27 27 HIS HA H 1 4.82 . . 1 . . . . . . . . . 5075 1 167 . 1 1 27 27 HIS HB2 H 1 3.10 . . 2 . . . . . . . . . 5075 1 168 . 1 1 27 27 HIS HB3 H 1 2.94 . . 2 . . . . . . . . . 5075 1 169 . 1 1 27 27 HIS HD2 H 1 7.13 . . 1 . . . . . . . . . 5075 1 170 . 1 1 27 27 HIS C C 13 178.0 . . 1 . . . . . . . . . 5075 1 171 . 1 1 27 27 HIS CA C 13 55.5 . . 1 . . . . . . . . . 5075 1 172 . 1 1 27 27 HIS CB C 13 32.0 . . 1 . . . . . . . . . 5075 1 173 . 1 1 27 27 HIS CD2 C 13 119.2 . . 1 . . . . . . . . . 5075 1 174 . 1 1 27 27 HIS N N 15 122.8 . . 1 . . . . . . . . . 5075 1 175 . 1 1 28 28 GLY H H 1 9.42 . . 1 . . . . . . . . . 5075 1 176 . 1 1 28 28 GLY HA2 H 1 4.13 . . 2 . . . . . . . . . 5075 1 177 . 1 1 28 28 GLY HA3 H 1 3.82 . . 2 . . . . . . . . . 5075 1 178 . 1 1 28 28 GLY C C 13 174.4 . . 1 . . . . . . . . . 5075 1 179 . 1 1 28 28 GLY CA C 13 47.7 . . 1 . . . . . . . . . 5075 1 180 . 1 1 28 28 GLY N N 15 116.4 . . 1 . . . . . . . . . 5075 1 181 . 1 1 29 29 ASP H H 1 8.30 . . 1 . . . . . . . . . 5075 1 182 . 1 1 29 29 ASP HA H 1 4.76 . . 1 . . . . . . . . . 5075 1 183 . 1 1 29 29 ASP HB2 H 1 3.23 . . 2 . . . . . . . . . 5075 1 184 . 1 1 29 29 ASP HB3 H 1 2.60 . . 2 . . . . . . . . . 5075 1 185 . 1 1 29 29 ASP C C 13 178.4 . . 1 . . . . . . . . . 5075 1 186 . 1 1 29 29 ASP CA C 13 53.2 . . 1 . . . . . . . . . 5075 1 187 . 1 1 29 29 ASP CB C 13 40.2 . . 1 . . . . . . . . . 5075 1 188 . 1 1 29 29 ASP N N 15 124.9 . . 1 . . . . . . . . . 5075 1 189 . 1 1 30 30 GLY H H 1 9.25 . . 1 . . . . . . . . . 5075 1 190 . 1 1 30 30 GLY HA2 H 1 4.00 . . 2 . . . . . . . . . 5075 1 191 . 1 1 30 30 GLY HA3 H 1 3.68 . . 2 . . . . . . . . . 5075 1 192 . 1 1 30 30 GLY C C 13 176.7 . . 1 . . . . . . . . . 5075 1 193 . 1 1 30 30 GLY CA C 13 47.0 . . 1 . . . . . . . . . 5075 1 194 . 1 1 30 30 GLY N N 15 106.0 . . 1 . . . . . . . . . 5075 1 195 . 1 1 31 31 GLN H H 1 8.94 . . 1 . . . . . . . . . 5075 1 196 . 1 1 31 31 GLN HA H 1 4.35 . . 1 . . . . . . . . . 5075 1 197 . 1 1 31 31 GLN HB2 H 1 2.31 . . 2 . . . . . . . . . 5075 1 198 . 1 1 31 31 GLN HB3 H 1 2.24 . . 2 . . . . . . . . . 5075 1 199 . 1 1 31 31 GLN HG2 H 1 2.71 . . 2 . . . . . . . . . 5075 1 200 . 1 1 31 31 GLN HG3 H 1 2.57 . . 2 . . . . . . . . . 5075 1 201 . 1 1 31 31 GLN HE21 H 1 8.86 . . 2 . . . . . . . . . 5075 1 202 . 1 1 31 31 GLN HE22 H 1 6.97 . . 2 . . . . . . . . . 5075 1 203 . 1 1 31 31 GLN CA C 13 61.0 . . 1 . . . . . . . . . 5075 1 204 . 1 1 31 31 GLN CB C 13 29.5 . . 1 . . . . . . . . . 5075 1 205 . 1 1 31 31 GLN CG C 13 29.2 . . 1 . . . . . . . . . 5075 1 206 . 1 1 31 31 GLN N N 15 124.4 . . 1 . . . . . . . . . 5075 1 207 . 1 1 31 31 GLN NE2 N 15 115.5 . . 1 . . . . . . . . . 5075 1 208 . 1 1 32 32 SER C C 13 174.5 . . 1 . . . . . . . . . 5075 1 209 . 1 1 32 32 SER CA C 13 58.0 . . 1 . . . . . . . . . 5075 1 210 . 1 1 32 32 SER CB C 13 64.0 . . 1 . . . . . . . . . 5075 1 211 . 1 1 33 33 TYR H H 1 7.68 . . 1 . . . . . . . . . 5075 1 212 . 1 1 33 33 TYR HA H 1 4.42 . . 1 . . . . . . . . . 5075 1 213 . 1 1 33 33 TYR HB2 H 1 3.27 . . 2 . . . . . . . . . 5075 1 214 . 1 1 33 33 TYR HB3 H 1 3.11 . . 2 . . . . . . . . . 5075 1 215 . 1 1 33 33 TYR HD1 H 1 7.43 . . 1 . . . . . . . . . 5075 1 216 . 1 1 33 33 TYR HD2 H 1 7.43 . . 1 . . . . . . . . . 5075 1 217 . 1 1 33 33 TYR HE1 H 1 7.20 . . 1 . . . . . . . . . 5075 1 218 . 1 1 33 33 TYR HE2 H 1 7.20 . . 1 . . . . . . . . . 5075 1 219 . 1 1 33 33 TYR CA C 13 60.7 . . 1 . . . . . . . . . 5075 1 220 . 1 1 33 33 TYR CB C 13 38.9 . . 1 . . . . . . . . . 5075 1 221 . 1 1 33 33 TYR CD1 C 13 133.5 . . 1 . . . . . . . . . 5075 1 222 . 1 1 33 33 TYR CD2 C 13 133.5 . . 1 . . . . . . . . . 5075 1 223 . 1 1 33 33 TYR CE1 C 13 118.5 . . 1 . . . . . . . . . 5075 1 224 . 1 1 33 33 TYR CE2 C 13 118.5 . . 1 . . . . . . . . . 5075 1 225 . 1 1 33 33 TYR N N 15 124.0 . . 1 . . . . . . . . . 5075 1 226 . 1 1 35 35 GLY HA2 H 1 4.21 . . 2 . . . . . . . . . 5075 1 227 . 1 1 35 35 GLY HA3 H 1 3.76 . . 2 . . . . . . . . . 5075 1 228 . 1 1 35 35 GLY C C 13 173.9 . . 1 . . . . . . . . . 5075 1 229 . 1 1 35 35 GLY CA C 13 45.4 . . 1 . . . . . . . . . 5075 1 230 . 1 1 36 36 SER H H 1 8.64 . . 1 . . . . . . . . . 5075 1 231 . 1 1 36 36 SER HA H 1 3.33 . . 1 . . . . . . . . . 5075 1 232 . 1 1 36 36 SER HB2 H 1 3.62 . . 2 . . . . . . . . . 5075 1 233 . 1 1 36 36 SER HB3 H 1 3.27 . . 2 . . . . . . . . . 5075 1 234 . 1 1 36 36 SER C C 13 173.0 . . 1 . . . . . . . . . 5075 1 235 . 1 1 36 36 SER CA C 13 56.4 . . 1 . . . . . . . . . 5075 1 236 . 1 1 36 36 SER CB C 13 63.0 . . 1 . . . . . . . . . 5075 1 237 . 1 1 36 36 SER N N 15 112.5 . . 1 . . . . . . . . . 5075 1 238 . 1 1 37 37 PHE H H 1 7.75 . . 1 . . . . . . . . . 5075 1 239 . 1 1 37 37 PHE HA H 1 4.23 . . 1 . . . . . . . . . 5075 1 240 . 1 1 37 37 PHE HB2 H 1 3.46 . . 2 . . . . . . . . . 5075 1 241 . 1 1 37 37 PHE HB3 H 1 2.94 . . 2 . . . . . . . . . 5075 1 242 . 1 1 37 37 PHE HD1 H 1 7.47 . . 1 . . . . . . . . . 5075 1 243 . 1 1 37 37 PHE HD2 H 1 7.47 . . 1 . . . . . . . . . 5075 1 244 . 1 1 37 37 PHE HE1 H 1 7.51 . . 1 . . . . . . . . . 5075 1 245 . 1 1 37 37 PHE HE2 H 1 7.51 . . 1 . . . . . . . . . 5075 1 246 . 1 1 37 37 PHE HZ H 1 7.43 . . 1 . . . . . . . . . 5075 1 247 . 1 1 37 37 PHE C C 13 176.8 . . 1 . . . . . . . . . 5075 1 248 . 1 1 37 37 PHE CA C 13 61.2 . . 1 . . . . . . . . . 5075 1 249 . 1 1 37 37 PHE CB C 13 41.2 . . 1 . . . . . . . . . 5075 1 250 . 1 1 37 37 PHE CD1 C 13 131.4 . . 1 . . . . . . . . . 5075 1 251 . 1 1 37 37 PHE CD2 C 13 131.4 . . 1 . . . . . . . . . 5075 1 252 . 1 1 37 37 PHE CE1 C 13 129.1 . . 1 . . . . . . . . . 5075 1 253 . 1 1 37 37 PHE CE2 C 13 129.1 . . 1 . . . . . . . . . 5075 1 254 . 1 1 37 37 PHE CZ C 13 130.8 . . 1 . . . . . . . . . 5075 1 255 . 1 1 37 37 PHE N N 15 125.3 . . 1 . . . . . . . . . 5075 1 256 . 1 1 38 38 SER H H 1 8.33 . . 1 . . . . . . . . . 5075 1 257 . 1 1 38 38 SER HA H 1 5.16 . . 1 . . . . . . . . . 5075 1 258 . 1 1 38 38 SER HB2 H 1 4.23 . . 1 . . . . . . . . . 5075 1 259 . 1 1 38 38 SER HB3 H 1 4.23 . . 1 . . . . . . . . . 5075 1 260 . 1 1 38 38 SER C C 13 172.8 . . 1 . . . . . . . . . 5075 1 261 . 1 1 38 38 SER CA C 13 58.9 . . 1 . . . . . . . . . 5075 1 262 . 1 1 38 38 SER CB C 13 65.0 . . 1 . . . . . . . . . 5075 1 263 . 1 1 38 38 SER N N 15 118.5 . . 1 . . . . . . . . . 5075 1 264 . 1 1 39 39 THR H H 1 6.55 . . 1 . . . . . . . . . 5075 1 265 . 1 1 39 39 THR HA H 1 5.17 . . 1 . . . . . . . . . 5075 1 266 . 1 1 39 39 THR HB H 1 3.75 . . 1 . . . . . . . . . 5075 1 267 . 1 1 39 39 THR HG21 H 1 1.32 . . 1 . . . . . . . . . 5075 1 268 . 1 1 39 39 THR HG22 H 1 1.32 . . 1 . . . . . . . . . 5075 1 269 . 1 1 39 39 THR HG23 H 1 1.32 . . 1 . . . . . . . . . 5075 1 270 . 1 1 39 39 THR C C 13 174.8 . . 1 . . . . . . . . . 5075 1 271 . 1 1 39 39 THR CA C 13 61.1 . . 1 . . . . . . . . . 5075 1 272 . 1 1 39 39 THR CB C 13 71.7 . . 1 . . . . . . . . . 5075 1 273 . 1 1 39 39 THR CG2 C 13 21.8 . . 1 . . . . . . . . . 5075 1 274 . 1 1 39 39 THR N N 15 114.0 . . 1 . . . . . . . . . 5075 1 275 . 1 1 40 40 THR H H 1 9.31 . . 1 . . . . . . . . . 5075 1 276 . 1 1 40 40 THR HA H 1 4.81 . . 1 . . . . . . . . . 5075 1 277 . 1 1 40 40 THR HB H 1 4.50 . . 1 . . . . . . . . . 5075 1 278 . 1 1 40 40 THR HG1 H 1 6.58 . . 1 . . . . . . . . . 5075 1 279 . 1 1 40 40 THR HG21 H 1 1.09 . . 1 . . . . . . . . . 5075 1 280 . 1 1 40 40 THR HG22 H 1 1.09 . . 1 . . . . . . . . . 5075 1 281 . 1 1 40 40 THR HG23 H 1 1.09 . . 1 . . . . . . . . . 5075 1 282 . 1 1 40 40 THR C C 13 178.1 . . 1 . . . . . . . . . 5075 1 283 . 1 1 40 40 THR CA C 13 61.3 . . 1 . . . . . . . . . 5075 1 284 . 1 1 40 40 THR CB C 13 72.2 . . 1 . . . . . . . . . 5075 1 285 . 1 1 40 40 THR CG2 C 13 21.6 . . 1 . . . . . . . . . 5075 1 286 . 1 1 40 40 THR N N 15 116.4 . . 1 . . . . . . . . . 5075 1 287 . 1 1 41 41 VAL H H 1 8.38 . . 1 . . . . . . . . . 5075 1 288 . 1 1 41 41 VAL HA H 1 3.91 . . 1 . . . . . . . . . 5075 1 289 . 1 1 41 41 VAL HB H 1 2.27 . . 1 . . . . . . . . . 5075 1 290 . 1 1 41 41 VAL HG11 H 1 1.11 . . 2 . . . . . . . . . 5075 1 291 . 1 1 41 41 VAL HG12 H 1 1.11 . . 2 . . . . . . . . . 5075 1 292 . 1 1 41 41 VAL HG13 H 1 1.11 . . 2 . . . . . . . . . 5075 1 293 . 1 1 41 41 VAL HG21 H 1 0.98 . . 2 . . . . . . . . . 5075 1 294 . 1 1 41 41 VAL HG22 H 1 0.98 . . 2 . . . . . . . . . 5075 1 295 . 1 1 41 41 VAL HG23 H 1 0.98 . . 2 . . . . . . . . . 5075 1 296 . 1 1 41 41 VAL C C 13 176.5 . . 1 . . . . . . . . . 5075 1 297 . 1 1 41 41 VAL CA C 13 61.2 . . 1 . . . . . . . . . 5075 1 298 . 1 1 41 41 VAL CB C 13 31.9 . . 1 . . . . . . . . . 5075 1 299 . 1 1 41 41 VAL CG1 C 13 22.2 . . 2 . . . . . . . . . 5075 1 300 . 1 1 41 41 VAL CG2 C 13 19.2 . . 2 . . . . . . . . . 5075 1 301 . 1 1 41 41 VAL N N 15 113.9 . . 1 . . . . . . . . . 5075 1 302 . 1 1 42 42 THR H H 1 7.55 . . 1 . . . . . . . . . 5075 1 303 . 1 1 42 42 THR HA H 1 4.55 . . 1 . . . . . . . . . 5075 1 304 . 1 1 42 42 THR HB H 1 4.45 . . 1 . . . . . . . . . 5075 1 305 . 1 1 42 42 THR HG21 H 1 1.21 . . 1 . . . . . . . . . 5075 1 306 . 1 1 42 42 THR HG22 H 1 1.21 . . 1 . . . . . . . . . 5075 1 307 . 1 1 42 42 THR HG23 H 1 1.21 . . 1 . . . . . . . . . 5075 1 308 . 1 1 42 42 THR C C 13 175.5 . . 1 . . . . . . . . . 5075 1 309 . 1 1 42 42 THR CA C 13 61.7 . . 1 . . . . . . . . . 5075 1 310 . 1 1 42 42 THR CB C 13 68.7 . . 1 . . . . . . . . . 5075 1 311 . 1 1 42 42 THR N N 15 108.8 . . 1 . . . . . . . . . 5075 1 312 . 1 1 43 43 GLY H H 1 8.09 . . 1 . . . . . . . . . 5075 1 313 . 1 1 43 43 GLY HA2 H 1 4.23 . . 2 . . . . . . . . . 5075 1 314 . 1 1 43 43 GLY HA3 H 1 3.56 . . 2 . . . . . . . . . 5075 1 315 . 1 1 43 43 GLY C C 13 175.0 . . 1 . . . . . . . . . 5075 1 316 . 1 1 43 43 GLY CA C 13 45.3 . . 1 . . . . . . . . . 5075 1 317 . 1 1 43 43 GLY N N 15 110.3 . . 1 . . . . . . . . . 5075 1 318 . 1 1 44 44 ARG H H 1 7.64 . . 1 . . . . . . . . . 5075 1 319 . 1 1 44 44 ARG HA H 1 4.33 . . 1 . . . . . . . . . 5075 1 320 . 1 1 44 44 ARG HB2 H 1 1.83 . . 2 . . . . . . . . . 5075 1 321 . 1 1 44 44 ARG HB3 H 1 1.66 . . 2 . . . . . . . . . 5075 1 322 . 1 1 44 44 ARG HG2 H 1 1.79 . . 2 . . . . . . . . . 5075 1 323 . 1 1 44 44 ARG HG3 H 1 1.49 . . 2 . . . . . . . . . 5075 1 324 . 1 1 44 44 ARG HD2 H 1 3.45 . . 2 . . . . . . . . . 5075 1 325 . 1 1 44 44 ARG HD3 H 1 2.91 . . 2 . . . . . . . . . 5075 1 326 . 1 1 44 44 ARG HE H 1 8.29 . . 1 . . . . . . . . . 5075 1 327 . 1 1 44 44 ARG C C 13 175.2 . . 1 . . . . . . . . . 5075 1 328 . 1 1 44 44 ARG CA C 13 56.2 . . 1 . . . . . . . . . 5075 1 329 . 1 1 44 44 ARG CB C 13 30.7 . . 1 . . . . . . . . . 5075 1 330 . 1 1 44 44 ARG CD C 13 42.6 . . 1 . . . . . . . . . 5075 1 331 . 1 1 44 44 ARG N N 15 120.4 . . 1 . . . . . . . . . 5075 1 332 . 1 1 44 44 ARG NE N 15 87.6 . . 1 . . . . . . . . . 5075 1 333 . 1 1 45 45 THR H H 1 8.85 . . 1 . . . . . . . . . 5075 1 334 . 1 1 45 45 THR HA H 1 4.55 . . 1 . . . . . . . . . 5075 1 335 . 1 1 45 45 THR HB H 1 3.84 . . 1 . . . . . . . . . 5075 1 336 . 1 1 45 45 THR HG21 H 1 1.35 . . 1 . . . . . . . . . 5075 1 337 . 1 1 45 45 THR HG22 H 1 1.35 . . 1 . . . . . . . . . 5075 1 338 . 1 1 45 45 THR HG23 H 1 1.35 . . 1 . . . . . . . . . 5075 1 339 . 1 1 45 45 THR C C 13 174.1 . . 1 . . . . . . . . . 5075 1 340 . 1 1 45 45 THR CA C 13 63.0 . . 1 . . . . . . . . . 5075 1 341 . 1 1 45 45 THR CB C 13 70.2 . . 1 . . . . . . . . . 5075 1 342 . 1 1 45 45 THR CG2 C 13 21.9 . . 1 . . . . . . . . . 5075 1 343 . 1 1 45 45 THR N N 15 118.7 . . 1 . . . . . . . . . 5075 1 344 . 1 1 46 46 CYS H H 1 7.89 . . 1 . . . . . . . . . 5075 1 345 . 1 1 46 46 CYS HA H 1 4.54 . . 1 . . . . . . . . . 5075 1 346 . 1 1 46 46 CYS HB2 H 1 2.77 . . 1 . . . . . . . . . 5075 1 347 . 1 1 46 46 CYS HB3 H 1 2.77 . . 1 . . . . . . . . . 5075 1 348 . 1 1 46 46 CYS C C 13 176.1 . . 1 . . . . . . . . . 5075 1 349 . 1 1 46 46 CYS CA C 13 54.6 . . 1 . . . . . . . . . 5075 1 350 . 1 1 46 46 CYS CB C 13 37.6 . . 1 . . . . . . . . . 5075 1 351 . 1 1 46 46 CYS N N 15 124.7 . . 1 . . . . . . . . . 5075 1 352 . 1 1 47 47 GLN H H 1 9.57 . . 1 . . . . . . . . . 5075 1 353 . 1 1 47 47 GLN HA H 1 4.15 . . 1 . . . . . . . . . 5075 1 354 . 1 1 47 47 GLN HB2 H 1 1.76 . . 2 . . . . . . . . . 5075 1 355 . 1 1 47 47 GLN HB3 H 1 1.17 . . 2 . . . . . . . . . 5075 1 356 . 1 1 47 47 GLN HG2 H 1 2.47 . . 2 . . . . . . . . . 5075 1 357 . 1 1 47 47 GLN HG3 H 1 2.32 . . 2 . . . . . . . . . 5075 1 358 . 1 1 47 47 GLN HE21 H 1 8.56 . . 2 . . . . . . . . . 5075 1 359 . 1 1 47 47 GLN HE22 H 1 6.17 . . 2 . . . . . . . . . 5075 1 360 . 1 1 47 47 GLN C C 13 176.0 . . 1 . . . . . . . . . 5075 1 361 . 1 1 47 47 GLN CA C 13 55.1 . . 1 . . . . . . . . . 5075 1 362 . 1 1 47 47 GLN CB C 13 30.3 . . 1 . . . . . . . . . 5075 1 363 . 1 1 47 47 GLN N N 15 127.8 . . 1 . . . . . . . . . 5075 1 364 . 1 1 47 47 GLN NE2 N 15 110.6 . . 1 . . . . . . . . . 5075 1 365 . 1 1 48 48 SER H H 1 8.61 . . 1 . . . . . . . . . 5075 1 366 . 1 1 48 48 SER HA H 1 4.21 . . 1 . . . . . . . . . 5075 1 367 . 1 1 48 48 SER HB2 H 1 3.78 . . 1 . . . . . . . . . 5075 1 368 . 1 1 48 48 SER HB3 H 1 3.78 . . 1 . . . . . . . . . 5075 1 369 . 1 1 48 48 SER C C 13 175.9 . . 1 . . . . . . . . . 5075 1 370 . 1 1 48 48 SER CA C 13 59.3 . . 1 . . . . . . . . . 5075 1 371 . 1 1 48 48 SER CB C 13 63.1 . . 1 . . . . . . . . . 5075 1 372 . 1 1 48 48 SER N N 15 121.3 . . 1 . . . . . . . . . 5075 1 373 . 1 1 49 49 TRP H H 1 7.74 . . 1 . . . . . . . . . 5075 1 374 . 1 1 49 49 TRP HA H 1 4.24 . . 1 . . . . . . . . . 5075 1 375 . 1 1 49 49 TRP HB2 H 1 3.83 . . 2 . . . . . . . . . 5075 1 376 . 1 1 49 49 TRP HB3 H 1 2.85 . . 2 . . . . . . . . . 5075 1 377 . 1 1 49 49 TRP HD1 H 1 7.11 . . 1 . . . . . . . . . 5075 1 378 . 1 1 49 49 TRP HE1 H 1 11.51 . . 1 . . . . . . . . . 5075 1 379 . 1 1 49 49 TRP HE3 H 1 7.76 . . 1 . . . . . . . . . 5075 1 380 . 1 1 49 49 TRP HZ2 H 1 7.42 . . 1 . . . . . . . . . 5075 1 381 . 1 1 49 49 TRP HZ3 H 1 7.77 . . 1 . . . . . . . . . 5075 1 382 . 1 1 49 49 TRP HH2 H 1 4.92 . . 1 . . . . . . . . . 5075 1 383 . 1 1 49 49 TRP C C 13 176.7 . . 1 . . . . . . . . . 5075 1 384 . 1 1 49 49 TRP CA C 13 59.4 . . 1 . . . . . . . . . 5075 1 385 . 1 1 49 49 TRP CB C 13 29.3 . . 1 . . . . . . . . . 5075 1 386 . 1 1 49 49 TRP CD1 C 13 127.1 . . 1 . . . . . . . . . 5075 1 387 . 1 1 49 49 TRP CZ2 C 13 114.8 . . 1 . . . . . . . . . 5075 1 388 . 1 1 49 49 TRP N N 15 126.4 . . 1 . . . . . . . . . 5075 1 389 . 1 1 49 49 TRP NE1 N 15 131.2 . . 1 . . . . . . . . . 5075 1 390 . 1 1 50 50 SER H H 1 8.49 . . 1 . . . . . . . . . 5075 1 391 . 1 1 50 50 SER HA H 1 4.41 . . 1 . . . . . . . . . 5075 1 392 . 1 1 50 50 SER HB2 H 1 4.10 . . 2 . . . . . . . . . 5075 1 393 . 1 1 50 50 SER HB3 H 1 3.76 . . 2 . . . . . . . . . 5075 1 394 . 1 1 50 50 SER C C 13 175.0 . . 1 . . . . . . . . . 5075 1 395 . 1 1 50 50 SER CA C 13 58.4 . . 1 . . . . . . . . . 5075 1 396 . 1 1 50 50 SER CB C 13 63.5 . . 1 . . . . . . . . . 5075 1 397 . 1 1 50 50 SER N N 15 107.4 . . 1 . . . . . . . . . 5075 1 398 . 1 1 51 51 SER H H 1 7.75 . . 1 . . . . . . . . . 5075 1 399 . 1 1 51 51 SER HA H 1 4.59 . . 1 . . . . . . . . . 5075 1 400 . 1 1 51 51 SER HB2 H 1 4.12 . . 2 . . . . . . . . . 5075 1 401 . 1 1 51 51 SER HB3 H 1 3.89 . . 2 . . . . . . . . . 5075 1 402 . 1 1 51 51 SER C C 13 173.9 . . 1 . . . . . . . . . 5075 1 403 . 1 1 51 51 SER CA C 13 56.7 . . 1 . . . . . . . . . 5075 1 404 . 1 1 51 51 SER CB C 13 65.0 . . 1 . . . . . . . . . 5075 1 405 . 1 1 51 51 SER N N 15 116.9 . . 1 . . . . . . . . . 5075 1 406 . 1 1 52 52 MET H H 1 8.28 . . 1 . . . . . . . . . 5075 1 407 . 1 1 52 52 MET HA H 1 5.05 . . 1 . . . . . . . . . 5075 1 408 . 1 1 52 52 MET HB2 H 1 1.95 . . 2 . . . . . . . . . 5075 1 409 . 1 1 52 52 MET HB3 H 1 1.80 . . 2 . . . . . . . . . 5075 1 410 . 1 1 52 52 MET HG2 H 1 2.82 . . 2 . . . . . . . . . 5075 1 411 . 1 1 52 52 MET HG3 H 1 2.27 . . 2 . . . . . . . . . 5075 1 412 . 1 1 52 52 MET HE1 H 1 1.17 . . 1 . . . . . . . . . 5075 1 413 . 1 1 52 52 MET HE2 H 1 1.17 . . 1 . . . . . . . . . 5075 1 414 . 1 1 52 52 MET HE3 H 1 1.17 . . 1 . . . . . . . . . 5075 1 415 . 1 1 52 52 MET C C 13 174.6 . . 1 . . . . . . . . . 5075 1 416 . 1 1 52 52 MET CA C 13 52.6 . . 1 . . . . . . . . . 5075 1 417 . 1 1 52 52 MET CB C 13 34.0 . . 1 . . . . . . . . . 5075 1 418 . 1 1 52 52 MET N N 15 121.8 . . 1 . . . . . . . . . 5075 1 419 . 1 1 53 53 THR H H 1 7.84 . . 1 . . . . . . . . . 5075 1 420 . 1 1 53 53 THR HA H 1 4.45 . . 1 . . . . . . . . . 5075 1 421 . 1 1 53 53 THR HB H 1 3.83 . . 1 . . . . . . . . . 5075 1 422 . 1 1 53 53 THR HG21 H 1 1.08 . . 1 . . . . . . . . . 5075 1 423 . 1 1 53 53 THR HG22 H 1 1.08 . . 1 . . . . . . . . . 5075 1 424 . 1 1 53 53 THR HG23 H 1 1.08 . . 1 . . . . . . . . . 5075 1 425 . 1 1 53 53 THR CA C 13 57.8 . . 1 . . . . . . . . . 5075 1 426 . 1 1 53 53 THR CB C 13 71.5 . . 1 . . . . . . . . . 5075 1 427 . 1 1 53 53 THR CG2 C 13 20.6 . . 1 . . . . . . . . . 5075 1 428 . 1 1 53 53 THR N N 15 112.7 . . 1 . . . . . . . . . 5075 1 429 . 1 1 54 54 PRO HA H 1 4.50 . . 1 . . . . . . . . . 5075 1 430 . 1 1 54 54 PRO HB2 H 1 2.17 . . 2 . . . . . . . . . 5075 1 431 . 1 1 54 54 PRO HB3 H 1 1.06 . . 2 . . . . . . . . . 5075 1 432 . 1 1 54 54 PRO HG2 H 1 1.63 . . 2 . . . . . . . . . 5075 1 433 . 1 1 54 54 PRO HG3 H 1 1.54 . . 2 . . . . . . . . . 5075 1 434 . 1 1 54 54 PRO HD2 H 1 4.19 . . 2 . . . . . . . . . 5075 1 435 . 1 1 54 54 PRO HD3 H 1 3.38 . . 2 . . . . . . . . . 5075 1 436 . 1 1 54 54 PRO C C 13 176.9 . . 1 . . . . . . . . . 5075 1 437 . 1 1 54 54 PRO CA C 13 64.2 . . 1 . . . . . . . . . 5075 1 438 . 1 1 54 54 PRO CB C 13 33.9 . . 1 . . . . . . . . . 5075 1 439 . 1 1 54 54 PRO CG C 13 24.4 . . 1 . . . . . . . . . 5075 1 440 . 1 1 54 54 PRO CD C 13 50.6 . . 1 . . . . . . . . . 5075 1 441 . 1 1 55 55 HIS H H 1 8.74 . . 1 . . . . . . . . . 5075 1 442 . 1 1 55 55 HIS HA H 1 4.89 . . 1 . . . . . . . . . 5075 1 443 . 1 1 55 55 HIS HB2 H 1 3.01 . . 2 . . . . . . . . . 5075 1 444 . 1 1 55 55 HIS HB3 H 1 2.75 . . 2 . . . . . . . . . 5075 1 445 . 1 1 55 55 HIS HE1 H 1 8.35 . . 1 . . . . . . . . . 5075 1 446 . 1 1 55 55 HIS C C 13 173.6 . . 1 . . . . . . . . . 5075 1 447 . 1 1 55 55 HIS CA C 13 55.8 . . 1 . . . . . . . . . 5075 1 448 . 1 1 55 55 HIS CB C 13 31.1 . . 1 . . . . . . . . . 5075 1 449 . 1 1 55 55 HIS N N 15 122.1 . . 1 . . . . . . . . . 5075 1 450 . 1 1 56 56 TRP H H 1 8.95 . . 1 . . . . . . . . . 5075 1 451 . 1 1 56 56 TRP HA H 1 4.36 . . 1 . . . . . . . . . 5075 1 452 . 1 1 56 56 TRP HB2 H 1 3.30 . . 1 . . . . . . . . . 5075 1 453 . 1 1 56 56 TRP HB3 H 1 3.30 . . 1 . . . . . . . . . 5075 1 454 . 1 1 56 56 TRP HD1 H 1 7.22 . . 1 . . . . . . . . . 5075 1 455 . 1 1 56 56 TRP HE1 H 1 10.05 . . 1 . . . . . . . . . 5075 1 456 . 1 1 56 56 TRP HE3 H 1 6.97 . . 1 . . . . . . . . . 5075 1 457 . 1 1 56 56 TRP HZ2 H 1 7.40 . . 1 . . . . . . . . . 5075 1 458 . 1 1 56 56 TRP HZ3 H 1 6.87 . . 1 . . . . . . . . . 5075 1 459 . 1 1 56 56 TRP HH2 H 1 7.06 . . 1 . . . . . . . . . 5075 1 460 . 1 1 56 56 TRP C C 13 176.2 . . 1 . . . . . . . . . 5075 1 461 . 1 1 56 56 TRP CA C 13 58.8 . . 1 . . . . . . . . . 5075 1 462 . 1 1 56 56 TRP CB C 13 29.3 . . 1 . . . . . . . . . 5075 1 463 . 1 1 56 56 TRP CD1 C 13 127.3 . . 1 . . . . . . . . . 5075 1 464 . 1 1 56 56 TRP CZ2 C 13 113.5 . . 1 . . . . . . . . . 5075 1 465 . 1 1 56 56 TRP CZ3 C 13 124.5 . . 1 . . . . . . . . . 5075 1 466 . 1 1 56 56 TRP N N 15 126.7 . . 1 . . . . . . . . . 5075 1 467 . 1 1 56 56 TRP NE1 N 15 129.3 . . 1 . . . . . . . . . 5075 1 468 . 1 1 57 57 HIS H H 1 6.98 . . 1 . . . . . . . . . 5075 1 469 . 1 1 57 57 HIS HA H 1 4.23 . . 1 . . . . . . . . . 5075 1 470 . 1 1 57 57 HIS HB2 H 1 3.08 . . 2 . . . . . . . . . 5075 1 471 . 1 1 57 57 HIS HB3 H 1 2.23 . . 2 . . . . . . . . . 5075 1 472 . 1 1 57 57 HIS C C 13 171.9 . . 1 . . . . . . . . . 5075 1 473 . 1 1 57 57 HIS CA C 13 55.4 . . 1 . . . . . . . . . 5075 1 474 . 1 1 57 57 HIS CB C 13 34.3 . . 1 . . . . . . . . . 5075 1 475 . 1 1 57 57 HIS N N 15 126.6 . . 1 . . . . . . . . . 5075 1 476 . 1 1 58 58 GLN H H 1 8.42 . . 1 . . . . . . . . . 5075 1 477 . 1 1 58 58 GLN HA H 1 4.23 . . 1 . . . . . . . . . 5075 1 478 . 1 1 58 58 GLN HB2 H 1 1.58 . . 2 . . . . . . . . . 5075 1 479 . 1 1 58 58 GLN HB3 H 1 1.90 . . 2 . . . . . . . . . 5075 1 480 . 1 1 58 58 GLN HG2 H 1 1.92 . . 1 . . . . . . . . . 5075 1 481 . 1 1 58 58 GLN HG3 H 1 1.92 . . 1 . . . . . . . . . 5075 1 482 . 1 1 58 58 GLN CA C 13 54.3 . . 1 . . . . . . . . . 5075 1 483 . 1 1 58 58 GLN CB C 13 30.4 . . 1 . . . . . . . . . 5075 1 484 . 1 1 58 58 GLN CG C 13 29.7 . . 1 . . . . . . . . . 5075 1 485 . 1 1 58 58 GLN N N 15 115.3 . . 1 . . . . . . . . . 5075 1 486 . 1 1 60 60 THR HA H 1 5.05 . . 1 . . . . . . . . . 5075 1 487 . 1 1 60 60 THR HB H 1 4.57 . . 1 . . . . . . . . . 5075 1 488 . 1 1 60 60 THR HG21 H 1 1.07 . . 1 . . . . . . . . . 5075 1 489 . 1 1 60 60 THR HG22 H 1 1.07 . . 1 . . . . . . . . . 5075 1 490 . 1 1 60 60 THR HG23 H 1 1.07 . . 1 . . . . . . . . . 5075 1 491 . 1 1 60 60 THR C C 13 177.4 . . 1 . . . . . . . . . 5075 1 492 . 1 1 60 60 THR CA C 13 54.2 . . 1 . . . . . . . . . 5075 1 493 . 1 1 60 60 THR CB C 13 72.3 . . 1 . . . . . . . . . 5075 1 494 . 1 1 60 60 THR CG2 C 13 21.9 . . 1 . . . . . . . . . 5075 1 495 . 1 1 61 61 THR H H 1 8.91 . . 1 . . . . . . . . . 5075 1 496 . 1 1 61 61 THR HA H 1 4.19 . . 1 . . . . . . . . . 5075 1 497 . 1 1 61 61 THR HB H 1 3.81 . . 1 . . . . . . . . . 5075 1 498 . 1 1 61 61 THR HG21 H 1 1.33 . . 1 . . . . . . . . . 5075 1 499 . 1 1 61 61 THR HG22 H 1 1.33 . . 1 . . . . . . . . . 5075 1 500 . 1 1 61 61 THR HG23 H 1 1.33 . . 1 . . . . . . . . . 5075 1 501 . 1 1 61 61 THR C C 13 174.9 . . 1 . . . . . . . . . 5075 1 502 . 1 1 61 61 THR CA C 13 64.9 . . 1 . . . . . . . . . 5075 1 503 . 1 1 61 61 THR CB C 13 68.8 . . 1 . . . . . . . . . 5075 1 504 . 1 1 61 61 THR CG2 C 13 22.3 . . 1 . . . . . . . . . 5075 1 505 . 1 1 61 61 THR N N 15 114.5 . . 1 . . . . . . . . . 5075 1 506 . 1 1 62 62 GLU H H 1 7.75 . . 1 . . . . . . . . . 5075 1 507 . 1 1 62 62 GLU HA H 1 3.82 . . 1 . . . . . . . . . 5075 1 508 . 1 1 62 62 GLU HB2 H 1 1.69 . . 2 . . . . . . . . . 5075 1 509 . 1 1 62 62 GLU HB3 H 1 1.47 . . 2 . . . . . . . . . 5075 1 510 . 1 1 62 62 GLU HG2 H 1 1.93 . . 2 . . . . . . . . . 5075 1 511 . 1 1 62 62 GLU HG3 H 1 1.75 . . 2 . . . . . . . . . 5075 1 512 . 1 1 62 62 GLU C C 13 177.3 . . 1 . . . . . . . . . 5075 1 513 . 1 1 62 62 GLU CA C 13 59.0 . . 1 . . . . . . . . . 5075 1 514 . 1 1 62 62 GLU CB C 13 29.3 . . 1 . . . . . . . . . 5075 1 515 . 1 1 62 62 GLU N N 15 118.6 . . 1 . . . . . . . . . 5075 1 516 . 1 1 63 63 TYR H H 1 6.98 . . 1 . . . . . . . . . 5075 1 517 . 1 1 63 63 TYR HA H 1 4.31 . . 1 . . . . . . . . . 5075 1 518 . 1 1 63 63 TYR HB2 H 1 2.91 . . 1 . . . . . . . . . 5075 1 519 . 1 1 63 63 TYR HB3 H 1 2.91 . . 1 . . . . . . . . . 5075 1 520 . 1 1 63 63 TYR HD1 H 1 7.18 . . 1 . . . . . . . . . 5075 1 521 . 1 1 63 63 TYR HD2 H 1 7.18 . . 1 . . . . . . . . . 5075 1 522 . 1 1 63 63 TYR HE1 H 1 6.77 . . 1 . . . . . . . . . 5075 1 523 . 1 1 63 63 TYR HE2 H 1 6.77 . . 1 . . . . . . . . . 5075 1 524 . 1 1 63 63 TYR C C 13 175.4 . . 1 . . . . . . . . . 5075 1 525 . 1 1 63 63 TYR CA C 13 59.1 . . 1 . . . . . . . . . 5075 1 526 . 1 1 63 63 TYR CB C 13 40.3 . . 1 . . . . . . . . . 5075 1 527 . 1 1 63 63 TYR CD1 C 13 133.8 . . 1 . . . . . . . . . 5075 1 528 . 1 1 63 63 TYR CD2 C 13 133.8 . . 1 . . . . . . . . . 5075 1 529 . 1 1 63 63 TYR CE1 C 13 117.4 . . 1 . . . . . . . . . 5075 1 530 . 1 1 63 63 TYR CE2 C 13 117.4 . . 1 . . . . . . . . . 5075 1 531 . 1 1 63 63 TYR N N 15 116.0 . . 1 . . . . . . . . . 5075 1 532 . 1 1 64 64 TYR H H 1 8.10 . . 1 . . . . . . . . . 5075 1 533 . 1 1 64 64 TYR HA H 1 4.90 . . 1 . . . . . . . . . 5075 1 534 . 1 1 64 64 TYR HB2 H 1 2.78 . . 2 . . . . . . . . . 5075 1 535 . 1 1 64 64 TYR HB3 H 1 2.64 . . 2 . . . . . . . . . 5075 1 536 . 1 1 64 64 TYR HD1 H 1 7.21 . . 1 . . . . . . . . . 5075 1 537 . 1 1 64 64 TYR HD2 H 1 7.21 . . 1 . . . . . . . . . 5075 1 538 . 1 1 64 64 TYR HE1 H 1 6.97 . . 1 . . . . . . . . . 5075 1 539 . 1 1 64 64 TYR HE2 H 1 6.97 . . 1 . . . . . . . . . 5075 1 540 . 1 1 64 64 TYR CA C 13 55.9 . . 1 . . . . . . . . . 5075 1 541 . 1 1 64 64 TYR CB C 13 37.8 . . 1 . . . . . . . . . 5075 1 542 . 1 1 64 64 TYR CD1 C 13 134.8 . . 1 . . . . . . . . . 5075 1 543 . 1 1 64 64 TYR CD2 C 13 134.8 . . 1 . . . . . . . . . 5075 1 544 . 1 1 64 64 TYR CE1 C 13 117.5 . . 1 . . . . . . . . . 5075 1 545 . 1 1 64 64 TYR CE2 C 13 117.5 . . 1 . . . . . . . . . 5075 1 546 . 1 1 64 64 TYR N N 15 116.4 . . 1 . . . . . . . . . 5075 1 547 . 1 1 65 65 PRO HA H 1 4.52 . . 1 . . . . . . . . . 5075 1 548 . 1 1 65 65 PRO HB2 H 1 2.40 . . 2 . . . . . . . . . 5075 1 549 . 1 1 65 65 PRO HB3 H 1 1.93 . . 2 . . . . . . . . . 5075 1 550 . 1 1 65 65 PRO HG2 H 1 1.97 . . 2 . . . . . . . . . 5075 1 551 . 1 1 65 65 PRO HG3 H 1 1.85 . . 2 . . . . . . . . . 5075 1 552 . 1 1 65 65 PRO HD2 H 1 3.55 . . 2 . . . . . . . . . 5075 1 553 . 1 1 65 65 PRO HD3 H 1 3.19 . . 2 . . . . . . . . . 5075 1 554 . 1 1 65 65 PRO C C 13 177.9 . . 1 . . . . . . . . . 5075 1 555 . 1 1 65 65 PRO CA C 13 64.8 . . 1 . . . . . . . . . 5075 1 556 . 1 1 65 65 PRO CB C 13 31.9 . . 1 . . . . . . . . . 5075 1 557 . 1 1 65 65 PRO CG C 13 27.4 . . 1 . . . . . . . . . 5075 1 558 . 1 1 65 65 PRO CD C 13 50.7 . . 1 . . . . . . . . . 5075 1 559 . 1 1 66 66 ASN H H 1 8.81 . . 1 . . . . . . . . . 5075 1 560 . 1 1 66 66 ASN HA H 1 5.08 . . 1 . . . . . . . . . 5075 1 561 . 1 1 66 66 ASN HB2 H 1 3.00 . . 2 . . . . . . . . . 5075 1 562 . 1 1 66 66 ASN HB3 H 1 2.64 . . 2 . . . . . . . . . 5075 1 563 . 1 1 66 66 ASN HD21 H 1 7.59 . . 2 . . . . . . . . . 5075 1 564 . 1 1 66 66 ASN HD22 H 1 6.97 . . 2 . . . . . . . . . 5075 1 565 . 1 1 66 66 ASN C C 13 175.7 . . 1 . . . . . . . . . 5075 1 566 . 1 1 66 66 ASN CA C 13 52.5 . . 1 . . . . . . . . . 5075 1 567 . 1 1 66 66 ASN CB C 13 39.1 . . 1 . . . . . . . . . 5075 1 568 . 1 1 66 66 ASN N N 15 116.3 . . 1 . . . . . . . . . 5075 1 569 . 1 1 66 66 ASN ND2 N 15 113.7 . . 1 . . . . . . . . . 5075 1 570 . 1 1 67 67 GLY H H 1 7.70 . . 1 . . . . . . . . . 5075 1 571 . 1 1 67 67 GLY HA2 H 1 3.79 . . 2 . . . . . . . . . 5075 1 572 . 1 1 67 67 GLY HA3 H 1 3.48 . . 2 . . . . . . . . . 5075 1 573 . 1 1 67 67 GLY C C 13 173.6 . . 1 . . . . . . . . . 5075 1 574 . 1 1 67 67 GLY CA C 13 45.8 . . 1 . . . . . . . . . 5075 1 575 . 1 1 67 67 GLY N N 15 105.0 . . 1 . . . . . . . . . 5075 1 576 . 1 1 68 68 GLY H H 1 8.28 . . 1 . . . . . . . . . 5075 1 577 . 1 1 68 68 GLY HA2 H 1 4.25 . . 2 . . . . . . . . . 5075 1 578 . 1 1 68 68 GLY HA3 H 1 3.14 . . 2 . . . . . . . . . 5075 1 579 . 1 1 68 68 GLY C C 13 176.0 . . 1 . . . . . . . . . 5075 1 580 . 1 1 68 68 GLY CA C 13 47.0 . . 1 . . . . . . . . . 5075 1 581 . 1 1 68 68 GLY N N 15 109.4 . . 1 . . . . . . . . . 5075 1 582 . 1 1 69 69 LEU H H 1 8.45 . . 1 . . . . . . . . . 5075 1 583 . 1 1 69 69 LEU HA H 1 3.30 . . 1 . . . . . . . . . 5075 1 584 . 1 1 69 69 LEU HB2 H 1 1.58 . . 2 . . . . . . . . . 5075 1 585 . 1 1 69 69 LEU HB3 H 1 0.51 . . 2 . . . . . . . . . 5075 1 586 . 1 1 69 69 LEU HG H 1 0.87 . . 1 . . . . . . . . . 5075 1 587 . 1 1 69 69 LEU HD11 H 1 0.25 . . 2 . . . . . . . . . 5075 1 588 . 1 1 69 69 LEU HD12 H 1 0.25 . . 2 . . . . . . . . . 5075 1 589 . 1 1 69 69 LEU HD13 H 1 0.25 . . 2 . . . . . . . . . 5075 1 590 . 1 1 69 69 LEU HD21 H 1 -1.01 . . 2 . . . . . . . . . 5075 1 591 . 1 1 69 69 LEU HD22 H 1 -1.01 . . 2 . . . . . . . . . 5075 1 592 . 1 1 69 69 LEU HD23 H 1 -1.01 . . 2 . . . . . . . . . 5075 1 593 . 1 1 69 69 LEU C C 13 175.1 . . 1 . . . . . . . . . 5075 1 594 . 1 1 69 69 LEU CA C 13 55.3 . . 1 . . . . . . . . . 5075 1 595 . 1 1 69 69 LEU CB C 13 37.7 . . 1 . . . . . . . . . 5075 1 596 . 1 1 69 69 LEU CG C 13 24.9 . . 1 . . . . . . . . . 5075 1 597 . 1 1 69 69 LEU CD1 C 13 25.1 . . 1 . . . . . . . . . 5075 1 598 . 1 1 69 69 LEU CD2 C 13 19.2 . . 1 . . . . . . . . . 5075 1 599 . 1 1 69 69 LEU N N 15 120.1 . . 1 . . . . . . . . . 5075 1 600 . 1 1 70 70 THR H H 1 7.36 . . 1 . . . . . . . . . 5075 1 601 . 1 1 70 70 THR HA H 1 4.40 . . 1 . . . . . . . . . 5075 1 602 . 1 1 70 70 THR HB H 1 3.91 . . 1 . . . . . . . . . 5075 1 603 . 1 1 70 70 THR HG21 H 1 1.16 . . 1 . . . . . . . . . 5075 1 604 . 1 1 70 70 THR HG22 H 1 1.16 . . 1 . . . . . . . . . 5075 1 605 . 1 1 70 70 THR HG23 H 1 1.16 . . 1 . . . . . . . . . 5075 1 606 . 1 1 70 70 THR C C 13 171.0 . . 1 . . . . . . . . . 5075 1 607 . 1 1 70 70 THR CA C 13 60.5 . . 1 . . . . . . . . . 5075 1 608 . 1 1 70 70 THR CB C 13 70.8 . . 1 . . . . . . . . . 5075 1 609 . 1 1 70 70 THR CG2 C 13 21.5 . . 1 . . . . . . . . . 5075 1 610 . 1 1 70 70 THR N N 15 121.4 . . 1 . . . . . . . . . 5075 1 611 . 1 1 71 71 ARG H H 1 8.87 . . 1 . . . . . . . . . 5075 1 612 . 1 1 71 71 ARG HA H 1 3.75 . . 1 . . . . . . . . . 5075 1 613 . 1 1 71 71 ARG HB2 H 1 0.65 . . 2 . . . . . . . . . 5075 1 614 . 1 1 71 71 ARG HB3 H 1 1.18 . . 2 . . . . . . . . . 5075 1 615 . 1 1 71 71 ARG HG2 H 1 1.58 . . 2 . . . . . . . . . 5075 1 616 . 1 1 71 71 ARG HG3 H 1 1.55 . . 2 . . . . . . . . . 5075 1 617 . 1 1 71 71 ARG HD2 H 1 3.11 . . 1 . . . . . . . . . 5075 1 618 . 1 1 71 71 ARG HD3 H 1 3.11 . . 1 . . . . . . . . . 5075 1 619 . 1 1 71 71 ARG C C 13 173.1 . . 1 . . . . . . . . . 5075 1 620 . 1 1 71 71 ARG CA C 13 56.9 . . 1 . . . . . . . . . 5075 1 621 . 1 1 71 71 ARG CB C 13 27.2 . . 1 . . . . . . . . . 5075 1 622 . 1 1 71 71 ARG N N 15 121.1 . . 1 . . . . . . . . . 5075 1 623 . 1 1 72 72 ASN H H 1 7.70 . . 1 . . . . . . . . . 5075 1 624 . 1 1 72 72 ASN HA H 1 4.66 . . 1 . . . . . . . . . 5075 1 625 . 1 1 72 72 ASN HB2 H 1 2.45 . . 2 . . . . . . . . . 5075 1 626 . 1 1 72 72 ASN HB3 H 1 2.07 . . 2 . . . . . . . . . 5075 1 627 . 1 1 72 72 ASN HD21 H 1 7.61 . . 2 . . . . . . . . . 5075 1 628 . 1 1 72 72 ASN HD22 H 1 6.95 . . 2 . . . . . . . . . 5075 1 629 . 1 1 72 72 ASN C C 13 172.6 . . 1 . . . . . . . . . 5075 1 630 . 1 1 72 72 ASN CA C 13 51.2 . . 1 . . . . . . . . . 5075 1 631 . 1 1 72 72 ASN CB C 13 37.5 . . 1 . . . . . . . . . 5075 1 632 . 1 1 72 72 ASN N N 15 123.1 . . 1 . . . . . . . . . 5075 1 633 . 1 1 72 72 ASN ND2 N 15 108.9 . . 1 . . . . . . . . . 5075 1 634 . 1 1 73 73 TYR H H 1 7.41 . . 1 . . . . . . . . . 5075 1 635 . 1 1 73 73 TYR HA H 1 4.83 . . 1 . . . . . . . . . 5075 1 636 . 1 1 73 73 TYR HB2 H 1 3.47 . . 2 . . . . . . . . . 5075 1 637 . 1 1 73 73 TYR HB3 H 1 2.91 . . 2 . . . . . . . . . 5075 1 638 . 1 1 73 73 TYR HD1 H 1 7.01 . . 1 . . . . . . . . . 5075 1 639 . 1 1 73 73 TYR HD2 H 1 7.01 . . 1 . . . . . . . . . 5075 1 640 . 1 1 73 73 TYR HE1 H 1 6.76 . . 1 . . . . . . . . . 5075 1 641 . 1 1 73 73 TYR HE2 H 1 6.76 . . 1 . . . . . . . . . 5075 1 642 . 1 1 73 73 TYR C C 13 177.2 . . 1 . . . . . . . . . 5075 1 643 . 1 1 73 73 TYR CA C 13 53.4 . . 1 . . . . . . . . . 5075 1 644 . 1 1 73 73 TYR CB C 13 37.6 . . 1 . . . . . . . . . 5075 1 645 . 1 1 73 73 TYR CD1 C 13 133.1 . . 1 . . . . . . . . . 5075 1 646 . 1 1 73 73 TYR CD2 C 13 133.1 . . 1 . . . . . . . . . 5075 1 647 . 1 1 73 73 TYR CE1 C 13 117.7 . . 1 . . . . . . . . . 5075 1 648 . 1 1 73 73 TYR CE2 C 13 117.7 . . 1 . . . . . . . . . 5075 1 649 . 1 1 73 73 TYR N N 15 114.7 . . 1 . . . . . . . . . 5075 1 650 . 1 1 74 74 CYS H H 1 9.13 . . 1 . . . . . . . . . 5075 1 651 . 1 1 74 74 CYS HA H 1 4.33 . . 1 . . . . . . . . . 5075 1 652 . 1 1 74 74 CYS HB2 H 1 3.41 . . 2 . . . . . . . . . 5075 1 653 . 1 1 74 74 CYS HB3 H 1 2.45 . . 2 . . . . . . . . . 5075 1 654 . 1 1 74 74 CYS C C 13 174.9 . . 1 . . . . . . . . . 5075 1 655 . 1 1 74 74 CYS CA C 13 59.8 . . 1 . . . . . . . . . 5075 1 656 . 1 1 74 74 CYS CB C 13 48.5 . . 1 . . . . . . . . . 5075 1 657 . 1 1 74 74 CYS N N 15 118.9 . . 1 . . . . . . . . . 5075 1 658 . 1 1 75 75 ARG H H 1 8.79 . . 1 . . . . . . . . . 5075 1 659 . 1 1 75 75 ARG HA H 1 5.10 . . 1 . . . . . . . . . 5075 1 660 . 1 1 75 75 ARG HB2 H 1 1.40 . . 2 . . . . . . . . . 5075 1 661 . 1 1 75 75 ARG HB3 H 1 1.19 . . 2 . . . . . . . . . 5075 1 662 . 1 1 75 75 ARG HG2 H 1 1.93 . . 1 . . . . . . . . . 5075 1 663 . 1 1 75 75 ARG HG3 H 1 1.93 . . 1 . . . . . . . . . 5075 1 664 . 1 1 75 75 ARG HD2 H 1 3.76 . . 2 . . . . . . . . . 5075 1 665 . 1 1 75 75 ARG HD3 H 1 3.14 . . 2 . . . . . . . . . 5075 1 666 . 1 1 75 75 ARG HE H 1 8.24 . . 1 . . . . . . . . . 5075 1 667 . 1 1 75 75 ARG C C 13 173.7 . . 1 . . . . . . . . . 5075 1 668 . 1 1 75 75 ARG CA C 13 52.8 . . 1 . . . . . . . . . 5075 1 669 . 1 1 75 75 ARG CB C 13 36.9 . . 1 . . . . . . . . . 5075 1 670 . 1 1 75 75 ARG N N 15 123.8 . . 1 . . . . . . . . . 5075 1 671 . 1 1 75 75 ARG NE N 15 86.4 . . 1 . . . . . . . . . 5075 1 672 . 1 1 76 76 ASN H H 1 8.14 . . 1 . . . . . . . . . 5075 1 673 . 1 1 76 76 ASN HA H 1 5.27 . . 1 . . . . . . . . . 5075 1 674 . 1 1 76 76 ASN HB2 H 1 2.42 . . 2 . . . . . . . . . 5075 1 675 . 1 1 76 76 ASN HB3 H 1 1.92 . . 2 . . . . . . . . . 5075 1 676 . 1 1 76 76 ASN HD21 H 1 6.92 . . 2 . . . . . . . . . 5075 1 677 . 1 1 76 76 ASN HD22 H 1 6.90 . . 2 . . . . . . . . . 5075 1 678 . 1 1 76 76 ASN CA C 13 49.3 . . 1 . . . . . . . . . 5075 1 679 . 1 1 76 76 ASN CB C 13 38.6 . . 1 . . . . . . . . . 5075 1 680 . 1 1 76 76 ASN N N 15 112.1 . . 1 . . . . . . . . . 5075 1 681 . 1 1 76 76 ASN ND2 N 15 107.2 . . 1 . . . . . . . . . 5075 1 682 . 1 1 77 77 PRO HD2 H 1 3.73 . . 2 . . . . . . . . . 5075 1 683 . 1 1 77 77 PRO HD3 H 1 3.52 . . 2 . . . . . . . . . 5075 1 684 . 1 1 77 77 PRO C C 13 175.9 . . 1 . . . . . . . . . 5075 1 685 . 1 1 77 77 PRO CA C 13 63.2 . . 1 . . . . . . . . . 5075 1 686 . 1 1 77 77 PRO CB C 13 31.2 . . 1 . . . . . . . . . 5075 1 687 . 1 1 78 78 ASP H H 1 8.90 . . 1 . . . . . . . . . 5075 1 688 . 1 1 78 78 ASP HA H 1 4.62 . . 1 . . . . . . . . . 5075 1 689 . 1 1 78 78 ASP HB2 H 1 3.01 . . 2 . . . . . . . . . 5075 1 690 . 1 1 78 78 ASP HB3 H 1 2.06 . . 2 . . . . . . . . . 5075 1 691 . 1 1 78 78 ASP C C 13 175.1 . . 1 . . . . . . . . . 5075 1 692 . 1 1 78 78 ASP CA C 13 53.0 . . 1 . . . . . . . . . 5075 1 693 . 1 1 78 78 ASP CB C 13 40.6 . . 1 . . . . . . . . . 5075 1 694 . 1 1 78 78 ASP N N 15 118.3 . . 1 . . . . . . . . . 5075 1 695 . 1 1 79 79 ALA H H 1 7.67 . . 1 . . . . . . . . . 5075 1 696 . 1 1 79 79 ALA HA H 1 3.77 . . 1 . . . . . . . . . 5075 1 697 . 1 1 79 79 ALA HB1 H 1 1.37 . . 1 . . . . . . . . . 5075 1 698 . 1 1 79 79 ALA HB2 H 1 1.37 . . 1 . . . . . . . . . 5075 1 699 . 1 1 79 79 ALA HB3 H 1 1.37 . . 1 . . . . . . . . . 5075 1 700 . 1 1 79 79 ALA C C 13 177.8 . . 1 . . . . . . . . . 5075 1 701 . 1 1 79 79 ALA CA C 13 53.9 . . 1 . . . . . . . . . 5075 1 702 . 1 1 79 79 ALA CB C 13 16.3 . . 1 . . . . . . . . . 5075 1 703 . 1 1 79 79 ALA N N 15 119.4 . . 1 . . . . . . . . . 5075 1 704 . 1 1 80 80 GLU H H 1 9.11 . . 1 . . . . . . . . . 5075 1 705 . 1 1 80 80 GLU HA H 1 4.25 . . 1 . . . . . . . . . 5075 1 706 . 1 1 80 80 GLU HB2 H 1 2.06 . . 2 . . . . . . . . . 5075 1 707 . 1 1 80 80 GLU HB3 H 1 1.98 . . 2 . . . . . . . . . 5075 1 708 . 1 1 80 80 GLU HG2 H 1 2.51 . . 1 . . . . . . . . . 5075 1 709 . 1 1 80 80 GLU HG3 H 1 2.51 . . 1 . . . . . . . . . 5075 1 710 . 1 1 80 80 GLU C C 13 178.4 . . 1 . . . . . . . . . 5075 1 711 . 1 1 80 80 GLU CA C 13 57.4 . . 1 . . . . . . . . . 5075 1 712 . 1 1 80 80 GLU CB C 13 31.9 . . 1 . . . . . . . . . 5075 1 713 . 1 1 80 80 GLU N N 15 120.3 . . 1 . . . . . . . . . 5075 1 714 . 1 1 81 81 ILE H H 1 9.16 . . 1 . . . . . . . . . 5075 1 715 . 1 1 81 81 ILE HA H 1 3.99 . . 1 . . . . . . . . . 5075 1 716 . 1 1 81 81 ILE HB H 1 1.85 . . 1 . . . . . . . . . 5075 1 717 . 1 1 81 81 ILE HG12 H 1 1.45 . . 2 . . . . . . . . . 5075 1 718 . 1 1 81 81 ILE HG13 H 1 1.30 . . 2 . . . . . . . . . 5075 1 719 . 1 1 81 81 ILE HG21 H 1 0.92 . . 1 . . . . . . . . . 5075 1 720 . 1 1 81 81 ILE HG22 H 1 0.92 . . 1 . . . . . . . . . 5075 1 721 . 1 1 81 81 ILE HG23 H 1 0.92 . . 1 . . . . . . . . . 5075 1 722 . 1 1 81 81 ILE HD11 H 1 0.77 . . 1 . . . . . . . . . 5075 1 723 . 1 1 81 81 ILE HD12 H 1 0.77 . . 1 . . . . . . . . . 5075 1 724 . 1 1 81 81 ILE HD13 H 1 0.77 . . 1 . . . . . . . . . 5075 1 725 . 1 1 81 81 ILE C C 13 175.1 . . 1 . . . . . . . . . 5075 1 726 . 1 1 81 81 ILE CA C 13 64.1 . . 1 . . . . . . . . . 5075 1 727 . 1 1 81 81 ILE CB C 13 38.6 . . 1 . . . . . . . . . 5075 1 728 . 1 1 81 81 ILE CG1 C 13 27.1 . . 1 . . . . . . . . . 5075 1 729 . 1 1 81 81 ILE CG2 C 13 18.2 . . 1 . . . . . . . . . 5075 1 730 . 1 1 81 81 ILE CD1 C 13 12.7 . . 1 . . . . . . . . . 5075 1 731 . 1 1 81 81 ILE N N 15 116.3 . . 1 . . . . . . . . . 5075 1 732 . 1 1 82 82 SER H H 1 7.49 . . 1 . . . . . . . . . 5075 1 733 . 1 1 82 82 SER HA H 1 4.43 . . 1 . . . . . . . . . 5075 1 734 . 1 1 82 82 SER HB2 H 1 3.52 . . 2 . . . . . . . . . 5075 1 735 . 1 1 82 82 SER HB3 H 1 3.65 . . 2 . . . . . . . . . 5075 1 736 . 1 1 82 82 SER CA C 13 57.2 . . 1 . . . . . . . . . 5075 1 737 . 1 1 82 82 SER CB C 13 62.6 . . 1 . . . . . . . . . 5075 1 738 . 1 1 82 82 SER N N 15 111.0 . . 1 . . . . . . . . . 5075 1 739 . 1 1 83 83 PRO HA H 1 4.17 . . 1 . . . . . . . . . 5075 1 740 . 1 1 83 83 PRO HB2 H 1 1.67 . . 2 . . . . . . . . . 5075 1 741 . 1 1 83 83 PRO HB3 H 1 1.35 . . 2 . . . . . . . . . 5075 1 742 . 1 1 83 83 PRO C C 13 172.7 . . 1 . . . . . . . . . 5075 1 743 . 1 1 83 83 PRO CA C 13 63.8 . . 1 . . . . . . . . . 5075 1 744 . 1 1 83 83 PRO CB C 13 32.4 . . 1 . . . . . . . . . 5075 1 745 . 1 1 84 84 TRP H H 1 9.44 . . 1 . . . . . . . . . 5075 1 746 . 1 1 84 84 TRP HA H 1 5.29 . . 1 . . . . . . . . . 5075 1 747 . 1 1 84 84 TRP HB2 H 1 3.55 . . 2 . . . . . . . . . 5075 1 748 . 1 1 84 84 TRP HB3 H 1 3.27 . . 2 . . . . . . . . . 5075 1 749 . 1 1 84 84 TRP HD1 H 1 7.57 . . 1 . . . . . . . . . 5075 1 750 . 1 1 84 84 TRP HE1 H 1 10.41 . . 1 . . . . . . . . . 5075 1 751 . 1 1 84 84 TRP HE3 H 1 6.98 . . 1 . . . . . . . . . 5075 1 752 . 1 1 84 84 TRP HZ2 H 1 7.24 . . 1 . . . . . . . . . 5075 1 753 . 1 1 84 84 TRP HH2 H 1 6.79 . . 1 . . . . . . . . . 5075 1 754 . 1 1 84 84 TRP C C 13 170.1 . . 1 . . . . . . . . . 5075 1 755 . 1 1 84 84 TRP CA C 13 56.3 . . 1 . . . . . . . . . 5075 1 756 . 1 1 84 84 TRP CB C 13 34.0 . . 1 . . . . . . . . . 5075 1 757 . 1 1 84 84 TRP CD1 C 13 128.7 . . 1 . . . . . . . . . 5075 1 758 . 1 1 84 84 TRP CZ2 C 13 112.8 . . 1 . . . . . . . . . 5075 1 759 . 1 1 84 84 TRP N N 15 126.0 . . 1 . . . . . . . . . 5075 1 760 . 1 1 84 84 TRP NE1 N 15 129.6 . . 1 . . . . . . . . . 5075 1 761 . 1 1 85 85 CYS H H 1 8.68 . . 1 . . . . . . . . . 5075 1 762 . 1 1 85 85 CYS HA H 1 4.22 . . 1 . . . . . . . . . 5075 1 763 . 1 1 85 85 CYS HB2 H 1 3.39 . . 2 . . . . . . . . . 5075 1 764 . 1 1 85 85 CYS HB3 H 1 2.94 . . 2 . . . . . . . . . 5075 1 765 . 1 1 85 85 CYS C C 13 174.8 . . 1 . . . . . . . . . 5075 1 766 . 1 1 85 85 CYS CA C 13 55.8 . . 1 . . . . . . . . . 5075 1 767 . 1 1 85 85 CYS CB C 13 42.8 . . 1 . . . . . . . . . 5075 1 768 . 1 1 85 85 CYS N N 15 109.9 . . 1 . . . . . . . . . 5075 1 769 . 1 1 86 86 TYR H H 1 7.92 . . 1 . . . . . . . . . 5075 1 770 . 1 1 86 86 TYR HA H 1 5.45 . . 1 . . . . . . . . . 5075 1 771 . 1 1 86 86 TYR HB2 H 1 2.99 . . 2 . . . . . . . . . 5075 1 772 . 1 1 86 86 TYR HB3 H 1 2.22 . . 2 . . . . . . . . . 5075 1 773 . 1 1 86 86 TYR HD1 H 1 6.95 . . 1 . . . . . . . . . 5075 1 774 . 1 1 86 86 TYR HD2 H 1 6.95 . . 1 . . . . . . . . . 5075 1 775 . 1 1 86 86 TYR HE1 H 1 6.73 . . 1 . . . . . . . . . 5075 1 776 . 1 1 86 86 TYR HE2 H 1 6.73 . . 1 . . . . . . . . . 5075 1 777 . 1 1 86 86 TYR C C 13 177.0 . . 1 . . . . . . . . . 5075 1 778 . 1 1 86 86 TYR CA C 13 59.4 . . 1 . . . . . . . . . 5075 1 779 . 1 1 86 86 TYR CB C 13 37.6 . . 1 . . . . . . . . . 5075 1 780 . 1 1 86 86 TYR CD1 C 13 133.0 . . 1 . . . . . . . . . 5075 1 781 . 1 1 86 86 TYR CD2 C 13 133.0 . . 1 . . . . . . . . . 5075 1 782 . 1 1 86 86 TYR CE1 C 13 117.6 . . 1 . . . . . . . . . 5075 1 783 . 1 1 86 86 TYR CE2 C 13 117.6 . . 1 . . . . . . . . . 5075 1 784 . 1 1 86 86 TYR N N 15 121.3 . . 1 . . . . . . . . . 5075 1 785 . 1 1 87 87 THR H H 1 7.82 . . 1 . . . . . . . . . 5075 1 786 . 1 1 87 87 THR HA H 1 5.32 . . 1 . . . . . . . . . 5075 1 787 . 1 1 87 87 THR HB H 1 4.17 . . 1 . . . . . . . . . 5075 1 788 . 1 1 87 87 THR HG1 H 1 6.06 . . 1 . . . . . . . . . 5075 1 789 . 1 1 87 87 THR HG21 H 1 1.12 . . 1 . . . . . . . . . 5075 1 790 . 1 1 87 87 THR HG22 H 1 1.12 . . 1 . . . . . . . . . 5075 1 791 . 1 1 87 87 THR HG23 H 1 1.12 . . 1 . . . . . . . . . 5075 1 792 . 1 1 87 87 THR C C 13 173.3 . . 1 . . . . . . . . . 5075 1 793 . 1 1 87 87 THR CA C 13 61.3 . . 1 . . . . . . . . . 5075 1 794 . 1 1 87 87 THR CB C 13 71.2 . . 1 . . . . . . . . . 5075 1 795 . 1 1 87 87 THR CG2 C 13 21.6 . . 1 . . . . . . . . . 5075 1 796 . 1 1 87 87 THR N N 15 111.7 . . 1 . . . . . . . . . 5075 1 797 . 1 1 88 88 MET H H 1 8.13 . . 1 . . . . . . . . . 5075 1 798 . 1 1 88 88 MET HA H 1 4.53 . . 1 . . . . . . . . . 5075 1 799 . 1 1 88 88 MET HB2 H 1 2.21 . . 2 . . . . . . . . . 5075 1 800 . 1 1 88 88 MET HB3 H 1 1.92 . . 2 . . . . . . . . . 5075 1 801 . 1 1 88 88 MET HG2 H 1 2.51 . . 1 . . . . . . . . . 5075 1 802 . 1 1 88 88 MET HG3 H 1 2.51 . . 1 . . . . . . . . . 5075 1 803 . 1 1 88 88 MET C C 13 176.9 . . 1 . . . . . . . . . 5075 1 804 . 1 1 88 88 MET CA C 13 54.3 . . 1 . . . . . . . . . 5075 1 805 . 1 1 88 88 MET CB C 13 30.9 . . 1 . . . . . . . . . 5075 1 806 . 1 1 88 88 MET N N 15 111.9 . . 1 . . . . . . . . . 5075 1 807 . 1 1 89 89 ASP H H 1 8.98 . . 1 . . . . . . . . . 5075 1 808 . 1 1 89 89 ASP HA H 1 4.95 . . 1 . . . . . . . . . 5075 1 809 . 1 1 89 89 ASP HB2 H 1 3.15 . . 2 . . . . . . . . . 5075 1 810 . 1 1 89 89 ASP HB3 H 1 2.52 . . 2 . . . . . . . . . 5075 1 811 . 1 1 89 89 ASP CA C 13 50.5 . . 1 . . . . . . . . . 5075 1 812 . 1 1 89 89 ASP CB C 13 42.8 . . 1 . . . . . . . . . 5075 1 813 . 1 1 89 89 ASP N N 15 123.7 . . 1 . . . . . . . . . 5075 1 814 . 1 1 90 90 PRO HA H 1 4.01 . . 1 . . . . . . . . . 5075 1 815 . 1 1 90 90 PRO HB2 H 1 2.32 . . 2 . . . . . . . . . 5075 1 816 . 1 1 90 90 PRO HB3 H 1 1.94 . . 2 . . . . . . . . . 5075 1 817 . 1 1 90 90 PRO HG2 H 1 2.06 . . 2 . . . . . . . . . 5075 1 818 . 1 1 90 90 PRO HG3 H 1 1.91 . . 2 . . . . . . . . . 5075 1 819 . 1 1 90 90 PRO HD2 H 1 4.19 . . 2 . . . . . . . . . 5075 1 820 . 1 1 90 90 PRO HD3 H 1 4.09 . . 2 . . . . . . . . . 5075 1 821 . 1 1 90 90 PRO C C 13 176.8 . . 1 . . . . . . . . . 5075 1 822 . 1 1 90 90 PRO CA C 13 64.5 . . 1 . . . . . . . . . 5075 1 823 . 1 1 90 90 PRO CB C 13 32.4 . . 1 . . . . . . . . . 5075 1 824 . 1 1 90 90 PRO CG C 13 27.4 . . 1 . . . . . . . . . 5075 1 825 . 1 1 90 90 PRO CD C 13 51.5 . . 1 . . . . . . . . . 5075 1 826 . 1 1 91 91 ASN H H 1 8.76 . . 1 . . . . . . . . . 5075 1 827 . 1 1 91 91 ASN HA H 1 4.74 . . 1 . . . . . . . . . 5075 1 828 . 1 1 91 91 ASN HB2 H 1 2.87 . . 2 . . . . . . . . . 5075 1 829 . 1 1 91 91 ASN HB3 H 1 2.73 . . 2 . . . . . . . . . 5075 1 830 . 1 1 91 91 ASN HD21 H 1 7.85 . . 2 . . . . . . . . . 5075 1 831 . 1 1 91 91 ASN HD22 H 1 7.00 . . 2 . . . . . . . . . 5075 1 832 . 1 1 91 91 ASN C C 13 175.1 . . 1 . . . . . . . . . 5075 1 833 . 1 1 91 91 ASN CA C 13 53.8 . . 1 . . . . . . . . . 5075 1 834 . 1 1 91 91 ASN CB C 13 39.6 . . 1 . . . . . . . . . 5075 1 835 . 1 1 91 91 ASN N N 15 113.3 . . 1 . . . . . . . . . 5075 1 836 . 1 1 91 91 ASN ND2 N 15 114.8 . . 1 . . . . . . . . . 5075 1 837 . 1 1 92 92 VAL H H 1 7.81 . . 1 . . . . . . . . . 5075 1 838 . 1 1 92 92 VAL HA H 1 4.11 . . 1 . . . . . . . . . 5075 1 839 . 1 1 92 92 VAL HB H 1 1.78 . . 1 . . . . . . . . . 5075 1 840 . 1 1 92 92 VAL HG11 H 1 0.59 . . 2 . . . . . . . . . 5075 1 841 . 1 1 92 92 VAL HG12 H 1 0.59 . . 2 . . . . . . . . . 5075 1 842 . 1 1 92 92 VAL HG13 H 1 0.59 . . 2 . . . . . . . . . 5075 1 843 . 1 1 92 92 VAL HG21 H 1 0.61 . . 2 . . . . . . . . . 5075 1 844 . 1 1 92 92 VAL HG22 H 1 0.61 . . 2 . . . . . . . . . 5075 1 845 . 1 1 92 92 VAL HG23 H 1 0.61 . . 2 . . . . . . . . . 5075 1 846 . 1 1 92 92 VAL C C 13 173.2 . . 1 . . . . . . . . . 5075 1 847 . 1 1 92 92 VAL CA C 13 61.5 . . 1 . . . . . . . . . 5075 1 848 . 1 1 92 92 VAL CB C 13 33.4 . . 1 . . . . . . . . . 5075 1 849 . 1 1 92 92 VAL CG1 C 13 20.1 . . 2 . . . . . . . . . 5075 1 850 . 1 1 92 92 VAL CG2 C 13 21.0 . . 2 . . . . . . . . . 5075 1 851 . 1 1 92 92 VAL N N 15 121.5 . . 1 . . . . . . . . . 5075 1 852 . 1 1 93 93 ARG H H 1 8.52 . . 1 . . . . . . . . . 5075 1 853 . 1 1 93 93 ARG HA H 1 4.10 . . 1 . . . . . . . . . 5075 1 854 . 1 1 93 93 ARG HB2 H 1 1.81 . . 2 . . . . . . . . . 5075 1 855 . 1 1 93 93 ARG HB3 H 1 1.66 . . 2 . . . . . . . . . 5075 1 856 . 1 1 93 93 ARG HG2 H 1 2.10 . . 2 . . . . . . . . . 5075 1 857 . 1 1 93 93 ARG HG3 H 1 1.45 . . 2 . . . . . . . . . 5075 1 858 . 1 1 93 93 ARG HD2 H 1 3.60 . . 2 . . . . . . . . . 5075 1 859 . 1 1 93 93 ARG HD3 H 1 3.13 . . 2 . . . . . . . . . 5075 1 860 . 1 1 93 93 ARG C C 13 174.6 . . 1 . . . . . . . . . 5075 1 861 . 1 1 93 93 ARG CA C 13 59.9 . . 1 . . . . . . . . . 5075 1 862 . 1 1 93 93 ARG CB C 13 29.8 . . 1 . . . . . . . . . 5075 1 863 . 1 1 93 93 ARG CD C 13 43.5 . . 1 . . . . . . . . . 5075 1 864 . 1 1 93 93 ARG N N 15 128.2 . . 1 . . . . . . . . . 5075 1 865 . 1 1 94 94 TRP H H 1 7.38 . . 1 . . . . . . . . . 5075 1 866 . 1 1 94 94 TRP HA H 1 5.33 . . 1 . . . . . . . . . 5075 1 867 . 1 1 94 94 TRP HB2 H 1 3.05 . . 2 . . . . . . . . . 5075 1 868 . 1 1 94 94 TRP HB3 H 1 2.68 . . 2 . . . . . . . . . 5075 1 869 . 1 1 94 94 TRP HD1 H 1 6.71 . . 1 . . . . . . . . . 5075 1 870 . 1 1 94 94 TRP HE1 H 1 9.65 . . 1 . . . . . . . . . 5075 1 871 . 1 1 94 94 TRP HE3 H 1 6.73 . . 1 . . . . . . . . . 5075 1 872 . 1 1 94 94 TRP HZ2 H 1 7.03 . . 1 . . . . . . . . . 5075 1 873 . 1 1 94 94 TRP HZ3 H 1 5.28 . . 1 . . . . . . . . . 5075 1 874 . 1 1 94 94 TRP HH2 H 1 6.61 . . 1 . . . . . . . . . 5075 1 875 . 1 1 94 94 TRP C C 13 173.1 . . 1 . . . . . . . . . 5075 1 876 . 1 1 94 94 TRP CA C 13 55.5 . . 1 . . . . . . . . . 5075 1 877 . 1 1 94 94 TRP CB C 13 31.9 . . 1 . . . . . . . . . 5075 1 878 . 1 1 94 94 TRP CD1 C 13 125.2 . . 1 . . . . . . . . . 5075 1 879 . 1 1 94 94 TRP CZ2 C 13 113.3 . . 1 . . . . . . . . . 5075 1 880 . 1 1 94 94 TRP CH2 C 13 124.1 . . 1 . . . . . . . . . 5075 1 881 . 1 1 94 94 TRP N N 15 109.3 . . 1 . . . . . . . . . 5075 1 882 . 1 1 94 94 TRP NE1 N 15 128.3 . . 1 . . . . . . . . . 5075 1 883 . 1 1 95 95 GLU H H 1 8.58 . . 1 . . . . . . . . . 5075 1 884 . 1 1 95 95 GLU HA H 1 3.72 . . 1 . . . . . . . . . 5075 1 885 . 1 1 95 95 GLU HB2 H 1 1.85 . . 2 . . . . . . . . . 5075 1 886 . 1 1 95 95 GLU HB3 H 1 1.69 . . 2 . . . . . . . . . 5075 1 887 . 1 1 95 95 GLU HG2 H 1 2.26 . . 1 . . . . . . . . . 5075 1 888 . 1 1 95 95 GLU HG3 H 1 2.26 . . 1 . . . . . . . . . 5075 1 889 . 1 1 95 95 GLU C C 13 175.5 . . 1 . . . . . . . . . 5075 1 890 . 1 1 95 95 GLU CA C 13 55.0 . . 1 . . . . . . . . . 5075 1 891 . 1 1 95 95 GLU CB C 13 39.2 . . 1 . . . . . . . . . 5075 1 892 . 1 1 95 95 GLU N N 15 117.1 . . 1 . . . . . . . . . 5075 1 893 . 1 1 96 96 TYR H H 1 7.98 . . 1 . . . . . . . . . 5075 1 894 . 1 1 96 96 TYR HA H 1 4.84 . . 1 . . . . . . . . . 5075 1 895 . 1 1 96 96 TYR HB2 H 1 3.28 . . 2 . . . . . . . . . 5075 1 896 . 1 1 96 96 TYR HB3 H 1 2.63 . . 2 . . . . . . . . . 5075 1 897 . 1 1 96 96 TYR HD1 H 1 7.27 . . 1 . . . . . . . . . 5075 1 898 . 1 1 96 96 TYR HD2 H 1 7.27 . . 1 . . . . . . . . . 5075 1 899 . 1 1 96 96 TYR HE1 H 1 6.91 . . 1 . . . . . . . . . 5075 1 900 . 1 1 96 96 TYR HE2 H 1 6.91 . . 1 . . . . . . . . . 5075 1 901 . 1 1 96 96 TYR C C 13 176.7 . . 1 . . . . . . . . . 5075 1 902 . 1 1 96 96 TYR CA C 13 59.8 . . 1 . . . . . . . . . 5075 1 903 . 1 1 96 96 TYR CB C 13 39.0 . . 1 . . . . . . . . . 5075 1 904 . 1 1 96 96 TYR CD1 C 13 133.8 . . 1 . . . . . . . . . 5075 1 905 . 1 1 96 96 TYR CD2 C 13 133.8 . . 1 . . . . . . . . . 5075 1 906 . 1 1 96 96 TYR CE1 C 13 117.5 . . 1 . . . . . . . . . 5075 1 907 . 1 1 96 96 TYR CE2 C 13 117.5 . . 1 . . . . . . . . . 5075 1 908 . 1 1 96 96 TYR N N 15 116.6 . . 1 . . . . . . . . . 5075 1 909 . 1 1 97 97 CYS H H 1 8.85 . . 1 . . . . . . . . . 5075 1 910 . 1 1 97 97 CYS HA H 1 5.07 . . 1 . . . . . . . . . 5075 1 911 . 1 1 97 97 CYS HB2 H 1 3.37 . . 2 . . . . . . . . . 5075 1 912 . 1 1 97 97 CYS HB3 H 1 3.00 . . 2 . . . . . . . . . 5075 1 913 . 1 1 97 97 CYS C C 13 170.2 . . 1 . . . . . . . . . 5075 1 914 . 1 1 97 97 CYS CA C 13 57.1 . . 1 . . . . . . . . . 5075 1 915 . 1 1 97 97 CYS CB C 13 48.2 . . 1 . . . . . . . . . 5075 1 916 . 1 1 97 97 CYS N N 15 116.7 . . 1 . . . . . . . . . 5075 1 917 . 1 1 98 98 ASN H H 1 8.38 . . 1 . . . . . . . . . 5075 1 918 . 1 1 98 98 ASN HA H 1 4.92 . . 1 . . . . . . . . . 5075 1 919 . 1 1 98 98 ASN HB2 H 1 3.17 . . 2 . . . . . . . . . 5075 1 920 . 1 1 98 98 ASN HB3 H 1 2.32 . . 2 . . . . . . . . . 5075 1 921 . 1 1 98 98 ASN HD21 H 1 7.62 . . 2 . . . . . . . . . 5075 1 922 . 1 1 98 98 ASN HD22 H 1 6.92 . . 2 . . . . . . . . . 5075 1 923 . 1 1 98 98 ASN C C 13 172.1 . . 1 . . . . . . . . . 5075 1 924 . 1 1 98 98 ASN CA C 13 52.5 . . 1 . . . . . . . . . 5075 1 925 . 1 1 98 98 ASN CB C 13 37.1 . . 1 . . . . . . . . . 5075 1 926 . 1 1 98 98 ASN N N 15 122.0 . . 1 . . . . . . . . . 5075 1 927 . 1 1 98 98 ASN ND2 N 15 110.4 . . 1 . . . . . . . . . 5075 1 928 . 1 1 99 99 LEU H H 1 7.24 . . 1 . . . . . . . . . 5075 1 929 . 1 1 99 99 LEU HA H 1 4.27 . . 1 . . . . . . . . . 5075 1 930 . 1 1 99 99 LEU HB2 H 1 1.34 . . 2 . . . . . . . . . 5075 1 931 . 1 1 99 99 LEU HB3 H 1 1.17 . . 2 . . . . . . . . . 5075 1 932 . 1 1 99 99 LEU HG H 1 0.98 . . 1 . . . . . . . . . 5075 1 933 . 1 1 99 99 LEU HD11 H 1 0.23 . . 2 . . . . . . . . . 5075 1 934 . 1 1 99 99 LEU HD12 H 1 0.23 . . 2 . . . . . . . . . 5075 1 935 . 1 1 99 99 LEU HD13 H 1 0.23 . . 2 . . . . . . . . . 5075 1 936 . 1 1 99 99 LEU HD21 H 1 0.17 . . 2 . . . . . . . . . 5075 1 937 . 1 1 99 99 LEU HD22 H 1 0.17 . . 2 . . . . . . . . . 5075 1 938 . 1 1 99 99 LEU HD23 H 1 0.17 . . 2 . . . . . . . . . 5075 1 939 . 1 1 99 99 LEU C C 13 175.6 . . 1 . . . . . . . . . 5075 1 940 . 1 1 99 99 LEU CA C 13 52.9 . . 1 . . . . . . . . . 5075 1 941 . 1 1 99 99 LEU CB C 13 48.0 . . 1 . . . . . . . . . 5075 1 942 . 1 1 99 99 LEU CD1 C 13 23.2 . . 2 . . . . . . . . . 5075 1 943 . 1 1 99 99 LEU CD2 C 13 24.5 . . 2 . . . . . . . . . 5075 1 944 . 1 1 99 99 LEU N N 15 119.7 . . 1 . . . . . . . . . 5075 1 945 . 1 1 100 100 THR H H 1 8.11 . . 1 . . . . . . . . . 5075 1 946 . 1 1 100 100 THR HA H 1 4.45 . . 1 . . . . . . . . . 5075 1 947 . 1 1 100 100 THR HB H 1 4.00 . . 1 . . . . . . . . . 5075 1 948 . 1 1 100 100 THR HG21 H 1 1.08 . . 1 . . . . . . . . . 5075 1 949 . 1 1 100 100 THR HG22 H 1 1.08 . . 1 . . . . . . . . . 5075 1 950 . 1 1 100 100 THR HG23 H 1 1.08 . . 1 . . . . . . . . . 5075 1 951 . 1 1 100 100 THR C C 13 172.5 . . 1 . . . . . . . . . 5075 1 952 . 1 1 100 100 THR CA C 13 59.7 . . 1 . . . . . . . . . 5075 1 953 . 1 1 100 100 THR CB C 13 71.3 . . 1 . . . . . . . . . 5075 1 954 . 1 1 100 100 THR CG2 C 13 20.8 . . 1 . . . . . . . . . 5075 1 955 . 1 1 100 100 THR N N 15 113.5 . . 1 . . . . . . . . . 5075 1 956 . 1 1 101 101 GLN H H 1 8.21 . . 1 . . . . . . . . . 5075 1 957 . 1 1 101 101 GLN HA H 1 3.51 . . 1 . . . . . . . . . 5075 1 958 . 1 1 101 101 GLN HB2 H 1 1.78 . . 2 . . . . . . . . . 5075 1 959 . 1 1 101 101 GLN HB3 H 1 1.59 . . 2 . . . . . . . . . 5075 1 960 . 1 1 101 101 GLN HG2 H 1 2.23 . . 1 . . . . . . . . . 5075 1 961 . 1 1 101 101 GLN HG3 H 1 2.23 . . 1 . . . . . . . . . 5075 1 962 . 1 1 101 101 GLN C C 13 177.3 . . 1 . . . . . . . . . 5075 1 963 . 1 1 101 101 GLN CA C 13 54.4 . . 1 . . . . . . . . . 5075 1 964 . 1 1 101 101 GLN CB C 13 29.9 . . 1 . . . . . . . . . 5075 1 965 . 1 1 101 101 GLN CG C 13 30.0 . . 1 . . . . . . . . . 5075 1 966 . 1 1 101 101 GLN N N 15 122.3 . . 1 . . . . . . . . . 5075 1 967 . 1 1 102 102 CYS H H 1 9.04 . . 1 . . . . . . . . . 5075 1 968 . 1 1 102 102 CYS HA H 1 4.39 . . 1 . . . . . . . . . 5075 1 969 . 1 1 102 102 CYS HB2 H 1 3.03 . . 2 . . . . . . . . . 5075 1 970 . 1 1 102 102 CYS HB3 H 1 1.86 . . 2 . . . . . . . . . 5075 1 971 . 1 1 102 102 CYS CA C 13 52.3 . . 1 . . . . . . . . . 5075 1 972 . 1 1 102 102 CYS CB C 13 38.5 . . 1 . . . . . . . . . 5075 1 973 . 1 1 102 102 CYS N N 15 127.0 . . 1 . . . . . . . . . 5075 1 974 . 1 1 103 103 PRO C C 13 176.5 . . 1 . . . . . . . . . 5075 1 975 . 1 1 103 103 PRO CA C 13 63.0 . . 1 . . . . . . . . . 5075 1 976 . 1 1 103 103 PRO CB C 13 31.9 . . 1 . . . . . . . . . 5075 1 977 . 1 1 104 104 VAL H H 1 8.33 . . 1 . . . . . . . . . 5075 1 978 . 1 1 104 104 VAL HA H 1 4.16 . . 1 . . . . . . . . . 5075 1 979 . 1 1 104 104 VAL HB H 1 2.08 . . 1 . . . . . . . . . 5075 1 980 . 1 1 104 104 VAL HG11 H 1 0.96 . . 1 . . . . . . . . . 5075 1 981 . 1 1 104 104 VAL HG12 H 1 0.96 . . 1 . . . . . . . . . 5075 1 982 . 1 1 104 104 VAL HG13 H 1 0.96 . . 1 . . . . . . . . . 5075 1 983 . 1 1 104 104 VAL HG21 H 1 0.96 . . 1 . . . . . . . . . 5075 1 984 . 1 1 104 104 VAL HG22 H 1 0.96 . . 1 . . . . . . . . . 5075 1 985 . 1 1 104 104 VAL HG23 H 1 0.96 . . 1 . . . . . . . . . 5075 1 986 . 1 1 104 104 VAL C C 13 176.4 . . 1 . . . . . . . . . 5075 1 987 . 1 1 104 104 VAL CA C 13 62.5 . . 1 . . . . . . . . . 5075 1 988 . 1 1 104 104 VAL CB C 13 32.5 . . 1 . . . . . . . . . 5075 1 989 . 1 1 104 104 VAL N N 15 120.9 . . 1 . . . . . . . . . 5075 1 990 . 1 1 105 105 THR H H 1 8.19 . . 1 . . . . . . . . . 5075 1 991 . 1 1 105 105 THR HA H 1 4.38 . . 1 . . . . . . . . . 5075 1 992 . 1 1 105 105 THR HB H 1 4.16 . . 1 . . . . . . . . . 5075 1 993 . 1 1 105 105 THR HG21 H 1 1.19 . . 1 . . . . . . . . . 5075 1 994 . 1 1 105 105 THR HG22 H 1 1.19 . . 1 . . . . . . . . . 5075 1 995 . 1 1 105 105 THR HG23 H 1 1.19 . . 1 . . . . . . . . . 5075 1 996 . 1 1 105 105 THR C C 13 174.5 . . 1 . . . . . . . . . 5075 1 997 . 1 1 105 105 THR CA C 13 61.6 . . 1 . . . . . . . . . 5075 1 998 . 1 1 105 105 THR CB C 13 70.0 . . 1 . . . . . . . . . 5075 1 999 . 1 1 105 105 THR N N 15 117.9 . . 1 . . . . . . . . . 5075 1 1000 . 1 1 106 106 GLU H H 1 8.47 . . 1 . . . . . . . . . 5075 1 1001 . 1 1 106 106 GLU HA H 1 4.36 . . 1 . . . . . . . . . 5075 1 1002 . 1 1 106 106 GLU HB2 H 1 2.06 . . 2 . . . . . . . . . 5075 1 1003 . 1 1 106 106 GLU HB3 H 1 1.90 . . 2 . . . . . . . . . 5075 1 1004 . 1 1 106 106 GLU HG2 H 1 2.27 . . 1 . . . . . . . . . 5075 1 1005 . 1 1 106 106 GLU HG3 H 1 2.27 . . 1 . . . . . . . . . 5075 1 1006 . 1 1 106 106 GLU C C 13 176.5 . . 1 . . . . . . . . . 5075 1 1007 . 1 1 106 106 GLU CA C 13 56.8 . . 1 . . . . . . . . . 5075 1 1008 . 1 1 106 106 GLU CB C 13 30.3 . . 1 . . . . . . . . . 5075 1 1009 . 1 1 106 106 GLU N N 15 123.6 . . 1 . . . . . . . . . 5075 1 1010 . 1 1 107 107 SER H H 1 8.36 . . 1 . . . . . . . . . 5075 1 1011 . 1 1 107 107 SER HA H 1 4.47 . . 1 . . . . . . . . . 5075 1 1012 . 1 1 107 107 SER C C 13 174.8 . . 1 . . . . . . . . . 5075 1 1013 . 1 1 107 107 SER CA C 13 58.5 . . 1 . . . . . . . . . 5075 1 1014 . 1 1 107 107 SER CB C 13 64.0 . . 1 . . . . . . . . . 5075 1 1015 . 1 1 107 107 SER N N 15 116.8 . . 1 . . . . . . . . . 5075 1 1016 . 1 1 108 108 SER H H 1 8.33 . . 1 . . . . . . . . . 5075 1 1017 . 1 1 108 108 SER HA H 1 4.50 . . 1 . . . . . . . . . 5075 1 1018 . 1 1 108 108 SER C C 13 174.6 . . 1 . . . . . . . . . 5075 1 1019 . 1 1 108 108 SER CA C 13 58.7 . . 1 . . . . . . . . . 5075 1 1020 . 1 1 108 108 SER CB C 13 63.9 . . 1 . . . . . . . . . 5075 1 1021 . 1 1 108 108 SER N N 15 118.5 . . 1 . . . . . . . . . 5075 1 1022 . 1 1 109 109 VAL H H 1 8.08 . . 1 . . . . . . . . . 5075 1 1023 . 1 1 109 109 VAL HA H 1 4.19 . . 1 . . . . . . . . . 5075 1 1024 . 1 1 109 109 VAL HB H 1 2.10 . . 1 . . . . . . . . . 5075 1 1025 . 1 1 109 109 VAL HG11 H 1 0.88 . . 1 . . . . . . . . . 5075 1 1026 . 1 1 109 109 VAL HG12 H 1 0.88 . . 1 . . . . . . . . . 5075 1 1027 . 1 1 109 109 VAL HG13 H 1 0.88 . . 1 . . . . . . . . . 5075 1 1028 . 1 1 109 109 VAL HG21 H 1 0.88 . . 1 . . . . . . . . . 5075 1 1029 . 1 1 109 109 VAL HG22 H 1 0.88 . . 1 . . . . . . . . . 5075 1 1030 . 1 1 109 109 VAL HG23 H 1 0.88 . . 1 . . . . . . . . . 5075 1 1031 . 1 1 109 109 VAL C C 13 176.2 . . 1 . . . . . . . . . 5075 1 1032 . 1 1 109 109 VAL CA C 13 62.6 . . 1 . . . . . . . . . 5075 1 1033 . 1 1 109 109 VAL CB C 13 32.4 . . 1 . . . . . . . . . 5075 1 1034 . 1 1 109 109 VAL N N 15 121.6 . . 1 . . . . . . . . . 5075 1 1035 . 1 1 110 110 LEU H H 1 8.16 . . 1 . . . . . . . . . 5075 1 1036 . 1 1 110 110 LEU HA H 1 4.35 . . 1 . . . . . . . . . 5075 1 1037 . 1 1 110 110 LEU HD11 H 1 0.93 . . 2 . . . . . . . . . 5075 1 1038 . 1 1 110 110 LEU HD12 H 1 0.93 . . 2 . . . . . . . . . 5075 1 1039 . 1 1 110 110 LEU HD13 H 1 0.93 . . 2 . . . . . . . . . 5075 1 1040 . 1 1 110 110 LEU HD21 H 1 0.85 . . 2 . . . . . . . . . 5075 1 1041 . 1 1 110 110 LEU HD22 H 1 0.85 . . 2 . . . . . . . . . 5075 1 1042 . 1 1 110 110 LEU HD23 H 1 0.85 . . 2 . . . . . . . . . 5075 1 1043 . 1 1 110 110 LEU C C 13 177.1 . . 1 . . . . . . . . . 5075 1 1044 . 1 1 110 110 LEU CA C 13 55.1 . . 1 . . . . . . . . . 5075 1 1045 . 1 1 110 110 LEU CB C 13 42.2 . . 1 . . . . . . . . . 5075 1 1046 . 1 1 110 110 LEU CD1 C 13 24.3 . . 2 . . . . . . . . . 5075 1 1047 . 1 1 110 110 LEU CD2 C 13 23.0 . . 2 . . . . . . . . . 5075 1 1048 . 1 1 110 110 LEU N N 15 125.3 . . 1 . . . . . . . . . 5075 1 1049 . 1 1 111 111 ALA H H 1 8.25 . . 1 . . . . . . . . . 5075 1 1050 . 1 1 111 111 ALA HA H 1 4.37 . . 1 . . . . . . . . . 5075 1 1051 . 1 1 111 111 ALA HB1 H 1 1.39 . . 1 . . . . . . . . . 5075 1 1052 . 1 1 111 111 ALA HB2 H 1 1.39 . . 1 . . . . . . . . . 5075 1 1053 . 1 1 111 111 ALA HB3 H 1 1.39 . . 1 . . . . . . . . . 5075 1 1054 . 1 1 111 111 ALA C C 13 177.9 . . 1 . . . . . . . . . 5075 1 1055 . 1 1 111 111 ALA CA C 13 52.6 . . 1 . . . . . . . . . 5075 1 1056 . 1 1 111 111 ALA CB C 13 19.4 . . 1 . . . . . . . . . 5075 1 1057 . 1 1 111 111 ALA N N 15 124.9 . . 1 . . . . . . . . . 5075 1 1058 . 1 1 112 112 THR H H 1 8.01 . . 1 . . . . . . . . . 5075 1 1059 . 1 1 112 112 THR HA H 1 4.31 . . 1 . . . . . . . . . 5075 1 1060 . 1 1 112 112 THR C C 13 174.7 . . 1 . . . . . . . . . 5075 1 1061 . 1 1 112 112 THR CA C 13 61.8 . . 1 . . . . . . . . . 5075 1 1062 . 1 1 112 112 THR CB C 13 69.8 . . 1 . . . . . . . . . 5075 1 1063 . 1 1 112 112 THR N N 15 112.5 . . 1 . . . . . . . . . 5075 1 1064 . 1 1 113 113 SER H H 1 8.34 . . 1 . . . . . . . . . 5075 1 1065 . 1 1 113 113 SER HA H 1 4.51 . . 1 . . . . . . . . . 5075 1 1066 . 1 1 113 113 SER HB2 H 1 3.86 . . 1 . . . . . . . . . 5075 1 1067 . 1 1 113 113 SER HB3 H 1 3.86 . . 1 . . . . . . . . . 5075 1 1068 . 1 1 113 113 SER C C 13 174.8 . . 1 . . . . . . . . . 5075 1 1069 . 1 1 113 113 SER CA C 13 58.3 . . 1 . . . . . . . . . 5075 1 1070 . 1 1 113 113 SER CB C 13 64.0 . . 1 . . . . . . . . . 5075 1 1071 . 1 1 113 113 SER N N 15 118.1 . . 1 . . . . . . . . . 5075 1 1072 . 1 1 114 114 THR H H 1 8.13 . . 1 . . . . . . . . . 5075 1 1073 . 1 1 114 114 THR HA H 1 4.34 . . 1 . . . . . . . . . 5075 1 1074 . 1 1 114 114 THR C C 13 174.2 . . 1 . . . . . . . . . 5075 1 1075 . 1 1 114 114 THR CA C 13 61.9 . . 1 . . . . . . . . . 5075 1 1076 . 1 1 114 114 THR CB C 13 69.7 . . 1 . . . . . . . . . 5075 1 1077 . 1 1 114 114 THR N N 15 116.0 . . 1 . . . . . . . . . 5075 1 1078 . 1 1 115 115 ALA H H 1 8.44 . . 1 . . . . . . . . . 5075 1 1079 . 1 1 115 115 ALA HA H 1 4.37 . . 1 . . . . . . . . . 5075 1 1080 . 1 1 115 115 ALA C C 13 177.6 . . 1 . . . . . . . . . 5075 1 1081 . 1 1 115 115 ALA CA C 13 52.5 . . 1 . . . . . . . . . 5075 1 1082 . 1 1 115 115 ALA CB C 13 19.5 . . 1 . . . . . . . . . 5075 1 1083 . 1 1 115 115 ALA N N 15 127.1 . . 1 . . . . . . . . . 5075 1 1084 . 1 1 116 116 VAL H H 1 8.15 . . 1 . . . . . . . . . 5075 1 1085 . 1 1 116 116 VAL HA H 1 4.11 . . 1 . . . . . . . . . 5075 1 1086 . 1 1 116 116 VAL C C 13 176.2 . . 1 . . . . . . . . . 5075 1 1087 . 1 1 116 116 VAL CA C 13 62.2 . . 1 . . . . . . . . . 5075 1 1088 . 1 1 116 116 VAL CB C 13 32.9 . . 1 . . . . . . . . . 5075 1 1089 . 1 1 116 116 VAL N N 15 119.2 . . 1 . . . . . . . . . 5075 1 1090 . 1 1 117 117 SER H H 1 8.33 . . 1 . . . . . . . . . 5075 1 1091 . 1 1 117 117 SER HA H 1 4.48 . . 1 . . . . . . . . . 5075 1 1092 . 1 1 117 117 SER HB2 H 1 3.86 . . 1 . . . . . . . . . 5075 1 1093 . 1 1 117 117 SER HB3 H 1 3.86 . . 1 . . . . . . . . . 5075 1 1094 . 1 1 117 117 SER C C 13 174.3 . . 1 . . . . . . . . . 5075 1 1095 . 1 1 117 117 SER CA C 13 54.2 . . 1 . . . . . . . . . 5075 1 1096 . 1 1 117 117 SER CB C 13 64.1 . . 1 . . . . . . . . . 5075 1 1097 . 1 1 117 117 SER N N 15 119.2 . . 1 . . . . . . . . . 5075 1 1098 . 1 1 118 118 GLU H H 1 8.42 . . 1 . . . . . . . . . 5075 1 1099 . 1 1 118 118 GLU HA H 1 4.34 . . 1 . . . . . . . . . 5075 1 1100 . 1 1 118 118 GLU HB2 H 1 2.07 . . 1 . . . . . . . . . 5075 1 1101 . 1 1 118 118 GLU HB3 H 1 1.95 . . 1 . . . . . . . . . 5075 1 1102 . 1 1 118 118 GLU C C 13 175.5 . . 1 . . . . . . . . . 5075 1 1103 . 1 1 118 118 GLU CA C 13 56.7 . . 1 . . . . . . . . . 5075 1 1104 . 1 1 118 118 GLU CB C 13 30.3 . . 1 . . . . . . . . . 5075 1 1105 . 1 1 118 118 GLU N N 15 123.9 . . 1 . . . . . . . . . 5075 1 1106 . 1 1 119 119 GLN H H 1 7.95 . . 1 . . . . . . . . . 5075 1 1107 . 1 1 119 119 GLN HA H 1 4.16 . . 1 . . . . . . . . . 5075 1 1108 . 1 1 119 119 GLN CA C 13 57.4 . . 1 . . . . . . . . . 5075 1 1109 . 1 1 119 119 GLN CB C 13 30.7 . . 1 . . . . . . . . . 5075 1 1110 . 1 1 119 119 GLN N N 15 125.7 . . 1 . . . . . . . . . 5075 1 stop_ save_