data_30388 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30388 _Entry.Title ; Solution NMR structure of cysteine-rich calcium bound domains of very low density lipoprotein receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-12-21 _Entry.Accession_date 2017-12-21 _Entry.Last_release_date 2018-05-24 _Entry.Original_release_date 2018-05-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30388 stop_ 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 K. Banerjee K. . . . 30388 2 J. Gruschus J. M. . . 30388 3 N. Tjandra N. . . . 30388 4 S. Yakovlev S. . . . 30388 5 L. Medved L. . . . 30388 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID '3 modules' . 30388 'STRUCTURAL PROTEIN' . 30388 'calcium-bound domains' . 30388 'disulfide bonds' . 30388 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30388 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 403 30388 '15N chemical shifts' 125 30388 '1H chemical shifts' 647 30388 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 . . 2018-07-10 . original BMRB . 30388 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6BYV . 30388 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30388 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution NMR structure of cysteine-rich calcium bound domains of very low density lipoprotein receptor ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Banerjee K. . . . 30388 1 2 J. Gruschus J. M. . . 30388 1 3 N. Tjandra N. . . . 30388 1 4 S. Yakovlev S. . . . 30388 1 5 L. Medved L. . . . 30388 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30388 _Assembly.ID 1 _Assembly.Name 'Very low-density lipoprotein receptor' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30388 1 2 'entity_2, 1' 2 $entity_CA B A no . . . . . . 30388 1 3 'entity_2, 2' 2 $entity_CA C A no . . . . . . 30388 1 4 'entity_2, 3' 2 $entity_CA D A no . . . . . . 30388 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30388 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KTCAESDFVCNNGQCVPSRW KCDGDPDCEDGSDESPEQCH MRTCRIHEISCGAHSTQCIP VSWRCDGENDCDSGEDEENC GNITCSPDEFTCSSGRCISR NFVCNGQDDCSDGSDELDCA P ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13175.093 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID VLDL-R na 30388 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 . LYS . 30388 1 2 . THR . 30388 1 3 . CYS . 30388 1 4 . ALA . 30388 1 5 . GLU . 30388 1 6 . SER . 30388 1 7 . ASP . 30388 1 8 . PHE . 30388 1 9 . VAL . 30388 1 10 . CYS . 30388 1 11 . ASN . 30388 1 12 . ASN . 30388 1 13 . GLY . 30388 1 14 . GLN . 30388 1 15 . CYS . 30388 1 16 . VAL . 30388 1 17 . PRO . 30388 1 18 . SER . 30388 1 19 . ARG . 30388 1 20 . TRP . 30388 1 21 . LYS . 30388 1 22 . CYS . 30388 1 23 . ASP . 30388 1 24 . GLY . 30388 1 25 . ASP . 30388 1 26 . PRO . 30388 1 27 . ASP . 30388 1 28 . CYS . 30388 1 29 . GLU . 30388 1 30 . ASP . 30388 1 31 . GLY . 30388 1 32 . SER . 30388 1 33 . ASP . 30388 1 34 . GLU . 30388 1 35 . SER . 30388 1 36 . PRO . 30388 1 37 . GLU . 30388 1 38 . GLN . 30388 1 39 . CYS . 30388 1 40 . HIS . 30388 1 41 . MET . 30388 1 42 . ARG . 30388 1 43 . THR . 30388 1 44 . CYS . 30388 1 45 . ARG . 30388 1 46 . ILE . 30388 1 47 . HIS . 30388 1 48 . GLU . 30388 1 49 . ILE . 30388 1 50 . SER . 30388 1 51 . CYS . 30388 1 52 . GLY . 30388 1 53 . ALA . 30388 1 54 . HIS . 30388 1 55 . SER . 30388 1 56 . THR . 30388 1 57 . GLN . 30388 1 58 . CYS . 30388 1 59 . ILE . 30388 1 60 . PRO . 30388 1 61 . VAL . 30388 1 62 . SER . 30388 1 63 . TRP . 30388 1 64 . ARG . 30388 1 65 . CYS . 30388 1 66 . ASP . 30388 1 67 . GLY . 30388 1 68 . GLU . 30388 1 69 . ASN . 30388 1 70 . ASP . 30388 1 71 . CYS . 30388 1 72 . ASP . 30388 1 73 . SER . 30388 1 74 . GLY . 30388 1 75 . GLU . 30388 1 76 . ASP . 30388 1 77 . GLU . 30388 1 78 . GLU . 30388 1 79 . ASN . 30388 1 80 . CYS . 30388 1 81 . GLY . 30388 1 82 . ASN . 30388 1 83 . ILE . 30388 1 84 . THR . 30388 1 85 . CYS . 30388 1 86 . SER . 30388 1 87 . PRO . 30388 1 88 . ASP . 30388 1 89 . GLU . 30388 1 90 . PHE . 30388 1 91 . THR . 30388 1 92 . CYS . 30388 1 93 . SER . 30388 1 94 . SER . 30388 1 95 . GLY . 30388 1 96 . ARG . 30388 1 97 . CYS . 30388 1 98 . ILE . 30388 1 99 . SER . 30388 1 100 . ARG . 30388 1 101 . ASN . 30388 1 102 . PHE . 30388 1 103 . VAL . 30388 1 104 . CYS . 30388 1 105 . ASN . 30388 1 106 . GLY . 30388 1 107 . GLN . 30388 1 108 . ASP . 30388 1 109 . ASP . 30388 1 110 . CYS . 30388 1 111 . SER . 30388 1 112 . ASP . 30388 1 113 . GLY . 30388 1 114 . SER . 30388 1 115 . ASP . 30388 1 116 . GLU . 30388 1 117 . LEU . 30388 1 118 . ASP . 30388 1 119 . CYS . 30388 1 120 . ALA . 30388 1 121 . PRO . 30388 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 . LYS 1 1 30388 1 . THR 2 2 30388 1 . CYS 3 3 30388 1 . ALA 4 4 30388 1 . GLU 5 5 30388 1 . SER 6 6 30388 1 . ASP 7 7 30388 1 . PHE 8 8 30388 1 . VAL 9 9 30388 1 . CYS 10 10 30388 1 . ASN 11 11 30388 1 . ASN 12 12 30388 1 . GLY 13 13 30388 1 . GLN 14 14 30388 1 . CYS 15 15 30388 1 . VAL 16 16 30388 1 . PRO 17 17 30388 1 . SER 18 18 30388 1 . ARG 19 19 30388 1 . TRP 20 20 30388 1 . LYS 21 21 30388 1 . CYS 22 22 30388 1 . ASP 23 23 30388 1 . GLY 24 24 30388 1 . ASP 25 25 30388 1 . PRO 26 26 30388 1 . ASP 27 27 30388 1 . CYS 28 28 30388 1 . GLU 29 29 30388 1 . ASP 30 30 30388 1 . GLY 31 31 30388 1 . SER 32 32 30388 1 . ASP 33 33 30388 1 . GLU 34 34 30388 1 . SER 35 35 30388 1 . PRO 36 36 30388 1 . GLU 37 37 30388 1 . GLN 38 38 30388 1 . CYS 39 39 30388 1 . HIS 40 40 30388 1 . MET 41 41 30388 1 . ARG 42 42 30388 1 . THR 43 43 30388 1 . CYS 44 44 30388 1 . ARG 45 45 30388 1 . ILE 46 46 30388 1 . HIS 47 47 30388 1 . GLU 48 48 30388 1 . ILE 49 49 30388 1 . SER 50 50 30388 1 . CYS 51 51 30388 1 . GLY 52 52 30388 1 . ALA 53 53 30388 1 . HIS 54 54 30388 1 . SER 55 55 30388 1 . THR 56 56 30388 1 . GLN 57 57 30388 1 . CYS 58 58 30388 1 . ILE 59 59 30388 1 . PRO 60 60 30388 1 . VAL 61 61 30388 1 . SER 62 62 30388 1 . TRP 63 63 30388 1 . ARG 64 64 30388 1 . CYS 65 65 30388 1 . ASP 66 66 30388 1 . GLY 67 67 30388 1 . GLU 68 68 30388 1 . ASN 69 69 30388 1 . ASP 70 70 30388 1 . CYS 71 71 30388 1 . ASP 72 72 30388 1 . SER 73 73 30388 1 . GLY 74 74 30388 1 . GLU 75 75 30388 1 . ASP 76 76 30388 1 . GLU 77 77 30388 1 . GLU 78 78 30388 1 . ASN 79 79 30388 1 . CYS 80 80 30388 1 . GLY 81 81 30388 1 . ASN 82 82 30388 1 . ILE 83 83 30388 1 . THR 84 84 30388 1 . CYS 85 85 30388 1 . SER 86 86 30388 1 . PRO 87 87 30388 1 . ASP 88 88 30388 1 . GLU 89 89 30388 1 . PHE 90 90 30388 1 . THR 91 91 30388 1 . CYS 92 92 30388 1 . SER 93 93 30388 1 . SER 94 94 30388 1 . GLY 95 95 30388 1 . ARG 96 96 30388 1 . CYS 97 97 30388 1 . ILE 98 98 30388 1 . SER 99 99 30388 1 . ARG 100 100 30388 1 . ASN 101 101 30388 1 . PHE 102 102 30388 1 . VAL 103 103 30388 1 . CYS 104 104 30388 1 . ASN 105 105 30388 1 . GLY 106 106 30388 1 . GLN 107 107 30388 1 . ASP 108 108 30388 1 . ASP 109 109 30388 1 . CYS 110 110 30388 1 . SER 111 111 30388 1 . ASP 112 112 30388 1 . GLY 113 113 30388 1 . SER 114 114 30388 1 . ASP 115 115 30388 1 . GLU 116 116 30388 1 . LEU 117 117 30388 1 . ASP 118 118 30388 1 . CYS 119 119 30388 1 . ALA 120 120 30388 1 . PRO 121 121 30388 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 30388 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 30388 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 30388 2 CA 'Three letter code' 30388 2 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 1 CA $chem_comp_CA 30388 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30388 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . VLDLR . 30388 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 30388 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30388 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 30388 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 30388 CA InChI=1S/Ca/q+2 InChI InChI 1.03 30388 CA [Ca++] SMILES CACTVS 3.341 30388 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 30388 CA [Ca+2] SMILES ACDLabs 10.04 30388 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 30388 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30388 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 30388 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30388 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 30388 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30388 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '350 uM [U-99% 15N] VLDLR, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 VLDLR '[U-99% 15N]' . . 1 $entity_1 . . 350 . . uM . . . . 30388 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30388 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '250 uM [U-99% 13C; U-99% 15N] VLDLR, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 VLDLR '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 250 . . uM . . . . 30388 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30388 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '250 uM [U-99% 13C; U-99% 15N] VLDLR, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 VLDLR '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 250 . . uM . . . . 30388 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30388 _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' 100 . mM 30388 1 pH 6.2 . pH 30388 1 pressure 760 . mmHg 30388 1 temperature 306.5 . K 30388 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30388 _Sample_condition_list.ID 2 _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' 100 . mM 30388 2 pH 6.2 . pH 30388 2 pressure 760 . mmHg 30388 2 temperature 306.5 . K 30388 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30388 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30388 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30388 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30388 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30388 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30388 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30388 _Software.ID 3 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30388 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30388 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30388 _Software.ID 4 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30388 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30388 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30388 _Software.ID 5 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30388 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 30388 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30388 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30388 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30388 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 30388 1 2 NMR_spectrometer_2 Bruker Avance . 800 . . . 30388 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 30388 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30388 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30388 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30388 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30388 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30388 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30388 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30388 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30388 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30388 _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 0.000 internal indirect 0.25144953 . . . . . 30388 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30388 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30388 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30388 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30388 1 2 '3D HNCACB' . . . 30388 1 3 '3D CBCA(CO)NH' . . . 30388 1 4 '3D HNCA' . . . 30388 1 5 '3D HNCO' . . . 30388 1 6 '3D 1H-15N NOESY' . . . 30388 1 7 '3D 1H-13C NOESY' . . . 30388 1 8 '2D 1H-15N HSQC' . . . 30388 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 1 1 LYS C C 13 178.51 . . 1 . . . . A 1 LYS C . 30388 1 2 . 1 1 1 1 LYS CA C 13 59.47 . . 1 . . . . A 1 LYS CA . 30388 1 3 . 1 1 1 1 LYS CB C 13 33.10 . . 1 . . . . A 1 LYS CB . 30388 1 4 . 1 1 1 1 LYS CG C 13 24.47 . . 1 . . . . A 1 LYS CG . 30388 1 5 . 1 1 1 1 LYS CD C 13 28.95 . . 1 . . . . A 1 LYS CD . 30388 1 6 . 1 1 1 1 LYS CE C 13 41.37 . . 1 . . . . A 1 LYS CE . 30388 1 7 . 1 1 2 2 THR H H 1 8.23 . . 1 . . . . A 2 THR H . 30388 1 8 . 1 1 2 2 THR HA H 1 4.30 . . 1 . . . . A 2 THR HA . 30388 1 9 . 1 1 2 2 THR HB H 1 4.11 . . 1 . . . . A 2 THR HB . 30388 1 10 . 1 1 2 2 THR HG21 H 1 1.19 . . 1 . . . . A 2 THR HG21 . 30388 1 11 . 1 1 2 2 THR HG22 H 1 1.19 . . 1 . . . . A 2 THR HG22 . 30388 1 12 . 1 1 2 2 THR HG23 H 1 1.19 . . 1 . . . . A 2 THR HG23 . 30388 1 13 . 1 1 2 2 THR C C 13 173.30 . . 1 . . . . A 2 THR C . 30388 1 14 . 1 1 2 2 THR CA C 13 61.68 . . 1 . . . . A 2 THR CA . 30388 1 15 . 1 1 2 2 THR CB C 13 69.91 . . 1 . . . . A 2 THR CB . 30388 1 16 . 1 1 2 2 THR CG2 C 13 21.62 . . 1 . . . . A 2 THR CG2 . 30388 1 17 . 1 1 2 2 THR N N 15 116.97 . . 1 . . . . A 2 THR N . 30388 1 18 . 1 1 3 3 CYS H H 1 8.45 . . 1 . . . . A 3 CYS H . 30388 1 19 . 1 1 3 3 CYS HA H 1 4.72 . . 1 . . . . A 3 CYS HA . 30388 1 20 . 1 1 3 3 CYS HB2 H 1 3.37 . . . . . . . A 3 CYS HB2 . 30388 1 21 . 1 1 3 3 CYS HB3 H 1 2.71 . . . . . . . A 3 CYS HB3 . 30388 1 22 . 1 1 3 3 CYS C C 13 173.45 . . 1 . . . . A 3 CYS C . 30388 1 23 . 1 1 3 3 CYS CA C 13 54.32 . . 1 . . . . A 3 CYS CA . 30388 1 24 . 1 1 3 3 CYS CB C 13 40.17 . . 1 . . . . A 3 CYS CB . 30388 1 25 . 1 1 3 3 CYS N N 15 122.55 . . 1 . . . . A 3 CYS N . 30388 1 26 . 1 1 4 4 ALA H H 1 8.91 . . 1 . . . . A 4 ALA H . 30388 1 27 . 1 1 4 4 ALA HA H 1 4.40 . . 1 . . . . A 4 ALA HA . 30388 1 28 . 1 1 4 4 ALA HB1 H 1 1.35 . . 1 . . . . A 4 ALA HB1 . 30388 1 29 . 1 1 4 4 ALA HB2 H 1 1.35 . . 1 . . . . A 4 ALA HB2 . 30388 1 30 . 1 1 4 4 ALA HB3 H 1 1.35 . . 1 . . . . A 4 ALA HB3 . 30388 1 31 . 1 1 4 4 ALA C C 13 180.29 . . 1 . . . . A 4 ALA C . 30388 1 32 . 1 1 4 4 ALA CA C 13 51.29 . . 1 . . . . A 4 ALA CA . 30388 1 33 . 1 1 4 4 ALA CB C 13 20.11 . . 1 . . . . A 4 ALA CB . 30388 1 34 . 1 1 4 4 ALA N N 15 126.53 . . 1 . . . . A 4 ALA N . 30388 1 35 . 1 1 5 5 GLU H H 1 8.92 . . 1 . . . . A 5 GLU H . 30388 1 36 . 1 1 5 5 GLU HA H 1 3.98 . . 1 . . . . A 5 GLU HA . 30388 1 37 . 1 1 5 5 GLU HB2 H 1 2.01 . . . . . . . A 5 GLU HB2 . 30388 1 38 . 1 1 5 5 GLU HB3 H 1 2.01 . . . . . . . A 5 GLU HB3 . 30388 1 39 . 1 1 5 5 GLU HG2 H 1 2.30 . . . . . . . A 5 GLU HG2 . 30388 1 40 . 1 1 5 5 GLU HG3 H 1 2.30 . . . . . . . A 5 GLU HG3 . 30388 1 41 . 1 1 5 5 GLU C C 13 177.04 . . 1 . . . . A 5 GLU C . 30388 1 42 . 1 1 5 5 GLU CA C 13 59.30 . . 1 . . . . A 5 GLU CA . 30388 1 43 . 1 1 5 5 GLU CB C 13 29.15 . . 1 . . . . A 5 GLU CB . 30388 1 44 . 1 1 5 5 GLU CG C 13 36.26 . . 1 . . . . A 5 GLU CG . 30388 1 45 . 1 1 5 5 GLU N N 15 121.51 . . 1 . . . . A 5 GLU N . 30388 1 46 . 1 1 6 6 SER H H 1 7.53 . . 1 . . . . A 6 SER H . 30388 1 47 . 1 1 6 6 SER HA H 1 4.40 . . 1 . . . . A 6 SER HA . 30388 1 48 . 1 1 6 6 SER HB2 H 1 3.72 . . . . . . . A 6 SER HB2 . 30388 1 49 . 1 1 6 6 SER HB3 H 1 4.13 . . . . . . . A 6 SER HB3 . 30388 1 50 . 1 1 6 6 SER C C 13 173.09 . . 1 . . . . A 6 SER C . 30388 1 51 . 1 1 6 6 SER CA C 13 57.63 . . 1 . . . . A 6 SER CA . 30388 1 52 . 1 1 6 6 SER CB C 13 63.29 . . 1 . . . . A 6 SER CB . 30388 1 53 . 1 1 6 6 SER N N 15 108.68 . . 1 . . . . A 6 SER N . 30388 1 54 . 1 1 7 7 ASP H H 1 7.46 . . 1 . . . . A 7 ASP H . 30388 1 55 . 1 1 7 7 ASP HA H 1 4.83 . . 1 . . . . A 7 ASP HA . 30388 1 56 . 1 1 7 7 ASP HB2 H 1 2.72 . . . . . . . A 7 ASP HB2 . 30388 1 57 . 1 1 7 7 ASP HB3 H 1 2.50 . . . . . . . A 7 ASP HB3 . 30388 1 58 . 1 1 7 7 ASP C C 13 176.66 . . 1 . . . . A 7 ASP C . 30388 1 59 . 1 1 7 7 ASP CA C 13 54.82 . . 1 . . . . A 7 ASP CA . 30388 1 60 . 1 1 7 7 ASP CB C 13 41.33 . . 1 . . . . A 7 ASP CB . 30388 1 61 . 1 1 7 7 ASP N N 15 122.77 . . 1 . . . . A 7 ASP N . 30388 1 62 . 1 1 8 8 PHE H H 1 9.39 . . 1 . . . . A 8 PHE H . 30388 1 63 . 1 1 8 8 PHE HA H 1 4.52 . . 1 . . . . A 8 PHE HA . 30388 1 64 . 1 1 8 8 PHE HB2 H 1 2.71 . . . . . . . A 8 PHE HB2 . 30388 1 65 . 1 1 8 8 PHE HB3 H 1 2.87 . . . . . . . A 8 PHE HB3 . 30388 1 66 . 1 1 8 8 PHE C C 13 170.65 . . 1 . . . . A 8 PHE C . 30388 1 67 . 1 1 8 8 PHE CA C 13 57.35 . . 1 . . . . A 8 PHE CA . 30388 1 68 . 1 1 8 8 PHE CB C 13 40.13 . . 1 . . . . A 8 PHE CB . 30388 1 69 . 1 1 8 8 PHE N N 15 121.95 . . 1 . . . . A 8 PHE N . 30388 1 70 . 1 1 9 9 VAL H H 1 7.09 . . 1 . . . . A 9 VAL H . 30388 1 71 . 1 1 9 9 VAL HA H 1 4.09 . . 1 . . . . A 9 VAL HA . 30388 1 72 . 1 1 9 9 VAL HB H 1 1.60 . . 1 . . . . A 9 VAL HB . 30388 1 73 . 1 1 9 9 VAL HG11 H 1 0.73 . . . . . . . A 9 VAL HG11 . 30388 1 74 . 1 1 9 9 VAL HG12 H 1 0.73 . . . . . . . A 9 VAL HG12 . 30388 1 75 . 1 1 9 9 VAL HG13 H 1 0.73 . . . . . . . A 9 VAL HG13 . 30388 1 76 . 1 1 9 9 VAL HG21 H 1 0.76 . . . . . . . A 9 VAL HG21 . 30388 1 77 . 1 1 9 9 VAL HG22 H 1 0.76 . . . . . . . A 9 VAL HG22 . 30388 1 78 . 1 1 9 9 VAL HG23 H 1 0.76 . . . . . . . A 9 VAL HG23 . 30388 1 79 . 1 1 9 9 VAL CA C 13 61.05 . . 1 . . . . A 9 VAL CA . 30388 1 80 . 1 1 9 9 VAL CB C 13 30.75 . . 1 . . . . A 9 VAL CB . 30388 1 81 . 1 1 9 9 VAL CG1 C 13 20.8 . . . . . . . A 9 VAL CG1 . 30388 1 82 . 1 1 9 9 VAL CG2 C 13 21.3 . . . . . . . A 9 VAL CG2 . 30388 1 83 . 1 1 9 9 VAL N N 15 127.90 . . 1 . . . . A 9 VAL N . 30388 1 84 . 1 1 10 10 CYS H H 1 7.92 . . 1 . . . . A 10 CYS H . 30388 1 85 . 1 1 10 10 CYS HA H 1 4.28 . . 1 . . . . A 10 CYS HA . 30388 1 86 . 1 1 10 10 CYS HB2 H 1 3.12 . . . . . . . A 10 CYS HB2 . 30388 1 87 . 1 1 10 10 CYS HB3 H 1 3.45 . . . . . . . A 10 CYS HB3 . 30388 1 88 . 1 1 10 10 CYS C C 13 175.56 . . 1 . . . . A 10 CYS C . 30388 1 89 . 1 1 10 10 CYS CA C 13 55.36 . . 1 . . . . A 10 CYS CA . 30388 1 90 . 1 1 10 10 CYS CB C 13 41.83 . . 1 . . . . A 10 CYS CB . 30388 1 91 . 1 1 10 10 CYS N N 15 126.59 . . 1 . . . . A 10 CYS N . 30388 1 92 . 1 1 11 11 ASN H H 1 9.20 . . 1 . . . . A 11 ASN H . 30388 1 93 . 1 1 11 11 ASN HA H 1 4.27 . . 1 . . . . A 11 ASN HA . 30388 1 94 . 1 1 11 11 ASN HB2 H 1 3.07 . . . . . . . A 11 ASN HB2 . 30388 1 95 . 1 1 11 11 ASN HB3 H 1 2.79 . . . . . . . A 11 ASN HB3 . 30388 1 96 . 1 1 11 11 ASN HD21 H 1 7.02 . . . . . . . A 11 ASN HD21 . 30388 1 97 . 1 1 11 11 ASN HD22 H 1 7.76 . . . . . . . A 11 ASN HD22 . 30388 1 98 . 1 1 11 11 ASN C C 13 176.04 . . 1 . . . . A 11 ASN C . 30388 1 99 . 1 1 11 11 ASN CA C 13 56.60 . . 1 . . . . A 11 ASN CA . 30388 1 100 . 1 1 11 11 ASN CB C 13 36.93 . . 1 . . . . A 11 ASN CB . 30388 1 101 . 1 1 11 11 ASN N N 15 125.17 . . 1 . . . . A 11 ASN N . 30388 1 102 . 1 1 11 11 ASN ND2 N 15 111.70 . . 1 . . . . A 11 ASN ND2 . 30388 1 103 . 1 1 12 12 ASN H H 1 8.00 . . 1 . . . . A 12 ASN H . 30388 1 104 . 1 1 12 12 ASN HA H 1 4.52 . . 1 . . . . A 12 ASN HA . 30388 1 105 . 1 1 12 12 ASN HB2 H 1 3.26 . . . . . . . A 12 ASN HB2 . 30388 1 106 . 1 1 12 12 ASN HB3 H 1 2.82 . . . . . . . A 12 ASN HB3 . 30388 1 107 . 1 1 12 12 ASN HD21 H 1 6.80 . . . . . . . A 12 ASN HD21 . 30388 1 108 . 1 1 12 12 ASN HD22 H 1 7.76 . . . . . . . A 12 ASN HD22 . 30388 1 109 . 1 1 12 12 ASN C C 13 176.70 . . 1 . . . . A 12 ASN C . 30388 1 110 . 1 1 12 12 ASN CA C 13 52.38 . . 1 . . . . A 12 ASN CA . 30388 1 111 . 1 1 12 12 ASN CB C 13 37.20 . . 1 . . . . A 12 ASN CB . 30388 1 112 . 1 1 12 12 ASN N N 15 115.30 . . 1 . . . . A 12 ASN N . 30388 1 113 . 1 1 12 12 ASN ND2 N 15 109.31 . . 1 . . . . A 12 ASN ND2 . 30388 1 114 . 1 1 13 13 GLY H H 1 8.20 . . 1 . . . . A 13 GLY H . 30388 1 115 . 1 1 13 13 GLY HA2 H 1 3.27 . . . . . . . A 13 GLY HA2 . 30388 1 116 . 1 1 13 13 GLY HA3 H 1 4.27 . . . . . . . A 13 GLY HA3 . 30388 1 117 . 1 1 13 13 GLY C C 13 172.71 . . 1 . . . . A 13 GLY C . 30388 1 118 . 1 1 13 13 GLY CA C 13 44.97 . . 1 . . . . A 13 GLY CA . 30388 1 119 . 1 1 13 13 GLY N N 15 108.98 . . 1 . . . . A 13 GLY N . 30388 1 120 . 1 1 14 14 GLN H H 1 7.16 . . 1 . . . . A 14 GLN H . 30388 1 121 . 1 1 14 14 GLN HA H 1 4.09 . . 1 . . . . A 14 GLN HA . 30388 1 122 . 1 1 14 14 GLN HB2 H 1 2.04 . . . . . . . A 14 GLN HB2 . 30388 1 123 . 1 1 14 14 GLN HB3 H 1 2.04 . . . . . . . A 14 GLN HB3 . 30388 1 124 . 1 1 14 14 GLN HG2 H 1 2.33 . . . . . . . A 14 GLN HG2 . 30388 1 125 . 1 1 14 14 GLN HG3 H 1 2.57 . . . . . . . A 14 GLN HG3 . 30388 1 126 . 1 1 14 14 GLN HE21 H 1 7.75 . . . . . . . A 14 GLN HE21 . 30388 1 127 . 1 1 14 14 GLN HE22 H 1 7.11 . . . . . . . A 14 GLN HE22 . 30388 1 128 . 1 1 14 14 GLN C C 13 171.74 . . 1 . . . . A 14 GLN C . 30388 1 129 . 1 1 14 14 GLN CA C 13 56.36 . . 1 . . . . A 14 GLN CA . 30388 1 130 . 1 1 14 14 GLN CB C 13 29.01 . . 1 . . . . A 14 GLN CB . 30388 1 131 . 1 1 14 14 GLN CG C 13 33.08 . . 1 . . . . A 14 GLN CG . 30388 1 132 . 1 1 14 14 GLN N N 15 120.65 . . 1 . . . . A 14 GLN N . 30388 1 133 . 1 1 14 14 GLN NE2 N 15 112.10 . . 1 . . . . A 14 GLN NE2 . 30388 1 134 . 1 1 15 15 CYS H H 1 8.52 . . 1 . . . . A 15 CYS H . 30388 1 135 . 1 1 15 15 CYS HA H 1 5.33 . . 1 . . . . A 15 CYS HA . 30388 1 136 . 1 1 15 15 CYS HB2 H 1 3.38 . . . . . . . A 15 CYS HB2 . 30388 1 137 . 1 1 15 15 CYS HB3 H 1 2.80 . . . . . . . A 15 CYS HB3 . 30388 1 138 . 1 1 15 15 CYS C C 13 174.42 . . 1 . . . . A 15 CYS C . 30388 1 139 . 1 1 15 15 CYS CA C 13 53.79 . . 1 . . . . A 15 CYS CA . 30388 1 140 . 1 1 15 15 CYS CB C 13 43.20 . . 1 . . . . A 15 CYS CB . 30388 1 141 . 1 1 15 15 CYS N N 15 123.06 . . 1 . . . . A 15 CYS N . 30388 1 142 . 1 1 16 16 VAL H H 1 8.98 . . 1 . . . . A 16 VAL H . 30388 1 143 . 1 1 16 16 VAL HA H 1 4.81 . . 1 . . . . A 16 VAL HA . 30388 1 144 . 1 1 16 16 VAL HB H 1 2.25 . . 1 . . . . A 16 VAL HB . 30388 1 145 . 1 1 16 16 VAL HG11 H 1 1.01 . . . . . . . A 16 VAL HG11 . 30388 1 146 . 1 1 16 16 VAL HG12 H 1 1.01 . . . . . . . A 16 VAL HG12 . 30388 1 147 . 1 1 16 16 VAL HG13 H 1 1.01 . . . . . . . A 16 VAL HG13 . 30388 1 148 . 1 1 16 16 VAL HG21 H 1 1.00 . . . . . . . A 16 VAL HG21 . 30388 1 149 . 1 1 16 16 VAL HG22 H 1 1.00 . . . . . . . A 16 VAL HG22 . 30388 1 150 . 1 1 16 16 VAL HG23 H 1 1.00 . . . . . . . A 16 VAL HG23 . 30388 1 151 . 1 1 16 16 VAL CA C 13 57.93 . . 1 . . . . A 16 VAL CA . 30388 1 152 . 1 1 16 16 VAL CB C 13 34.73 . . 1 . . . . A 16 VAL CB . 30388 1 153 . 1 1 16 16 VAL CG1 C 13 19.65 . . . . . . . A 16 VAL CG1 . 30388 1 154 . 1 1 16 16 VAL CG2 C 13 21.96 . . . . . . . A 16 VAL CG2 . 30388 1 155 . 1 1 16 16 VAL N N 15 118.81 . . 1 . . . . A 16 VAL N . 30388 1 156 . 1 1 17 17 PRO HA H 1 4.27 . . 1 . . . . A 17 PRO HA . 30388 1 157 . 1 1 17 17 PRO HB2 H 1 0.70 . . . . . . . A 17 PRO HB2 . 30388 1 158 . 1 1 17 17 PRO HB3 H 1 1.77 . . . . . . . A 17 PRO HB3 . 30388 1 159 . 1 1 17 17 PRO HG2 H 1 0.68 . . . . . . . A 17 PRO HG2 . 30388 1 160 . 1 1 17 17 PRO HG3 H 1 1.25 . . . . . . . A 17 PRO HG3 . 30388 1 161 . 1 1 17 17 PRO HD2 H 1 2.49 . . . . . . . A 17 PRO HD2 . 30388 1 162 . 1 1 17 17 PRO HD3 H 1 3.25 . . . . . . . A 17 PRO HD3 . 30388 1 163 . 1 1 17 17 PRO C C 13 178.41 . . 1 . . . . A 17 PRO C . 30388 1 164 . 1 1 17 17 PRO CA C 13 63.40 . . 1 . . . . A 17 PRO CA . 30388 1 165 . 1 1 17 17 PRO CB C 13 31.65 . . 1 . . . . A 17 PRO CB . 30388 1 166 . 1 1 17 17 PRO CG C 13 27.18 . . 1 . . . . A 17 PRO CG . 30388 1 167 . 1 1 17 17 PRO CD C 13 49.98 . . 1 . . . . A 17 PRO CD . 30388 1 168 . 1 1 18 18 SER H H 1 8.87 . . 1 . . . . A 18 SER H . 30388 1 169 . 1 1 18 18 SER HA H 1 3.95 . . 1 . . . . A 18 SER HA . 30388 1 170 . 1 1 18 18 SER HB2 H 1 3.96 . . . . . . . A 18 SER HB2 . 30388 1 171 . 1 1 18 18 SER HB3 H 1 3.95 . . . . . . . A 18 SER HB3 . 30388 1 172 . 1 1 18 18 SER C C 13 178.24 . . 1 . . . . A 18 SER C . 30388 1 173 . 1 1 18 18 SER CA C 13 62.22 . . 1 . . . . A 18 SER CA . 30388 1 174 . 1 1 18 18 SER CB C 13 62.43 . . 1 . . . . A 18 SER CB . 30388 1 175 . 1 1 18 18 SER N N 15 119.96 . . 1 . . . . A 18 SER N . 30388 1 176 . 1 1 19 19 ARG H H 1 8.03 . . 1 . . . . A 19 ARG H . 30388 1 177 . 1 1 19 19 ARG HA H 1 4.22 . . 1 . . . . A 19 ARG HA . 30388 1 178 . 1 1 19 19 ARG HB2 H 1 1.77 . . . . . . . A 19 ARG HB2 . 30388 1 179 . 1 1 19 19 ARG HB3 H 1 1.78 . . . . . . . A 19 ARG HB3 . 30388 1 180 . 1 1 19 19 ARG HG2 H 1 1.35 . . . . . . . A 19 ARG HG2 . 30388 1 181 . 1 1 19 19 ARG HG3 H 1 1.39 . . . . . . . A 19 ARG HG3 . 30388 1 182 . 1 1 19 19 ARG HD2 H 1 3.04 . . . . . . . A 19 ARG HD2 . 30388 1 183 . 1 1 19 19 ARG HD3 H 1 3.04 . . . . . . . A 19 ARG HD3 . 30388 1 184 . 1 1 19 19 ARG HH11 H 1 6.69 . . . . . . . A 19 ARG HH11 . 30388 1 185 . 1 1 19 19 ARG HH12 H 1 6.59 . . . . . . . A 19 ARG HH12 . 30388 1 186 . 1 1 19 19 ARG C C 13 175.94 . . 1 . . . . A 19 ARG C . 30388 1 187 . 1 1 19 19 ARG CA C 13 57.52 . . 1 . . . . A 19 ARG CA . 30388 1 188 . 1 1 19 19 ARG CB C 13 29.41 . . 1 . . . . A 19 ARG CB . 30388 1 189 . 1 1 19 19 ARG CG C 13 26.89 . . 1 . . . . A 19 ARG CG . 30388 1 190 . 1 1 19 19 ARG CD C 13 43.15 . . 1 . . . . A 19 ARG CD . 30388 1 191 . 1 1 19 19 ARG N N 15 119.17 . . 1 . . . . A 19 ARG N . 30388 1 192 . 1 1 20 20 TRP H H 1 7.90 . . 1 . . . . A 20 TRP H . 30388 1 193 . 1 1 20 20 TRP HA H 1 5.15 . . 1 . . . . A 20 TRP HA . 30388 1 194 . 1 1 20 20 TRP HB2 H 1 3.04 . . . . . . . A 20 TRP HB2 . 30388 1 195 . 1 1 20 20 TRP HB3 H 1 3.91 . . . . . . . A 20 TRP HB3 . 30388 1 196 . 1 1 20 20 TRP HE1 H 1 9.94 . . 1 . . . . A 20 TRP HE1 . 30388 1 197 . 1 1 20 20 TRP C C 13 173.94 . . 1 . . . . A 20 TRP C . 30388 1 198 . 1 1 20 20 TRP CA C 13 54.8 . . 1 . . . . A 20 TRP CA . 30388 1 199 . 1 1 20 20 TRP CB C 13 28.05 . . 1 . . . . A 20 TRP CB . 30388 1 200 . 1 1 20 20 TRP N N 15 118.49 . . 1 . . . . A 20 TRP N . 30388 1 201 . 1 1 20 20 TRP NE1 N 15 126.44 . . 1 . . . . A 20 TRP NE1 . 30388 1 202 . 1 1 21 21 LYS H H 1 7.94 . . 1 . . . . A 21 LYS H . 30388 1 203 . 1 1 21 21 LYS HA H 1 3.92 . . 1 . . . . A 21 LYS HA . 30388 1 204 . 1 1 21 21 LYS HB2 H 1 1.76 . . . . . . . A 21 LYS HB2 . 30388 1 205 . 1 1 21 21 LYS HB3 H 1 1.36 . . . . . . . A 21 LYS HB3 . 30388 1 206 . 1 1 21 21 LYS HG2 H 1 1.16 . . . . . . . A 21 LYS HG2 . 30388 1 207 . 1 1 21 21 LYS HG3 H 1 0.69 . . . . . . . A 21 LYS HG3 . 30388 1 208 . 1 1 21 21 LYS HD2 H 1 1.37 . . . . . . . A 21 LYS HD2 . 30388 1 209 . 1 1 21 21 LYS HD3 H 1 1.48 . . . . . . . A 21 LYS HD3 . 30388 1 210 . 1 1 21 21 LYS HE2 H 1 2.60 . . . . . . . A 21 LYS HE2 . 30388 1 211 . 1 1 21 21 LYS HE3 H 1 2.78 . . . . . . . A 21 LYS HE3 . 30388 1 212 . 1 1 21 21 LYS HZ1 H 1 7.93 . . 1 . . . . A 21 LYS HZ1 . 30388 1 213 . 1 1 21 21 LYS HZ2 H 1 7.93 . . 1 . . . . A 21 LYS HZ2 . 30388 1 214 . 1 1 21 21 LYS HZ3 H 1 7.93 . . 1 . . . . A 21 LYS HZ3 . 30388 1 215 . 1 1 21 21 LYS C C 13 173.47 . . 1 . . . . A 21 LYS C . 30388 1 216 . 1 1 21 21 LYS CA C 13 57.40 . . 1 . . . . A 21 LYS CA . 30388 1 217 . 1 1 21 21 LYS CB C 13 32.82 . . 1 . . . . A 21 LYS CB . 30388 1 218 . 1 1 21 21 LYS CG C 13 24.59 . . 1 . . . . A 21 LYS CG . 30388 1 219 . 1 1 21 21 LYS CD C 13 29.7 . . 1 . . . . A 21 LYS CD . 30388 1 220 . 1 1 21 21 LYS CE C 13 41.58 . . 1 . . . . A 21 LYS CE . 30388 1 221 . 1 1 21 21 LYS N N 15 125.58 . . 1 . . . . A 21 LYS N . 30388 1 222 . 1 1 22 22 CYS H H 1 8.80 . . 1 . . . . A 22 CYS H . 30388 1 223 . 1 1 22 22 CYS HA H 1 4.67 . . 1 . . . . A 22 CYS HA . 30388 1 224 . 1 1 22 22 CYS HB2 H 1 3.22 . . . . . . . A 22 CYS HB2 . 30388 1 225 . 1 1 22 22 CYS HB3 H 1 2.93 . . . . . . . A 22 CYS HB3 . 30388 1 226 . 1 1 22 22 CYS C C 13 174.41 . . 1 . . . . A 22 CYS C . 30388 1 227 . 1 1 22 22 CYS CA C 13 55.40 . . 1 . . . . A 22 CYS CA . 30388 1 228 . 1 1 22 22 CYS CB C 13 36.02 . . 1 . . . . A 22 CYS CB . 30388 1 229 . 1 1 22 22 CYS N N 15 123.82 . . 1 . . . . A 22 CYS N . 30388 1 230 . 1 1 23 23 ASP H H 1 9.73 . . 1 . . . . A 23 ASP H . 30388 1 231 . 1 1 23 23 ASP HA H 1 4.71 . . 1 . . . . A 23 ASP HA . 30388 1 232 . 1 1 23 23 ASP HB2 H 1 3.11 . . . . . . . A 23 ASP HB2 . 30388 1 233 . 1 1 23 23 ASP HB3 H 1 2.43 . . . . . . . A 23 ASP HB3 . 30388 1 234 . 1 1 23 23 ASP C C 13 177.96 . . 1 . . . . A 23 ASP C . 30388 1 235 . 1 1 23 23 ASP CA C 13 52.25 . . 1 . . . . A 23 ASP CA . 30388 1 236 . 1 1 23 23 ASP CB C 13 41.52 . . 1 . . . . A 23 ASP CB . 30388 1 237 . 1 1 23 23 ASP N N 15 121.70 . . 1 . . . . A 23 ASP N . 30388 1 238 . 1 1 24 24 GLY H H 1 9.31 . . 1 . . . . A 24 GLY H . 30388 1 239 . 1 1 24 24 GLY HA2 H 1 4.22 . . . . . . . A 24 GLY HA2 . 30388 1 240 . 1 1 24 24 GLY HA3 H 1 3.37 . . . . . . . A 24 GLY HA3 . 30388 1 241 . 1 1 24 24 GLY C C 13 171.51 . . 1 . . . . A 24 GLY C . 30388 1 242 . 1 1 24 24 GLY CA C 13 45.57 . . 1 . . . . A 24 GLY CA . 30388 1 243 . 1 1 24 24 GLY N N 15 111.23 . . 1 . . . . A 24 GLY N . 30388 1 244 . 1 1 25 25 ASP H H 1 7.30 . . 1 . . . . A 25 ASP H . 30388 1 245 . 1 1 25 25 ASP HA H 1 5.16 . . 1 . . . . A 25 ASP HA . 30388 1 246 . 1 1 25 25 ASP HB2 H 1 2.30 . . . . . . . A 25 ASP HB2 . 30388 1 247 . 1 1 25 25 ASP HB3 H 1 2.42 . . . . . . . A 25 ASP HB3 . 30388 1 248 . 1 1 25 25 ASP CA C 13 50.57 . . 1 . . . . A 25 ASP CA . 30388 1 249 . 1 1 25 25 ASP CB C 13 42.49 . . 1 . . . . A 25 ASP CB . 30388 1 250 . 1 1 25 25 ASP N N 15 119.11 . . 1 . . . . A 25 ASP N . 30388 1 251 . 1 1 26 26 PRO HA H 1 4.63 . . 1 . . . . A 26 PRO HA . 30388 1 252 . 1 1 26 26 PRO HB2 H 1 1.96 . . . . . . . A 26 PRO HB2 . 30388 1 253 . 1 1 26 26 PRO HB3 H 1 2.21 . . . . . . . A 26 PRO HB3 . 30388 1 254 . 1 1 26 26 PRO HD2 H 1 3.77 . . . . . . . A 26 PRO HD2 . 30388 1 255 . 1 1 26 26 PRO HD3 H 1 3.79 . . . . . . . A 26 PRO HD3 . 30388 1 256 . 1 1 26 26 PRO C C 13 172.81 . . 1 . . . . A 26 PRO C . 30388 1 257 . 1 1 26 26 PRO CA C 13 62.79 . . 1 . . . . A 26 PRO CA . 30388 1 258 . 1 1 26 26 PRO CB C 13 30.36 . . 1 . . . . A 26 PRO CB . 30388 1 259 . 1 1 26 26 PRO CD C 13 50.22 . . 1 . . . . A 26 PRO CD . 30388 1 260 . 1 1 27 27 ASP H H 1 10.42 . . 1 . . . . A 27 ASP H . 30388 1 261 . 1 1 27 27 ASP HA H 1 4.61 . . 1 . . . . A 27 ASP HA . 30388 1 262 . 1 1 27 27 ASP HB2 H 1 2.84 . . . . . . . A 27 ASP HB2 . 30388 1 263 . 1 1 27 27 ASP HB3 H 1 2.57 . . . . . . . A 27 ASP HB3 . 30388 1 264 . 1 1 27 27 ASP C C 13 178.80 . . 1 . . . . A 27 ASP C . 30388 1 265 . 1 1 27 27 ASP CA C 13 56.29 . . 1 . . . . A 27 ASP CA . 30388 1 266 . 1 1 27 27 ASP CB C 13 44.14 . . 1 . . . . A 27 ASP CB . 30388 1 267 . 1 1 27 27 ASP N N 15 105.32 . . 1 . . . . A 27 ASP N . 30388 1 268 . 1 1 28 28 CYS H H 1 8.43 . . 1 . . . . A 28 CYS H . 30388 1 269 . 1 1 28 28 CYS HA H 1 4.46 . . 1 . . . . A 28 CYS HA . 30388 1 270 . 1 1 28 28 CYS HB2 H 1 3.96 . . . . . . . A 28 CYS HB2 . 30388 1 271 . 1 1 28 28 CYS HB3 H 1 3.06 . . . . . . . A 28 CYS HB3 . 30388 1 272 . 1 1 28 28 CYS C C 13 178.44 . . 1 . . . . A 28 CYS C . 30388 1 273 . 1 1 28 28 CYS CA C 13 55.17 . . 1 . . . . A 28 CYS CA . 30388 1 274 . 1 1 28 28 CYS CB C 13 41.91 . . 1 . . . . A 28 CYS CB . 30388 1 275 . 1 1 28 28 CYS N N 15 119.34 . . 1 . . . . A 28 CYS N . 30388 1 276 . 1 1 29 29 GLU H H 1 9.67 . . 1 . . . . A 29 GLU H . 30388 1 277 . 1 1 29 29 GLU HA H 1 3.96 . . 1 . . . . A 29 GLU HA . 30388 1 278 . 1 1 29 29 GLU HB2 H 1 2.04 . . . . . . . A 29 GLU HB2 . 30388 1 279 . 1 1 29 29 GLU CA C 13 59.58 . . 1 . . . . A 29 GLU CA . 30388 1 280 . 1 1 29 29 GLU N N 15 128.88 . . 1 . . . . A 29 GLU N . 30388 1 281 . 1 1 30 30 ASP HA H 1 4.47 . . 1 . . . . A 30 ASP HA . 30388 1 282 . 1 1 30 30 ASP HB2 H 1 3.16 . . . . . . . A 30 ASP HB2 . 30388 1 283 . 1 1 30 30 ASP HB3 H 1 2.54 . . . . . . . A 30 ASP HB3 . 30388 1 284 . 1 1 30 30 ASP C C 13 179.03 . . 1 . . . . A 30 ASP C . 30388 1 285 . 1 1 30 30 ASP CA C 13 52.92 . . 1 . . . . A 30 ASP CA . 30388 1 286 . 1 1 30 30 ASP CB C 13 40.66 . . 1 . . . . A 30 ASP CB . 30388 1 287 . 1 1 31 31 GLY H H 1 8.09 . . 1 . . . . A 31 GLY H . 30388 1 288 . 1 1 31 31 GLY HA2 H 1 4.13 . . . . . . . A 31 GLY HA2 . 30388 1 289 . 1 1 31 31 GLY HA3 H 1 3.64 . . . . . . . A 31 GLY HA3 . 30388 1 290 . 1 1 31 31 GLY C C 13 174.38 . . 1 . . . . A 31 GLY C . 30388 1 291 . 1 1 31 31 GLY CA C 13 46.00 . . 1 . . . . A 31 GLY CA . 30388 1 292 . 1 1 31 31 GLY N N 15 107.12 . . 1 . . . . A 31 GLY N . 30388 1 293 . 1 1 32 32 SER H H 1 9.00 . . 1 . . . . A 32 SER H . 30388 1 294 . 1 1 32 32 SER HA H 1 3.95 . . 1 . . . . A 32 SER HA . 30388 1 295 . 1 1 32 32 SER HB2 H 1 3.96 . . . . . . . A 32 SER HB2 . 30388 1 296 . 1 1 32 32 SER HB3 H 1 4.14 . . . . . . . A 32 SER HB3 . 30388 1 297 . 1 1 32 32 SER C C 13 174.60 . . 1 . . . . A 32 SER C . 30388 1 298 . 1 1 32 32 SER CA C 13 63.5 . . 1 . . . . A 32 SER CA . 30388 1 299 . 1 1 32 32 SER CB C 13 63.1 . . 1 . . . . A 32 SER CB . 30388 1 300 . 1 1 32 32 SER N N 15 117.21 . . 1 . . . . A 32 SER N . 30388 1 301 . 1 1 33 33 ASP H H 1 9.60 . . 1 . . . . A 33 ASP H . 30388 1 302 . 1 1 33 33 ASP HA H 1 3.92 . . 1 . . . . A 33 ASP HA . 30388 1 303 . 1 1 33 33 ASP HB2 H 1 2.42 . . . . . . . A 33 ASP HB2 . 30388 1 304 . 1 1 33 33 ASP HB3 H 1 2.84 . . . . . . . A 33 ASP HB3 . 30388 1 305 . 1 1 33 33 ASP C C 13 172.52 . . 1 . . . . A 33 ASP C . 30388 1 306 . 1 1 33 33 ASP CA C 13 54.99 . . 1 . . . . A 33 ASP CA . 30388 1 307 . 1 1 33 33 ASP CB C 13 39.10 . . 1 . . . . A 33 ASP CB . 30388 1 308 . 1 1 33 33 ASP N N 15 116.88 . . 1 . . . . A 33 ASP N . 30388 1 309 . 1 1 34 34 GLU H H 1 7.42 . . 1 . . . . A 34 GLU H . 30388 1 310 . 1 1 34 34 GLU HA H 1 4.83 . . 1 . . . . A 34 GLU HA . 30388 1 311 . 1 1 34 34 GLU HB2 H 1 1.37 . . . . . . . A 34 GLU HB2 . 30388 1 312 . 1 1 34 34 GLU HB3 H 1 2.43 . . . . . . . A 34 GLU HB3 . 30388 1 313 . 1 1 34 34 GLU HG2 H 1 1.66 . . . . . . . A 34 GLU HG2 . 30388 1 314 . 1 1 34 34 GLU HG3 H 1 1.95 . . . . . . . A 34 GLU HG3 . 30388 1 315 . 1 1 34 34 GLU C C 13 176.20 . . 1 . . . . A 34 GLU C . 30388 1 316 . 1 1 34 34 GLU CA C 13 53.48 . . 1 . . . . A 34 GLU CA . 30388 1 317 . 1 1 34 34 GLU CB C 13 30.17 . . 1 . . . . A 34 GLU CB . 30388 1 318 . 1 1 34 34 GLU CG C 13 35.57 . . 1 . . . . A 34 GLU CG . 30388 1 319 . 1 1 34 34 GLU N N 15 114.98 . . 1 . . . . A 34 GLU N . 30388 1 320 . 1 1 35 35 SER H H 1 7.04 . . 1 . . . . A 35 SER H . 30388 1 321 . 1 1 35 35 SER HA H 1 4.56 . . 1 . . . . A 35 SER HA . 30388 1 322 . 1 1 35 35 SER HB2 H 1 4.19 . . . . . . . A 35 SER HB2 . 30388 1 323 . 1 1 35 35 SER HB3 H 1 3.95 . . . . . . . A 35 SER HB3 . 30388 1 324 . 1 1 35 35 SER CA C 13 56.48 . . 1 . . . . A 35 SER CA . 30388 1 325 . 1 1 35 35 SER CB C 13 63.45 . . 1 . . . . A 35 SER CB . 30388 1 326 . 1 1 35 35 SER N N 15 116.93 . . 1 . . . . A 35 SER N . 30388 1 327 . 1 1 36 36 PRO HA H 1 4.18 . . 1 . . . . A 36 PRO HA . 30388 1 328 . 1 1 36 36 PRO HB2 H 1 2.28 . . . . . . . A 36 PRO HB2 . 30388 1 329 . 1 1 36 36 PRO HB3 H 1 1.87 . . . . . . . A 36 PRO HB3 . 30388 1 330 . 1 1 36 36 PRO HG2 H 1 1.98 . . . . . . . A 36 PRO HG2 . 30388 1 331 . 1 1 36 36 PRO HG3 H 1 2.11 . . . . . . . A 36 PRO HG3 . 30388 1 332 . 1 1 36 36 PRO HD2 H 1 3.97 . . . . . . . A 36 PRO HD2 . 30388 1 333 . 1 1 36 36 PRO HD3 H 1 3.75 . . . . . . . A 36 PRO HD3 . 30388 1 334 . 1 1 36 36 PRO C C 13 179.26 . . 1 . . . . A 36 PRO C . 30388 1 335 . 1 1 36 36 PRO CA C 13 65.26 . . 1 . . . . A 36 PRO CA . 30388 1 336 . 1 1 36 36 PRO CB C 13 31.78 . . 1 . . . . A 36 PRO CB . 30388 1 337 . 1 1 36 36 PRO CG C 13 27.63 . . 1 . . . . A 36 PRO CG . 30388 1 338 . 1 1 36 36 PRO CD C 13 50.69 . . 1 . . . . A 36 PRO CD . 30388 1 339 . 1 1 37 37 GLU H H 1 8.58 . . 1 . . . . A 37 GLU H . 30388 1 340 . 1 1 37 37 GLU HA H 1 4.05 . . 1 . . . . A 37 GLU HA . 30388 1 341 . 1 1 37 37 GLU HB2 H 1 1.99 . . . . . . . A 37 GLU HB2 . 30388 1 342 . 1 1 37 37 GLU HB3 H 1 1.97 . . . . . . . A 37 GLU HB3 . 30388 1 343 . 1 1 37 37 GLU HG2 H 1 2.39 . . . . . . . A 37 GLU HG2 . 30388 1 344 . 1 1 37 37 GLU HG3 H 1 2.39 . . . . . . . A 37 GLU HG3 . 30388 1 345 . 1 1 37 37 GLU C C 13 178.39 . . 1 . . . . A 37 GLU C . 30388 1 346 . 1 1 37 37 GLU CA C 13 59.36 . . 1 . . . . A 37 GLU CA . 30388 1 347 . 1 1 37 37 GLU CB C 13 29.08 . . 1 . . . . A 37 GLU CB . 30388 1 348 . 1 1 37 37 GLU CG C 13 36.86 . . 1 . . . . A 37 GLU CG . 30388 1 349 . 1 1 37 37 GLU N N 15 115.80 . . 1 . . . . A 37 GLU N . 30388 1 350 . 1 1 38 38 GLN H H 1 7.39 . . 1 . . . . A 38 GLN H . 30388 1 351 . 1 1 38 38 GLN HA H 1 4.31 . . 1 . . . . A 38 GLN HA . 30388 1 352 . 1 1 38 38 GLN HB2 H 1 2.01 . . . . . . . A 38 GLN HB2 . 30388 1 353 . 1 1 38 38 GLN HB3 H 1 2.01 . . . . . . . A 38 GLN HB3 . 30388 1 354 . 1 1 38 38 GLN HG2 H 1 2.51 . . . . . . . A 38 GLN HG2 . 30388 1 355 . 1 1 38 38 GLN HG3 H 1 2.41 . . . . . . . A 38 GLN HG3 . 30388 1 356 . 1 1 38 38 GLN HE21 H 1 7.72 . . . . . . . A 38 GLN HE21 . 30388 1 357 . 1 1 38 38 GLN HE22 H 1 6.96 . . . . . . . A 38 GLN HE22 . 30388 1 358 . 1 1 38 38 GLN C C 13 177.95 . . 1 . . . . A 38 GLN C . 30388 1 359 . 1 1 38 38 GLN CA C 13 56.19 . . 1 . . . . A 38 GLN CA . 30388 1 360 . 1 1 38 38 GLN CB C 13 29.88 . . 1 . . . . A 38 GLN CB . 30388 1 361 . 1 1 38 38 GLN CG C 13 33.45 . . 1 . . . . A 38 GLN CG . 30388 1 362 . 1 1 38 38 GLN N N 15 115.07 . . 1 . . . . A 38 GLN N . 30388 1 363 . 1 1 38 38 GLN NE2 N 15 112.14 . . 1 . . . . A 38 GLN NE2 . 30388 1 364 . 1 1 39 39 CYS H H 1 7.84 . . 1 . . . . A 39 CYS H . 30388 1 365 . 1 1 39 39 CYS HA H 1 4.85 . . 1 . . . . A 39 CYS HA . 30388 1 366 . 1 1 39 39 CYS HB2 H 1 3.10 . . . . . . . A 39 CYS HB2 . 30388 1 367 . 1 1 39 39 CYS HB3 H 1 2.40 . . . . . . . A 39 CYS HB3 . 30388 1 368 . 1 1 39 39 CYS C C 13 174.56 . . 1 . . . . A 39 CYS C . 30388 1 369 . 1 1 39 39 CYS CA C 13 53.60 . . 1 . . . . A 39 CYS CA . 30388 1 370 . 1 1 39 39 CYS CB C 13 39.03 . . 1 . . . . A 39 CYS CB . 30388 1 371 . 1 1 39 39 CYS N N 15 115.49 . . 1 . . . . A 39 CYS N . 30388 1 372 . 1 1 40 40 HIS H H 1 8.28 . . 1 . . . . A 40 HIS H . 30388 1 373 . 1 1 40 40 HIS HA H 1 4.63 . . 1 . . . . A 40 HIS HA . 30388 1 374 . 1 1 40 40 HIS HB2 H 1 3.17 . . . . . . . A 40 HIS HB2 . 30388 1 375 . 1 1 40 40 HIS HB3 H 1 3.17 . . . . . . . A 40 HIS HB3 . 30388 1 376 . 1 1 40 40 HIS C C 13 173.36 . . 1 . . . . A 40 HIS C . 30388 1 377 . 1 1 40 40 HIS CA C 13 55.89 . . 1 . . . . A 40 HIS CA . 30388 1 378 . 1 1 40 40 HIS CB C 13 29.06 . . 1 . . . . A 40 HIS CB . 30388 1 379 . 1 1 40 40 HIS N N 15 119.62 . . 1 . . . . A 40 HIS N . 30388 1 380 . 1 1 41 41 MET H H 1 8.17 . . 1 . . . . A 41 MET H . 30388 1 381 . 1 1 41 41 MET HA H 1 4.38 . . 1 . . . . A 41 MET HA . 30388 1 382 . 1 1 41 41 MET HB2 H 1 1.94 . . . . . . . A 41 MET HB2 . 30388 1 383 . 1 1 41 41 MET HB3 H 1 1.94 . . . . . . . A 41 MET HB3 . 30388 1 384 . 1 1 41 41 MET HG2 H 1 2.41 . . . . . . . A 41 MET HG2 . 30388 1 385 . 1 1 41 41 MET HG3 H 1 2.41 . . . . . . . A 41 MET HG3 . 30388 1 386 . 1 1 41 41 MET HE1 H 1 2.00 . . 1 . . . . A 41 MET HE1 . 30388 1 387 . 1 1 41 41 MET HE2 H 1 2.00 . . 1 . . . . A 41 MET HE2 . 30388 1 388 . 1 1 41 41 MET HE3 H 1 2.00 . . 1 . . . . A 41 MET HE3 . 30388 1 389 . 1 1 41 41 MET CA C 13 55.65 . . 1 . . . . A 41 MET CA . 30388 1 390 . 1 1 41 41 MET CB C 13 32.67 . . 1 . . . . A 41 MET CB . 30388 1 391 . 1 1 41 41 MET CE C 13 16.6 . . 1 . . . . A 41 MET CE . 30388 1 392 . 1 1 41 41 MET N N 15 120.17 . . 1 . . . . A 41 MET N . 30388 1 393 . 1 1 42 42 ARG H H 1 8.25 . . 1 . . . . A 42 ARG H . 30388 1 394 . 1 1 42 42 ARG HA H 1 4.37 . . 1 . . . . A 42 ARG HA . 30388 1 395 . 1 1 42 42 ARG HB2 H 1 1.75 . . . . . . . A 42 ARG HB2 . 30388 1 396 . 1 1 42 42 ARG HB3 H 1 1.78 . . . . . . . A 42 ARG HB3 . 30388 1 397 . 1 1 42 42 ARG HG2 H 1 1.57 . . . . . . . A 42 ARG HG2 . 30388 1 398 . 1 1 42 42 ARG HG3 H 1 1.57 . . . . . . . A 42 ARG HG3 . 30388 1 399 . 1 1 42 42 ARG HD2 H 1 3.12 . . . . . . . A 42 ARG HD2 . 30388 1 400 . 1 1 42 42 ARG HD3 H 1 3.12 . . . . . . . A 42 ARG HD3 . 30388 1 401 . 1 1 42 42 ARG C C 13 175.49 . . 1 . . . . A 42 ARG C . 30388 1 402 . 1 1 42 42 ARG CA C 13 55.83 . . 1 . . . . A 42 ARG CA . 30388 1 403 . 1 1 42 42 ARG CB C 13 30.76 . . 1 . . . . A 42 ARG CB . 30388 1 404 . 1 1 42 42 ARG CG C 13 27.08 . . 1 . . . . A 42 ARG CG . 30388 1 405 . 1 1 42 42 ARG CD C 13 43.38 . . 1 . . . . A 42 ARG CD . 30388 1 406 . 1 1 42 42 ARG N N 15 122.31 . . 1 . . . . A 42 ARG N . 30388 1 407 . 1 1 43 43 THR H H 1 8.10 . . 1 . . . . A 43 THR H . 30388 1 408 . 1 1 43 43 THR HA H 1 4.38 . . 1 . . . . A 43 THR HA . 30388 1 409 . 1 1 43 43 THR HB H 1 4.12 . . 1 . . . . A 43 THR HB . 30388 1 410 . 1 1 43 43 THR HG21 H 1 1.16 . . 1 . . . . A 43 THR HG21 . 30388 1 411 . 1 1 43 43 THR HG22 H 1 1.16 . . 1 . . . . A 43 THR HG22 . 30388 1 412 . 1 1 43 43 THR HG23 H 1 1.16 . . 1 . . . . A 43 THR HG23 . 30388 1 413 . 1 1 43 43 THR C C 13 175.21 . . 1 . . . . A 43 THR C . 30388 1 414 . 1 1 43 43 THR CA C 13 61.70 . . 1 . . . . A 43 THR CA . 30388 1 415 . 1 1 43 43 THR CB C 13 69.79 . . 1 . . . . A 43 THR CB . 30388 1 416 . 1 1 43 43 THR CG2 C 13 21.59 . . 1 . . . . A 43 THR CG2 . 30388 1 417 . 1 1 43 43 THR N N 15 115.83 . . 1 . . . . A 43 THR N . 30388 1 418 . 1 1 44 44 CYS H H 1 8.19 . . 1 . . . . A 44 CYS H . 30388 1 419 . 1 1 44 44 CYS HA H 1 4.82 . . 1 . . . . A 44 CYS HA . 30388 1 420 . 1 1 44 44 CYS HB2 H 1 2.50 . . . . . . . A 44 CYS HB2 . 30388 1 421 . 1 1 44 44 CYS HB3 H 1 3.25 . . . . . . . A 44 CYS HB3 . 30388 1 422 . 1 1 44 44 CYS C C 13 173.80 . . 1 . . . . A 44 CYS C . 30388 1 423 . 1 1 44 44 CYS CA C 13 52.63 . . 1 . . . . A 44 CYS CA . 30388 1 424 . 1 1 44 44 CYS CB C 13 38.31 . . 1 . . . . A 44 CYS CB . 30388 1 425 . 1 1 44 44 CYS N N 15 122.36 . . 1 . . . . A 44 CYS N . 30388 1 426 . 1 1 45 45 ARG H H 1 8.57 . . 1 . . . . A 45 ARG H . 30388 1 427 . 1 1 45 45 ARG HA H 1 4.22 . . 1 . . . . A 45 ARG HA . 30388 1 428 . 1 1 45 45 ARG HB2 H 1 1.91 . . . . . . . A 45 ARG HB2 . 30388 1 429 . 1 1 45 45 ARG HB3 H 1 1.32 . . . . . . . A 45 ARG HB3 . 30388 1 430 . 1 1 45 45 ARG HG2 H 1 1.63 . . . . . . . A 45 ARG HG2 . 30388 1 431 . 1 1 45 45 ARG HG3 H 1 1.63 . . . . . . . A 45 ARG HG3 . 30388 1 432 . 1 1 45 45 ARG HD2 H 1 3.07 . . . . . . . A 45 ARG HD2 . 30388 1 433 . 1 1 45 45 ARG HD3 H 1 3.15 . . . . . . . A 45 ARG HD3 . 30388 1 434 . 1 1 45 45 ARG C C 13 176.37 . . 1 . . . . A 45 ARG C . 30388 1 435 . 1 1 45 45 ARG CA C 13 55.76 . . 1 . . . . A 45 ARG CA . 30388 1 436 . 1 1 45 45 ARG CB C 13 31.4 . . 1 . . . . A 45 ARG CB . 30388 1 437 . 1 1 45 45 ARG CG C 13 27.7 . . 1 . . . . A 45 ARG CG . 30388 1 438 . 1 1 45 45 ARG CD C 13 43.25 . . 1 . . . . A 45 ARG CD . 30388 1 439 . 1 1 45 45 ARG N N 15 121.02 . . 1 . . . . A 45 ARG N . 30388 1 440 . 1 1 46 46 ILE H H 1 7.98 . . 1 . . . . A 46 ILE H . 30388 1 441 . 1 1 46 46 ILE HA H 1 3.84 . . 1 . . . . A 46 ILE HA . 30388 1 442 . 1 1 46 46 ILE HB H 1 1.62 . . 1 . . . . A 46 ILE HB . 30388 1 443 . 1 1 46 46 ILE HG12 H 1 1.20 . . . . . . . A 46 ILE HG12 . 30388 1 444 . 1 1 46 46 ILE HG13 H 1 1.20 . . . . . . . A 46 ILE HG13 . 30388 1 445 . 1 1 46 46 ILE HG21 H 1 0.67 . . 1 . . . . A 46 ILE HG21 . 30388 1 446 . 1 1 46 46 ILE HG22 H 1 0.67 . . 1 . . . . A 46 ILE HG22 . 30388 1 447 . 1 1 46 46 ILE HG23 H 1 0.67 . . 1 . . . . A 46 ILE HG23 . 30388 1 448 . 1 1 46 46 ILE HD11 H 1 0.68 . . 1 . . . . A 46 ILE HD11 . 30388 1 449 . 1 1 46 46 ILE HD12 H 1 0.68 . . 1 . . . . A 46 ILE HD12 . 30388 1 450 . 1 1 46 46 ILE HD13 H 1 0.68 . . 1 . . . . A 46 ILE HD13 . 30388 1 451 . 1 1 46 46 ILE CA C 13 62.93 . . 1 . . . . A 46 ILE CA . 30388 1 452 . 1 1 46 46 ILE CB C 13 38.1 . . 1 . . . . A 46 ILE CB . 30388 1 453 . 1 1 46 46 ILE CG2 C 13 16.7 . . 1 . . . . A 46 ILE CG2 . 30388 1 454 . 1 1 46 46 ILE CD1 C 13 13.4 . . 1 . . . . A 46 ILE CD1 . 30388 1 455 . 1 1 46 46 ILE N N 15 118.46 . . 1 . . . . A 46 ILE N . 30388 1 456 . 1 1 47 47 HIS H H 1 8.24 . . 1 . . . . A 47 HIS H . 30388 1 457 . 1 1 47 47 HIS C C 13 172.78 . . 1 . . . . A 47 HIS C . 30388 1 458 . 1 1 47 47 HIS N N 15 117.81 . . 1 . . . . A 47 HIS N . 30388 1 459 . 1 1 48 48 GLU H H 1 7.75 . . 1 . . . . A 48 GLU H . 30388 1 460 . 1 1 48 48 GLU HA H 1 4.90 . . 1 . . . . A 48 GLU HA . 30388 1 461 . 1 1 48 48 GLU HB2 H 1 2.03 . . . . . . . A 48 GLU HB2 . 30388 1 462 . 1 1 48 48 GLU HB3 H 1 1.54 . . . . . . . A 48 GLU HB3 . 30388 1 463 . 1 1 48 48 GLU HG2 H 1 2.51 . . . . . . . A 48 GLU HG2 . 30388 1 464 . 1 1 48 48 GLU HG3 H 1 3.26 . . . . . . . A 48 GLU HG3 . 30388 1 465 . 1 1 48 48 GLU C C 13 175.08 . . 1 . . . . A 48 GLU C . 30388 1 466 . 1 1 48 48 GLU CA C 13 54.28 . . 1 . . . . A 48 GLU CA . 30388 1 467 . 1 1 48 48 GLU CB C 13 34.4 . . 1 . . . . A 48 GLU CB . 30388 1 468 . 1 1 48 48 GLU CG C 13 38.31 . . 1 . . . . A 48 GLU CG . 30388 1 469 . 1 1 48 48 GLU N N 15 118.97 . . 1 . . . . A 48 GLU N . 30388 1 470 . 1 1 49 49 ILE H H 1 9.18 . . 1 . . . . A 49 ILE H . 30388 1 471 . 1 1 49 49 ILE HA H 1 4.52 . . 1 . . . . A 49 ILE HA . 30388 1 472 . 1 1 49 49 ILE HB H 1 1.79 . . 1 . . . . A 49 ILE HB . 30388 1 473 . 1 1 49 49 ILE HG12 H 1 0.84 . . . . . . . A 49 ILE HG12 . 30388 1 474 . 1 1 49 49 ILE HG13 H 1 1.37 . . . . . . . A 49 ILE HG13 . 30388 1 475 . 1 1 49 49 ILE HG21 H 1 0.87 . . 1 . . . . A 49 ILE HG21 . 30388 1 476 . 1 1 49 49 ILE HG22 H 1 0.87 . . 1 . . . . A 49 ILE HG22 . 30388 1 477 . 1 1 49 49 ILE HG23 H 1 0.87 . . 1 . . . . A 49 ILE HG23 . 30388 1 478 . 1 1 49 49 ILE HD11 H 1 0.84 . . 1 . . . . A 49 ILE HD11 . 30388 1 479 . 1 1 49 49 ILE HD12 H 1 0.84 . . 1 . . . . A 49 ILE HD12 . 30388 1 480 . 1 1 49 49 ILE HD13 H 1 0.84 . . 1 . . . . A 49 ILE HD13 . 30388 1 481 . 1 1 49 49 ILE C C 13 172.84 . . 1 . . . . A 49 ILE C . 30388 1 482 . 1 1 49 49 ILE CA C 13 58.96 . . 1 . . . . A 49 ILE CA . 30388 1 483 . 1 1 49 49 ILE CB C 13 41.93 . . 1 . . . . A 49 ILE CB . 30388 1 484 . 1 1 49 49 ILE CG1 C 13 26.65 . . 1 . . . . A 49 ILE CG1 . 30388 1 485 . 1 1 49 49 ILE CG2 C 13 18.31 . . 1 . . . . A 49 ILE CG2 . 30388 1 486 . 1 1 49 49 ILE CD1 C 13 14.41 . . 1 . . . . A 49 ILE CD1 . 30388 1 487 . 1 1 49 49 ILE N N 15 115.36 . . 1 . . . . A 49 ILE N . 30388 1 488 . 1 1 50 50 SER H H 1 8.21 . . 1 . . . . A 50 SER H . 30388 1 489 . 1 1 50 50 SER HA H 1 4.78 . . 1 . . . . A 50 SER HA . 30388 1 490 . 1 1 50 50 SER HB2 H 1 3.93 . . . . . . . A 50 SER HB2 . 30388 1 491 . 1 1 50 50 SER HB3 H 1 3.68 . . . . . . . A 50 SER HB3 . 30388 1 492 . 1 1 50 50 SER C C 13 176.16 . . 1 . . . . A 50 SER C . 30388 1 493 . 1 1 50 50 SER CA C 13 57.62 . . 1 . . . . A 50 SER CA . 30388 1 494 . 1 1 50 50 SER CB C 13 64.33 . . 1 . . . . A 50 SER CB . 30388 1 495 . 1 1 50 50 SER N N 15 116.18 . . 1 . . . . A 50 SER N . 30388 1 496 . 1 1 51 51 CYS H H 1 8.06 . . 1 . . . . A 51 CYS H . 30388 1 497 . 1 1 51 51 CYS HA H 1 4.55 . . 1 . . . . A 51 CYS HA . 30388 1 498 . 1 1 51 51 CYS HB2 H 1 3.31 . . . . . . . A 51 CYS HB2 . 30388 1 499 . 1 1 51 51 CYS HB3 H 1 3.06 . . . . . . . A 51 CYS HB3 . 30388 1 500 . 1 1 51 51 CYS C C 13 172.81 . . 1 . . . . A 51 CYS C . 30388 1 501 . 1 1 51 51 CYS CA C 13 56.29 . . 1 . . . . A 51 CYS CA . 30388 1 502 . 1 1 51 51 CYS CB C 13 39.81 . . 1 . . . . A 51 CYS CB . 30388 1 503 . 1 1 51 51 CYS N N 15 121.98 . . 1 . . . . A 51 CYS N . 30388 1 504 . 1 1 52 52 GLY H H 1 8.13 . . 1 . . . . A 52 GLY H . 30388 1 505 . 1 1 52 52 GLY HA2 H 1 3.75 . . . . . . . A 52 GLY HA2 . 30388 1 506 . 1 1 52 52 GLY HA3 H 1 4.43 . . . . . . . A 52 GLY HA3 . 30388 1 507 . 1 1 52 52 GLY C C 13 172.80 . . 1 . . . . A 52 GLY C . 30388 1 508 . 1 1 52 52 GLY CA C 13 44.96 . . 1 . . . . A 52 GLY CA . 30388 1 509 . 1 1 52 52 GLY N N 15 107.75 . . 1 . . . . A 52 GLY N . 30388 1 510 . 1 1 53 53 ALA H H 1 8.59 . . 1 . . . . A 53 ALA H . 30388 1 511 . 1 1 53 53 ALA HA H 1 3.98 . . 1 . . . . A 53 ALA HA . 30388 1 512 . 1 1 53 53 ALA HB1 H 1 1.16 . . 1 . . . . A 53 ALA HB1 . 30388 1 513 . 1 1 53 53 ALA HB2 H 1 1.16 . . 1 . . . . A 53 ALA HB2 . 30388 1 514 . 1 1 53 53 ALA HB3 H 1 1.16 . . 1 . . . . A 53 ALA HB3 . 30388 1 515 . 1 1 53 53 ALA C C 13 179.31 . . 1 . . . . A 53 ALA C . 30388 1 516 . 1 1 53 53 ALA CA C 13 54.03 . . 1 . . . . A 53 ALA CA . 30388 1 517 . 1 1 53 53 ALA CB C 13 18.63 . . 1 . . . . A 53 ALA CB . 30388 1 518 . 1 1 53 53 ALA N N 15 122.37 . . 1 . . . . A 53 ALA N . 30388 1 519 . 1 1 54 54 HIS H H 1 8.60 . . 1 . . . . A 54 HIS H . 30388 1 520 . 1 1 54 54 HIS HA H 1 4.68 . . 1 . . . . A 54 HIS HA . 30388 1 521 . 1 1 54 54 HIS HB2 H 1 3.09 . . . . . . . A 54 HIS HB2 . 30388 1 522 . 1 1 54 54 HIS HB3 H 1 3.35 . . . . . . . A 54 HIS HB3 . 30388 1 523 . 1 1 54 54 HIS C C 13 172.74 . . 1 . . . . A 54 HIS C . 30388 1 524 . 1 1 54 54 HIS CA C 13 54.66 . . 1 . . . . A 54 HIS CA . 30388 1 525 . 1 1 54 54 HIS CB C 13 28.47 . . 1 . . . . A 54 HIS CB . 30388 1 526 . 1 1 54 54 HIS N N 15 114.56 . . 1 . . . . A 54 HIS N . 30388 1 527 . 1 1 55 55 SER H H 1 7.48 . . 1 . . . . A 55 SER H . 30388 1 528 . 1 1 55 55 SER HA H 1 4.65 . . 1 . . . . A 55 SER HA . 30388 1 529 . 1 1 55 55 SER HB2 H 1 3.54 . . . . . . . A 55 SER HB2 . 30388 1 530 . 1 1 55 55 SER HB3 H 1 3.72 . . . . . . . A 55 SER HB3 . 30388 1 531 . 1 1 55 55 SER C C 13 174.57 . . 1 . . . . A 55 SER C . 30388 1 532 . 1 1 55 55 SER CA C 13 56.95 . . 1 . . . . A 55 SER CA . 30388 1 533 . 1 1 55 55 SER CB C 13 64.32 . . 1 . . . . A 55 SER CB . 30388 1 534 . 1 1 55 55 SER N N 15 113.96 . . 1 . . . . A 55 SER N . 30388 1 535 . 1 1 56 56 THR H H 1 8.61 . . 1 . . . . A 56 THR H . 30388 1 536 . 1 1 56 56 THR HA H 1 4.65 . . 1 . . . . A 56 THR HA . 30388 1 537 . 1 1 56 56 THR HB H 1 4.38 . . 1 . . . . A 56 THR HB . 30388 1 538 . 1 1 56 56 THR HG21 H 1 1.15 . . 1 . . . . A 56 THR HG21 . 30388 1 539 . 1 1 56 56 THR HG22 H 1 1.15 . . 1 . . . . A 56 THR HG22 . 30388 1 540 . 1 1 56 56 THR HG23 H 1 1.15 . . 1 . . . . A 56 THR HG23 . 30388 1 541 . 1 1 56 56 THR C C 13 172.80 . . 1 . . . . A 56 THR C . 30388 1 542 . 1 1 56 56 THR CA C 13 61.45 . . 1 . . . . A 56 THR CA . 30388 1 543 . 1 1 56 56 THR CB C 13 68.81 . . 1 . . . . A 56 THR CB . 30388 1 544 . 1 1 56 56 THR CG2 C 13 21.59 . . 1 . . . . A 56 THR CG2 . 30388 1 545 . 1 1 56 56 THR N N 15 115.75 . . 1 . . . . A 56 THR N . 30388 1 546 . 1 1 57 57 GLN H H 1 8.38 . . 1 . . . . A 57 GLN H . 30388 1 547 . 1 1 57 57 GLN HB2 H 1 1.93 . . . . . . . A 57 GLN HB2 . 30388 1 548 . 1 1 57 57 GLN HB3 H 1 1.93 . . . . . . . A 57 GLN HB3 . 30388 1 549 . 1 1 57 57 GLN HG2 H 1 2.29 . . . . . . . A 57 GLN HG2 . 30388 1 550 . 1 1 57 57 GLN HG3 H 1 2.41 . . . . . . . A 57 GLN HG3 . 30388 1 551 . 1 1 57 57 GLN HE21 H 1 7.44 . . . . . . . A 57 GLN HE21 . 30388 1 552 . 1 1 57 57 GLN HE22 H 1 6.84 . . . . . . . A 57 GLN HE22 . 30388 1 553 . 1 1 57 57 GLN CA C 13 56.07 . . 1 . . . . A 57 GLN CA . 30388 1 554 . 1 1 57 57 GLN CB C 13 30.79 . . 1 . . . . A 57 GLN CB . 30388 1 555 . 1 1 57 57 GLN CG C 13 34.1 . . 1 . . . . A 57 GLN CG . 30388 1 556 . 1 1 57 57 GLN N N 15 123.16 . . 1 . . . . A 57 GLN N . 30388 1 557 . 1 1 57 57 GLN NE2 N 15 111.11 . . 1 . . . . A 57 GLN NE2 . 30388 1 558 . 1 1 58 58 CYS H H 1 8.47 . . 1 . . . . A 58 CYS H . 30388 1 559 . 1 1 58 58 CYS HA H 1 5.30 . . 1 . . . . A 58 CYS HA . 30388 1 560 . 1 1 58 58 CYS HB2 H 1 2.65 . . . . . . . A 58 CYS HB2 . 30388 1 561 . 1 1 58 58 CYS HB3 H 1 2.73 . . . . . . . A 58 CYS HB3 . 30388 1 562 . 1 1 58 58 CYS CA C 13 54.40 . . 1 . . . . A 58 CYS CA . 30388 1 563 . 1 1 58 58 CYS CB C 13 45.27 . . 1 . . . . A 58 CYS CB . 30388 1 564 . 1 1 58 58 CYS N N 15 124.60 . . 1 . . . . A 58 CYS N . 30388 1 565 . 1 1 59 59 ILE H H 1 8.93 . . 1 . . . . A 59 ILE H . 30388 1 566 . 1 1 59 59 ILE HA H 1 4.80 . . 1 . . . . A 59 ILE HA . 30388 1 567 . 1 1 59 59 ILE HB H 1 1.77 . . 1 . . . . A 59 ILE HB . 30388 1 568 . 1 1 59 59 ILE HG12 H 1 1.43 . . . . . . . A 59 ILE HG12 . 30388 1 569 . 1 1 59 59 ILE HG13 H 1 1.43 . . . . . . . A 59 ILE HG13 . 30388 1 570 . 1 1 59 59 ILE HG21 H 1 0.87 . . 1 . . . . A 59 ILE HG21 . 30388 1 571 . 1 1 59 59 ILE HG22 H 1 0.87 . . 1 . . . . A 59 ILE HG22 . 30388 1 572 . 1 1 59 59 ILE HG23 H 1 0.87 . . 1 . . . . A 59 ILE HG23 . 30388 1 573 . 1 1 59 59 ILE HD11 H 1 0.87 . . 1 . . . . A 59 ILE HD11 . 30388 1 574 . 1 1 59 59 ILE HD12 H 1 0.87 . . 1 . . . . A 59 ILE HD12 . 30388 1 575 . 1 1 59 59 ILE HD13 H 1 0.87 . . 1 . . . . A 59 ILE HD13 . 30388 1 576 . 1 1 59 59 ILE CA C 13 57.42 . . 1 . . . . A 59 ILE CA . 30388 1 577 . 1 1 59 59 ILE CB C 13 40.37 . . 1 . . . . A 59 ILE CB . 30388 1 578 . 1 1 59 59 ILE CG2 C 13 18.1 . . 1 . . . . A 59 ILE CG2 . 30388 1 579 . 1 1 59 59 ILE CD1 C 13 15.8 . . 1 . . . . A 59 ILE CD1 . 30388 1 580 . 1 1 59 59 ILE N N 15 116.02 . . 1 . . . . A 59 ILE N . 30388 1 581 . 1 1 60 60 PRO HA H 1 4.22 . . 1 . . . . A 60 PRO HA . 30388 1 582 . 1 1 60 60 PRO HB2 H 1 1.99 . . . . . . . A 60 PRO HB2 . 30388 1 583 . 1 1 60 60 PRO HB3 H 1 0.88 . . . . . . . A 60 PRO HB3 . 30388 1 584 . 1 1 60 60 PRO HG2 H 1 0.56 . . . . . . . A 60 PRO HG2 . 30388 1 585 . 1 1 60 60 PRO HG3 H 1 1.21 . . . . . . . A 60 PRO HG3 . 30388 1 586 . 1 1 60 60 PRO HD2 H 1 2.88 . . . . . . . A 60 PRO HD2 . 30388 1 587 . 1 1 60 60 PRO HD3 H 1 1.61 . . . . . . . A 60 PRO HD3 . 30388 1 588 . 1 1 60 60 PRO C C 13 178.29 . . 1 . . . . A 60 PRO C . 30388 1 589 . 1 1 60 60 PRO CA C 13 63.00 . . 1 . . . . A 60 PRO CA . 30388 1 590 . 1 1 60 60 PRO CB C 13 31.83 . . 1 . . . . A 60 PRO CB . 30388 1 591 . 1 1 61 61 VAL H H 1 8.11 . . 1 . . . . A 61 VAL H . 30388 1 592 . 1 1 61 61 VAL HA H 1 3.66 . . 1 . . . . A 61 VAL HA . 30388 1 593 . 1 1 61 61 VAL HB H 1 1.88 . . 1 . . . . A 61 VAL HB . 30388 1 594 . 1 1 61 61 VAL HG11 H 1 0.91 . . . . . . . A 61 VAL HG11 . 30388 1 595 . 1 1 61 61 VAL HG12 H 1 0.91 . . . . . . . A 61 VAL HG12 . 30388 1 596 . 1 1 61 61 VAL HG13 H 1 0.91 . . . . . . . A 61 VAL HG13 . 30388 1 597 . 1 1 61 61 VAL HG21 H 1 0.88 . . . . . . . A 61 VAL HG21 . 30388 1 598 . 1 1 61 61 VAL HG22 H 1 0.88 . . . . . . . A 61 VAL HG22 . 30388 1 599 . 1 1 61 61 VAL HG23 H 1 0.88 . . . . . . . A 61 VAL HG23 . 30388 1 600 . 1 1 61 61 VAL C C 13 178.08 . . 1 . . . . A 61 VAL C . 30388 1 601 . 1 1 61 61 VAL CA C 13 65.23 . . 1 . . . . A 61 VAL CA . 30388 1 602 . 1 1 61 61 VAL CB C 13 31.85 . . 1 . . . . A 61 VAL CB . 30388 1 603 . 1 1 61 61 VAL CG1 C 13 20.29 . . . . . . . A 61 VAL CG1 . 30388 1 604 . 1 1 61 61 VAL CG2 C 13 21.8 . . . . . . . A 61 VAL CG2 . 30388 1 605 . 1 1 61 61 VAL N N 15 122.19 . . 1 . . . . A 61 VAL N . 30388 1 606 . 1 1 62 62 SER H H 1 7.92 . . 1 . . . . A 62 SER H . 30388 1 607 . 1 1 62 62 SER HA H 1 4.33 . . 1 . . . . A 62 SER HA . 30388 1 608 . 1 1 62 62 SER HB2 H 1 4.10 . . . . . . . A 62 SER HB2 . 30388 1 609 . 1 1 62 62 SER HB3 H 1 3.88 . . . . . . . A 62 SER HB3 . 30388 1 610 . 1 1 62 62 SER C C 13 174.50 . . 1 . . . . A 62 SER C . 30388 1 611 . 1 1 62 62 SER CA C 13 59.93 . . 1 . . . . A 62 SER CA . 30388 1 612 . 1 1 62 62 SER CB C 13 62.92 . . 1 . . . . A 62 SER CB . 30388 1 613 . 1 1 62 62 SER N N 15 114.11 . . 1 . . . . A 62 SER N . 30388 1 614 . 1 1 63 63 TRP H H 1 8.02 . . 1 . . . . A 63 TRP H . 30388 1 615 . 1 1 63 63 TRP HA H 1 5.22 . . 1 . . . . A 63 TRP HA . 30388 1 616 . 1 1 63 63 TRP HB2 H 1 3.86 . . . . . . . A 63 TRP HB2 . 30388 1 617 . 1 1 63 63 TRP HB3 H 1 3.12 . . . . . . . A 63 TRP HB3 . 30388 1 618 . 1 1 63 63 TRP HE1 H 1 9.81 . . 1 . . . . A 63 TRP HE1 . 30388 1 619 . 1 1 63 63 TRP C C 13 178.71 . . 1 . . . . A 63 TRP C . 30388 1 620 . 1 1 63 63 TRP CA C 13 54.79 . . 1 . . . . A 63 TRP CA . 30388 1 621 . 1 1 63 63 TRP CB C 13 27.99 . . 1 . . . . A 63 TRP CB . 30388 1 622 . 1 1 63 63 TRP N N 15 120.58 . . 1 . . . . A 63 TRP N . 30388 1 623 . 1 1 63 63 TRP NE1 N 15 126.57 . . 1 . . . . A 63 TRP NE1 . 30388 1 624 . 1 1 64 64 ARG H H 1 7.97 . . 1 . . . . A 64 ARG H . 30388 1 625 . 1 1 64 64 ARG HA H 1 4.41 . . 1 . . . . A 64 ARG HA . 30388 1 626 . 1 1 64 64 ARG HB2 H 1 1.71 . . . . . . . A 64 ARG HB2 . 30388 1 627 . 1 1 64 64 ARG HB3 H 1 2.16 . . . . . . . A 64 ARG HB3 . 30388 1 628 . 1 1 64 64 ARG HG2 H 1 1.86 . . . . . . . A 64 ARG HG2 . 30388 1 629 . 1 1 64 64 ARG HG3 H 1 1.72 . . . . . . . A 64 ARG HG3 . 30388 1 630 . 1 1 64 64 ARG HD2 H 1 3.37 . . . . . . . A 64 ARG HD2 . 30388 1 631 . 1 1 64 64 ARG HD3 H 1 3.08 . . . . . . . A 64 ARG HD3 . 30388 1 632 . 1 1 64 64 ARG C C 13 173.10 . . 1 . . . . A 64 ARG C . 30388 1 633 . 1 1 64 64 ARG CA C 13 56.49 . . 1 . . . . A 64 ARG CA . 30388 1 634 . 1 1 64 64 ARG CB C 13 30.49 . . 1 . . . . A 64 ARG CB . 30388 1 635 . 1 1 64 64 ARG CG C 13 27.9 . . 1 . . . . A 64 ARG CG . 30388 1 636 . 1 1 64 64 ARG CD C 13 43.43 . . 1 . . . . A 64 ARG CD . 30388 1 637 . 1 1 64 64 ARG N N 15 126.45 . . 1 . . . . A 64 ARG N . 30388 1 638 . 1 1 65 65 CYS H H 1 8.90 . . 1 . . . . A 65 CYS H . 30388 1 639 . 1 1 65 65 CYS HA H 1 4.79 . . 1 . . . . A 65 CYS HA . 30388 1 640 . 1 1 65 65 CYS HB2 H 1 3.02 . . . . . . . A 65 CYS HB2 . 30388 1 641 . 1 1 65 65 CYS HB3 H 1 3.29 . . . . . . . A 65 CYS HB3 . 30388 1 642 . 1 1 65 65 CYS C C 13 174.34 . . 1 . . . . A 65 CYS C . 30388 1 643 . 1 1 65 65 CYS CA C 13 55.72 . . 1 . . . . A 65 CYS CA . 30388 1 644 . 1 1 65 65 CYS CB C 13 36.33 . . 1 . . . . A 65 CYS CB . 30388 1 645 . 1 1 65 65 CYS N N 15 124.06 . . 1 . . . . A 65 CYS N . 30388 1 646 . 1 1 66 66 ASP H H 1 9.76 . . 1 . . . . A 66 ASP H . 30388 1 647 . 1 1 66 66 ASP HA H 1 4.79 . . 1 . . . . A 66 ASP HA . 30388 1 648 . 1 1 66 66 ASP HB2 H 1 2.49 . . . . . . . A 66 ASP HB2 . 30388 1 649 . 1 1 66 66 ASP HB3 H 1 3.07 . . . . . . . A 66 ASP HB3 . 30388 1 650 . 1 1 66 66 ASP C C 13 178.50 . . 1 . . . . A 66 ASP C . 30388 1 651 . 1 1 66 66 ASP CA C 13 52.19 . . 1 . . . . A 66 ASP CA . 30388 1 652 . 1 1 66 66 ASP CB C 13 41.74 . . 1 . . . . A 66 ASP CB . 30388 1 653 . 1 1 66 66 ASP N N 15 121.18 . . 1 . . . . A 66 ASP N . 30388 1 654 . 1 1 67 67 GLY H H 1 9.37 . . 1 . . . . A 67 GLY H . 30388 1 655 . 1 1 67 67 GLY HA2 H 1 3.39 . . . . . . . A 67 GLY HA2 . 30388 1 656 . 1 1 67 67 GLY HA3 H 1 4.22 . . . . . . . A 67 GLY HA3 . 30388 1 657 . 1 1 67 67 GLY C C 13 171.68 . . 1 . . . . A 67 GLY C . 30388 1 658 . 1 1 67 67 GLY CA C 13 45.45 . . 1 . . . . A 67 GLY CA . 30388 1 659 . 1 1 67 67 GLY N N 15 111.09 . . 1 . . . . A 67 GLY N . 30388 1 660 . 1 1 68 68 GLU H H 1 7.42 . . 1 . . . . A 68 GLU H . 30388 1 661 . 1 1 68 68 GLU HA H 1 4.54 . . 1 . . . . A 68 GLU HA . 30388 1 662 . 1 1 68 68 GLU HB2 H 1 1.72 . . . . . . . A 68 GLU HB2 . 30388 1 663 . 1 1 68 68 GLU HB3 H 1 1.69 . . . . . . . A 68 GLU HB3 . 30388 1 664 . 1 1 68 68 GLU HG2 H 1 1.89 . . . . . . . A 68 GLU HG2 . 30388 1 665 . 1 1 68 68 GLU HG3 H 1 1.90 . . . . . . . A 68 GLU HG3 . 30388 1 666 . 1 1 68 68 GLU C C 13 174.88 . . 1 . . . . A 68 GLU C . 30388 1 667 . 1 1 68 68 GLU CA C 13 53.63 . . 1 . . . . A 68 GLU CA . 30388 1 668 . 1 1 68 68 GLU CB C 13 31.45 . . 1 . . . . A 68 GLU CB . 30388 1 669 . 1 1 68 68 GLU CG C 13 35.1 . . 1 . . . . A 68 GLU CG . 30388 1 670 . 1 1 68 68 GLU N N 15 118.36 . . 1 . . . . A 68 GLU N . 30388 1 671 . 1 1 69 69 ASN H H 1 9.34 . . 1 . . . . A 69 ASN H . 30388 1 672 . 1 1 69 69 ASN HA H 1 4.70 . . 1 . . . . A 69 ASN HA . 30388 1 673 . 1 1 69 69 ASN HB2 H 1 2.66 . . . . . . . A 69 ASN HB2 . 30388 1 674 . 1 1 69 69 ASN HB3 H 1 2.82 . . . . . . . A 69 ASN HB3 . 30388 1 675 . 1 1 69 69 ASN HD21 H 1 7.26 . . . . . . . A 69 ASN HD21 . 30388 1 676 . 1 1 69 69 ASN HD22 H 1 6.65 . . . . . . . A 69 ASN HD22 . 30388 1 677 . 1 1 69 69 ASN C C 13 171.71 . . 1 . . . . A 69 ASN C . 30388 1 678 . 1 1 69 69 ASN CA C 13 53.68 . . 1 . . . . A 69 ASN CA . 30388 1 679 . 1 1 69 69 ASN CB C 13 37.26 . . 1 . . . . A 69 ASN CB . 30388 1 680 . 1 1 69 69 ASN N N 15 128.03 . . 1 . . . . A 69 ASN N . 30388 1 681 . 1 1 69 69 ASN ND2 N 15 110.15 . . 1 . . . . A 69 ASN ND2 . 30388 1 682 . 1 1 70 70 ASP H H 1 10.13 . . 1 . . . . A 70 ASP H . 30388 1 683 . 1 1 70 70 ASP HA H 1 4.72 . . 1 . . . . A 70 ASP HA . 30388 1 684 . 1 1 70 70 ASP HB2 H 1 2.67 . . . . . . . A 70 ASP HB2 . 30388 1 685 . 1 1 70 70 ASP HB3 H 1 2.89 . . . . . . . A 70 ASP HB3 . 30388 1 686 . 1 1 70 70 ASP C C 13 177.28 . . 1 . . . . A 70 ASP C . 30388 1 687 . 1 1 70 70 ASP CA C 13 56.43 . . 1 . . . . A 70 ASP CA . 30388 1 688 . 1 1 70 70 ASP CB C 13 44.62 . . 1 . . . . A 70 ASP CB . 30388 1 689 . 1 1 70 70 ASP N N 15 128.41 . . 1 . . . . A 70 ASP N . 30388 1 690 . 1 1 71 71 CYS H H 1 8.29 . . 1 . . . . A 71 CYS H . 30388 1 691 . 1 1 71 71 CYS HA H 1 4.78 . . 1 . . . . A 71 CYS HA . 30388 1 692 . 1 1 71 71 CYS HB2 H 1 3.44 . . . . . . . A 71 CYS HB2 . 30388 1 693 . 1 1 71 71 CYS HB3 H 1 3.04 . . . . . . . A 71 CYS HB3 . 30388 1 694 . 1 1 71 71 CYS C C 13 177.50 . . 1 . . . . A 71 CYS C . 30388 1 695 . 1 1 71 71 CYS CA C 13 54.25 . . 1 . . . . A 71 CYS CA . 30388 1 696 . 1 1 71 71 CYS CB C 13 40.56 . . 1 . . . . A 71 CYS CB . 30388 1 697 . 1 1 71 71 CYS N N 15 118.18 . . 1 . . . . A 71 CYS N . 30388 1 698 . 1 1 72 72 ASP H H 1 9.44 . . 1 . . . . A 72 ASP H . 30388 1 699 . 1 1 72 72 ASP HA H 1 4.32 . . 1 . . . . A 72 ASP HA . 30388 1 700 . 1 1 72 72 ASP HB2 H 1 2.73 . . . . . . . A 72 ASP HB2 . 30388 1 701 . 1 1 72 72 ASP HB3 H 1 2.73 . . . . . . . A 72 ASP HB3 . 30388 1 702 . 1 1 72 72 ASP C C 13 178.17 . . 1 . . . . A 72 ASP C . 30388 1 703 . 1 1 72 72 ASP CA C 13 57.74 . . 1 . . . . A 72 ASP CA . 30388 1 704 . 1 1 72 72 ASP CB C 13 39.81 . . 1 . . . . A 72 ASP CB . 30388 1 705 . 1 1 72 72 ASP N N 15 127.50 . . 1 . . . . A 72 ASP N . 30388 1 706 . 1 1 73 73 SER H H 1 8.55 . . 1 . . . . A 73 SER H . 30388 1 707 . 1 1 73 73 SER HA H 1 4.49 . . 1 . . . . A 73 SER HA . 30388 1 708 . 1 1 73 73 SER HB2 H 1 3.96 . . . . . . . A 73 SER HB2 . 30388 1 709 . 1 1 73 73 SER HB3 H 1 4.06 . . . . . . . A 73 SER HB3 . 30388 1 710 . 1 1 73 73 SER C C 13 175.78 . . 1 . . . . A 73 SER C . 30388 1 711 . 1 1 73 73 SER CA C 13 57.58 . . 1 . . . . A 73 SER CA . 30388 1 712 . 1 1 73 73 SER CB C 13 63.95 . . 1 . . . . A 73 SER CB . 30388 1 713 . 1 1 73 73 SER N N 15 112.54 . . 1 . . . . A 73 SER N . 30388 1 714 . 1 1 74 74 GLY H H 1 7.86 . . 1 . . . . A 74 GLY H . 30388 1 715 . 1 1 74 74 GLY HA2 H 1 4.06 . . . . . . . A 74 GLY HA2 . 30388 1 716 . 1 1 74 74 GLY HA3 H 1 3.70 . . . . . . . A 74 GLY HA3 . 30388 1 717 . 1 1 74 74 GLY CA C 13 46.01 . . 1 . . . . A 74 GLY CA . 30388 1 718 . 1 1 74 74 GLY N N 15 107.98 . . 1 . . . . A 74 GLY N . 30388 1 719 . 1 1 75 75 GLU H H 1 9.16 . . 1 . . . . A 75 GLU H . 30388 1 720 . 1 1 75 75 GLU HA H 1 3.84 . . 1 . . . . A 75 GLU HA . 30388 1 721 . 1 1 75 75 GLU HB2 H 1 1.91 . . . . . . . A 75 GLU HB2 . 30388 1 722 . 1 1 75 75 GLU HB3 H 1 1.91 . . . . . . . A 75 GLU HB3 . 30388 1 723 . 1 1 75 75 GLU C C 13 177.83 . . 1 . . . . A 75 GLU C . 30388 1 724 . 1 1 75 75 GLU CA C 13 60.74 . . 1 . . . . A 75 GLU CA . 30388 1 725 . 1 1 75 75 GLU CB C 13 29.91 . . 1 . . . . A 75 GLU CB . 30388 1 726 . 1 1 75 75 GLU CG C 13 37.34 . . 1 . . . . A 75 GLU CG . 30388 1 727 . 1 1 75 75 GLU N N 15 121.39 . . 1 . . . . A 75 GLU N . 30388 1 728 . 1 1 76 76 ASP H H 1 9.50 . . 1 . . . . A 76 ASP H . 30388 1 729 . 1 1 76 76 ASP HA H 1 4.38 . . 1 . . . . A 76 ASP HA . 30388 1 730 . 1 1 76 76 ASP HB2 H 1 2.72 . . . . . . . A 76 ASP HB2 . 30388 1 731 . 1 1 76 76 ASP HB3 H 1 2.72 . . . . . . . A 76 ASP HB3 . 30388 1 732 . 1 1 76 76 ASP C C 13 175.02 . . 1 . . . . A 76 ASP C . 30388 1 733 . 1 1 76 76 ASP CA C 13 55.19 . . 1 . . . . A 76 ASP CA . 30388 1 734 . 1 1 76 76 ASP CB C 13 40.56 . . 1 . . . . A 76 ASP CB . 30388 1 735 . 1 1 76 76 ASP N N 15 112.27 . . 1 . . . . A 76 ASP N . 30388 1 736 . 1 1 77 77 GLU H H 1 7.49 . . 1 . . . . A 77 GLU H . 30388 1 737 . 1 1 77 77 GLU HA H 1 4.75 . . 1 . . . . A 77 GLU HA . 30388 1 738 . 1 1 77 77 GLU HB2 H 1 2.45 . . . . . . . A 77 GLU HB2 . 30388 1 739 . 1 1 77 77 GLU HB3 H 1 1.60 . . . . . . . A 77 GLU HB3 . 30388 1 740 . 1 1 77 77 GLU HG2 H 1 1.95 . . . . . . . A 77 GLU HG2 . 30388 1 741 . 1 1 77 77 GLU HG3 H 1 2.07 . . . . . . . A 77 GLU HG3 . 30388 1 742 . 1 1 77 77 GLU C C 13 175.32 . . 1 . . . . A 77 GLU C . 30388 1 743 . 1 1 77 77 GLU CA C 13 54.30 . . 1 . . . . A 77 GLU CA . 30388 1 744 . 1 1 77 77 GLU CB C 13 29.87 . . 1 . . . . A 77 GLU CB . 30388 1 745 . 1 1 77 77 GLU CG C 13 37.04 . . 1 . . . . A 77 GLU CG . 30388 1 746 . 1 1 77 77 GLU N N 15 117.28 . . 1 . . . . A 77 GLU N . 30388 1 747 . 1 1 78 78 GLU H H 1 7.06 . . 1 . . . . A 78 GLU H . 30388 1 748 . 1 1 78 78 GLU HA H 1 4.35 . . 1 . . . . A 78 GLU HA . 30388 1 749 . 1 1 78 78 GLU HB2 H 1 1.95 . . . . . . . A 78 GLU HB2 . 30388 1 750 . 1 1 78 78 GLU HB3 H 1 1.95 . . . . . . . A 78 GLU HB3 . 30388 1 751 . 1 1 78 78 GLU HG2 H 1 2.27 . . . . . . . A 78 GLU HG2 . 30388 1 752 . 1 1 78 78 GLU HG3 H 1 2.35 . . . . . . . A 78 GLU HG3 . 30388 1 753 . 1 1 78 78 GLU C C 13 175.67 . . 1 . . . . A 78 GLU C . 30388 1 754 . 1 1 78 78 GLU CA C 13 55.56 . . 1 . . . . A 78 GLU CA . 30388 1 755 . 1 1 78 78 GLU CB C 13 31.41 . . 1 . . . . A 78 GLU CB . 30388 1 756 . 1 1 78 78 GLU CG C 13 36.15 . . 1 . . . . A 78 GLU CG . 30388 1 757 . 1 1 78 78 GLU N N 15 120.38 . . 1 . . . . A 78 GLU N . 30388 1 758 . 1 1 79 79 ASN H H 1 9.01 . . 1 . . . . A 79 ASN H . 30388 1 759 . 1 1 79 79 ASN HA H 1 4.46 . . 1 . . . . A 79 ASN HA . 30388 1 760 . 1 1 79 79 ASN HB2 H 1 2.83 . . . . . . . A 79 ASN HB2 . 30388 1 761 . 1 1 79 79 ASN HB3 H 1 2.92 . . . . . . . A 79 ASN HB3 . 30388 1 762 . 1 1 79 79 ASN HD21 H 1 7.61 . . . . . . . A 79 ASN HD21 . 30388 1 763 . 1 1 79 79 ASN HD22 H 1 6.92 . . . . . . . A 79 ASN HD22 . 30388 1 764 . 1 1 79 79 ASN C C 13 174.78 . . 1 . . . . A 79 ASN C . 30388 1 765 . 1 1 79 79 ASN CA C 13 53.98 . . 1 . . . . A 79 ASN CA . 30388 1 766 . 1 1 79 79 ASN CB C 13 37.09 . . 1 . . . . A 79 ASN CB . 30388 1 767 . 1 1 79 79 ASN N N 15 118.12 . . 1 . . . . A 79 ASN N . 30388 1 768 . 1 1 79 79 ASN ND2 N 15 114.31 . . 1 . . . . A 79 ASN ND2 . 30388 1 769 . 1 1 80 80 CYS H H 1 8.29 . . 1 . . . . A 80 CYS H . 30388 1 770 . 1 1 80 80 CYS HA H 1 4.65 . . 1 . . . . A 80 CYS HA . 30388 1 771 . 1 1 80 80 CYS HB2 H 1 3.09 . . . . . . . A 80 CYS HB2 . 30388 1 772 . 1 1 80 80 CYS HB3 H 1 2.75 . . . . . . . A 80 CYS HB3 . 30388 1 773 . 1 1 80 80 CYS C C 13 175.34 . . 1 . . . . A 80 CYS C . 30388 1 774 . 1 1 80 80 CYS CA C 13 55.80 . . 1 . . . . A 80 CYS CA . 30388 1 775 . 1 1 80 80 CYS CB C 13 40.31 . . 1 . . . . A 80 CYS CB . 30388 1 776 . 1 1 80 80 CYS N N 15 116.88 . . 1 . . . . A 80 CYS N . 30388 1 777 . 1 1 81 81 GLY H H 1 8.50 . . 1 . . . . A 81 GLY H . 30388 1 778 . 1 1 81 81 GLY HA2 H 1 3.89 . . . . . . . A 81 GLY HA2 . 30388 1 779 . 1 1 81 81 GLY HA3 H 1 3.89 . . . . . . . A 81 GLY HA3 . 30388 1 780 . 1 1 81 81 GLY C C 13 172.09 . . 1 . . . . A 81 GLY C . 30388 1 781 . 1 1 81 81 GLY CA C 13 45.40 . . 1 . . . . A 81 GLY CA . 30388 1 782 . 1 1 81 81 GLY N N 15 109.79 . . 1 . . . . A 81 GLY N . 30388 1 783 . 1 1 82 82 ASN H H 1 8.21 . . 1 . . . . A 82 ASN H . 30388 1 784 . 1 1 82 82 ASN HA H 1 4.66 . . 1 . . . . A 82 ASN HA . 30388 1 785 . 1 1 82 82 ASN HB2 H 1 2.68 . . . . . . . A 82 ASN HB2 . 30388 1 786 . 1 1 82 82 ASN HB3 H 1 2.68 . . . . . . . A 82 ASN HB3 . 30388 1 787 . 1 1 82 82 ASN HD21 H 1 6.83 . . . . . . . A 82 ASN HD21 . 30388 1 788 . 1 1 82 82 ASN HD22 H 1 7.48 . . . . . . . A 82 ASN HD22 . 30388 1 789 . 1 1 82 82 ASN C C 13 173.91 . . 1 . . . . A 82 ASN C . 30388 1 790 . 1 1 82 82 ASN CA C 13 53.11 . . 1 . . . . A 82 ASN CA . 30388 1 791 . 1 1 82 82 ASN CB C 13 38.85 . . 1 . . . . A 82 ASN CB . 30388 1 792 . 1 1 82 82 ASN N N 15 118.51 . . 1 . . . . A 82 ASN N . 30388 1 793 . 1 1 82 82 ASN ND2 N 15 112.91 . . 1 . . . . A 82 ASN ND2 . 30388 1 794 . 1 1 83 83 ILE H H 1 8.03 . . 1 . . . . A 83 ILE H . 30388 1 795 . 1 1 83 83 ILE HA H 1 4.21 . . 1 . . . . A 83 ILE HA . 30388 1 796 . 1 1 83 83 ILE HB H 1 1.84 . . 1 . . . . A 83 ILE HB . 30388 1 797 . 1 1 83 83 ILE HG12 H 1 1.41 . . . . . . . A 83 ILE HG12 . 30388 1 798 . 1 1 83 83 ILE HG13 H 1 0.83 . . . . . . . A 83 ILE HG13 . 30388 1 799 . 1 1 83 83 ILE HG21 H 1 1.13 . . 1 . . . . A 83 ILE HG21 . 30388 1 800 . 1 1 83 83 ILE HG22 H 1 1.13 . . 1 . . . . A 83 ILE HG22 . 30388 1 801 . 1 1 83 83 ILE HG23 H 1 1.13 . . 1 . . . . A 83 ILE HG23 . 30388 1 802 . 1 1 83 83 ILE HD11 H 1 0.83 . . 1 . . . . A 83 ILE HD11 . 30388 1 803 . 1 1 83 83 ILE HD12 H 1 0.83 . . 1 . . . . A 83 ILE HD12 . 30388 1 804 . 1 1 83 83 ILE HD13 H 1 0.83 . . 1 . . . . A 83 ILE HD13 . 30388 1 805 . 1 1 83 83 ILE C C 13 175.70 . . 1 . . . . A 83 ILE C . 30388 1 806 . 1 1 83 83 ILE CA C 13 60.92 . . 1 . . . . A 83 ILE CA . 30388 1 807 . 1 1 83 83 ILE CB C 13 38.77 . . 1 . . . . A 83 ILE CB . 30388 1 808 . 1 1 83 83 ILE CG1 C 13 26.2 . . 1 . . . . A 83 ILE CG1 . 30388 1 809 . 1 1 83 83 ILE CG2 C 13 17.71 . . 1 . . . . A 83 ILE CG2 . 30388 1 810 . 1 1 83 83 ILE CD1 C 13 12.88 . . 1 . . . . A 83 ILE CD1 . 30388 1 811 . 1 1 83 83 ILE N N 15 121.33 . . 1 . . . . A 83 ILE N . 30388 1 812 . 1 1 84 84 THR H H 1 8.12 . . 1 . . . . A 84 THR H . 30388 1 813 . 1 1 84 84 THR HA H 1 4.31 . . 1 . . . . A 84 THR HA . 30388 1 814 . 1 1 84 84 THR HB H 1 4.10 . . 1 . . . . A 84 THR HB . 30388 1 815 . 1 1 84 84 THR HG21 H 1 1.13 . . 1 . . . . A 84 THR HG1 . 30388 1 816 . 1 1 84 84 THR HG22 H 1 1.13 . . 1 . . . . A 84 THR HG1 . 30388 1 817 . 1 1 84 84 THR HG23 H 1 1.13 . . 1 . . . . A 84 THR HG1 . 30388 1 818 . 1 1 84 84 THR CA C 13 61.37 . . 1 . . . . A 84 THR CA . 30388 1 819 . 1 1 84 84 THR CB C 13 70.00 . . 1 . . . . A 84 THR CB . 30388 1 820 . 1 1 84 84 THR CG2 C 13 21.5 . . 1 . . . . A 84 THR CG2 . 30388 1 821 . 1 1 84 84 THR N N 15 118.91 . . 1 . . . . A 84 THR N . 30388 1 822 . 1 1 85 85 CYS H H 1 8.27 . . 1 . . . . A 85 CYS H . 30388 1 823 . 1 1 85 85 CYS HA H 1 4.85 . . 1 . . . . A 85 CYS HA . 30388 1 824 . 1 1 85 85 CYS HB2 H 1 2.44 . . . . . . . A 85 CYS HB2 . 30388 1 825 . 1 1 85 85 CYS HB3 H 1 3.21 . . . . . . . A 85 CYS HB3 . 30388 1 826 . 1 1 85 85 CYS CA C 13 53.22 . . 1 . . . . A 85 CYS CA . 30388 1 827 . 1 1 85 85 CYS CB C 13 36.3 . . 1 . . . . A 85 CYS CB . 30388 1 828 . 1 1 85 85 CYS N N 15 122.49 . . 1 . . . . A 85 CYS N . 30388 1 829 . 1 1 86 86 SER H H 1 9.15 . . 1 . . . . A 86 SER H . 30388 1 830 . 1 1 86 86 SER HA H 1 4.66 . . 1 . . . . A 86 SER HA . 30388 1 831 . 1 1 86 86 SER HB2 H 1 3.84 . . . . . . . A 86 SER HB2 . 30388 1 832 . 1 1 86 86 SER HB3 H 1 4.06 . . . . . . . A 86 SER HB3 . 30388 1 833 . 1 1 86 86 SER CA C 13 57.82 . . 1 . . . . A 86 SER CA . 30388 1 834 . 1 1 86 86 SER CB C 13 62.67 . . 1 . . . . A 86 SER CB . 30388 1 835 . 1 1 86 86 SER N N 15 121.39 . . 1 . . . . A 86 SER N . 30388 1 836 . 1 1 87 87 PRO HA H 1 4.39 . . 1 . . . . A 87 PRO HA . 30388 1 837 . 1 1 87 87 PRO HB2 H 1 1.86 . . . . . . . A 87 PRO HB2 . 30388 1 838 . 1 1 87 87 PRO HB3 H 1 2.37 . . . . . . . A 87 PRO HB3 . 30388 1 839 . 1 1 87 87 PRO HG2 H 1 2.06 . . . . . . . A 87 PRO HG2 . 30388 1 840 . 1 1 87 87 PRO HG3 H 1 1.97 . . . . . . . A 87 PRO HG3 . 30388 1 841 . 1 1 87 87 PRO HD2 H 1 3.84 . . . . . . . A 87 PRO HD2 . 30388 1 842 . 1 1 87 87 PRO HD3 H 1 3.76 . . . . . . . A 87 PRO HD3 . 30388 1 843 . 1 1 87 87 PRO C C 13 177.00 . . 1 . . . . A 87 PRO C . 30388 1 844 . 1 1 87 87 PRO CA C 13 65.20 . . 1 . . . . A 87 PRO CA . 30388 1 845 . 1 1 87 87 PRO CB C 13 31.78 . . 1 . . . . A 87 PRO CB . 30388 1 846 . 1 1 87 87 PRO CG C 13 28.0 . . 1 . . . . A 87 PRO CG . 30388 1 847 . 1 1 87 87 PRO CD C 13 50.73 . . 1 . . . . A 87 PRO CD . 30388 1 848 . 1 1 88 88 ASP H H 1 7.93 . . 1 . . . . A 88 ASP H . 30388 1 849 . 1 1 88 88 ASP HA H 1 4.68 . . 1 . . . . A 88 ASP HA . 30388 1 850 . 1 1 88 88 ASP HB2 H 1 2.71 . . . . . . . A 88 ASP HB2 . 30388 1 851 . 1 1 88 88 ASP HB3 H 1 2.56 . . . . . . . A 88 ASP HB3 . 30388 1 852 . 1 1 88 88 ASP C C 13 174.79 . . 1 . . . . A 88 ASP C . 30388 1 853 . 1 1 88 88 ASP CA C 13 53.73 . . 1 . . . . A 88 ASP CA . 30388 1 854 . 1 1 88 88 ASP CB C 13 40.66 . . 1 . . . . A 88 ASP CB . 30388 1 855 . 1 1 88 88 ASP N N 15 114.08 . . 1 . . . . A 88 ASP N . 30388 1 856 . 1 1 89 89 GLU H H 1 7.97 . . 1 . . . . A 89 GLU H . 30388 1 857 . 1 1 89 89 GLU HA H 1 4.70 . . 1 . . . . A 89 GLU HA . 30388 1 858 . 1 1 89 89 GLU HB2 H 1 1.81 . . . . . . . A 89 GLU HB2 . 30388 1 859 . 1 1 89 89 GLU HB3 H 1 2.24 . . . . . . . A 89 GLU HB3 . 30388 1 860 . 1 1 89 89 GLU HG2 H 1 2.12 . . . . . . . A 89 GLU HG2 . 30388 1 861 . 1 1 89 89 GLU HG3 H 1 1.84 . . . . . . . A 89 GLU HG3 . 30388 1 862 . 1 1 89 89 GLU C C 13 173.51 . . 1 . . . . A 89 GLU C . 30388 1 863 . 1 1 89 89 GLU CA C 13 55.03 . . 1 . . . . A 89 GLU CA . 30388 1 864 . 1 1 89 89 GLU CB C 13 33.11 . . 1 . . . . A 89 GLU CB . 30388 1 865 . 1 1 89 89 GLU CG C 13 36.91 . . 1 . . . . A 89 GLU CG . 30388 1 866 . 1 1 89 89 GLU N N 15 120.79 . . 1 . . . . A 89 GLU N . 30388 1 867 . 1 1 90 90 PHE H H 1 9.43 . . 1 . . . . A 90 PHE H . 30388 1 868 . 1 1 90 90 PHE HA H 1 4.55 . . 1 . . . . A 90 PHE HA . 30388 1 869 . 1 1 90 90 PHE HB2 H 1 2.63 . . . . . . . A 90 PHE HB2 . 30388 1 870 . 1 1 90 90 PHE HB3 H 1 2.63 . . . . . . . A 90 PHE HB3 . 30388 1 871 . 1 1 90 90 PHE C C 13 172.05 . . 1 . . . . A 90 PHE C . 30388 1 872 . 1 1 90 90 PHE CA C 13 56.41 . . 1 . . . . A 90 PHE CA . 30388 1 873 . 1 1 90 90 PHE CB C 13 42.42 . . 1 . . . . A 90 PHE CB . 30388 1 874 . 1 1 90 90 PHE N N 15 122.77 . . 1 . . . . A 90 PHE N . 30388 1 875 . 1 1 91 91 THR H H 1 7.28 . . 1 . . . . A 91 THR H . 30388 1 876 . 1 1 91 91 THR HA H 1 4.53 . . 1 . . . . A 91 THR HA . 30388 1 877 . 1 1 91 91 THR HB H 1 3.64 . . 1 . . . . A 91 THR HB . 30388 1 878 . 1 1 91 91 THR HG21 H 1 1.06 . . 1 . . . . A 91 THR HG1 . 30388 1 879 . 1 1 91 91 THR HG22 H 1 1.06 . . 1 . . . . A 91 THR HG1 . 30388 1 880 . 1 1 91 91 THR HG23 H 1 1.06 . . 1 . . . . A 91 THR HG1 . 30388 1 881 . 1 1 91 91 THR C C 13 172.05 . . 1 . . . . A 91 THR C . 30388 1 882 . 1 1 91 91 THR CA C 13 61.10 . . 1 . . . . A 91 THR CA . 30388 1 883 . 1 1 91 91 THR CB C 13 68.47 . . 1 . . . . A 91 THR CB . 30388 1 884 . 1 1 91 91 THR CG2 C 13 20.55 . . 1 . . . . A 91 THR CG2 . 30388 1 885 . 1 1 91 91 THR N N 15 123.18 . . 1 . . . . A 91 THR N . 30388 1 886 . 1 1 92 92 CYS H H 1 8.90 . . 1 . . . . A 92 CYS H . 30388 1 887 . 1 1 92 92 CYS HA H 1 4.66 . . 1 . . . . A 92 CYS HA . 30388 1 888 . 1 1 92 92 CYS HB2 H 1 3.60 . . . . . . . A 92 CYS HB2 . 30388 1 889 . 1 1 92 92 CYS HB3 H 1 2.99 . . . . . . . A 92 CYS HB3 . 30388 1 890 . 1 1 92 92 CYS C C 13 177.52 . . 1 . . . . A 92 CYS C . 30388 1 891 . 1 1 92 92 CYS CA C 13 54.98 . . 1 . . . . A 92 CYS CA . 30388 1 892 . 1 1 92 92 CYS CB C 13 39.14 . . 1 . . . . A 92 CYS CB . 30388 1 893 . 1 1 92 92 CYS N N 15 126.11 . . 1 . . . . A 92 CYS N . 30388 1 894 . 1 1 93 93 SER H H 1 8.96 . . 1 . . . . A 93 SER H . 30388 1 895 . 1 1 93 93 SER HA H 1 4.15 . . 1 . . . . A 93 SER HA . 30388 1 896 . 1 1 93 93 SER HB2 H 1 3.96 . . . . . . . A 93 SER HB2 . 30388 1 897 . 1 1 93 93 SER HB3 H 1 3.91 . . . . . . . A 93 SER HB3 . 30388 1 898 . 1 1 93 93 SER C C 13 175.01 . . 1 . . . . A 93 SER C . 30388 1 899 . 1 1 93 93 SER CA C 13 61.97 . . 1 . . . . A 93 SER CA . 30388 1 900 . 1 1 93 93 SER CB C 13 62.0 . . 1 . . . . A 93 SER CB . 30388 1 901 . 1 1 93 93 SER N N 15 121.91 . . 1 . . . . A 93 SER N . 30388 1 902 . 1 1 94 94 SER H H 1 7.92 . . 1 . . . . A 94 SER H . 30388 1 903 . 1 1 94 94 SER HA H 1 4.20 . . 1 . . . . A 94 SER HA . 30388 1 904 . 1 1 94 94 SER HB2 H 1 3.89 . . . . . . . A 94 SER HB2 . 30388 1 905 . 1 1 94 94 SER HB3 H 1 4.03 . . . . . . . A 94 SER HB3 . 30388 1 906 . 1 1 94 94 SER C C 13 174.63 . . 1 . . . . A 94 SER C . 30388 1 907 . 1 1 94 94 SER CA C 13 58.65 . . 1 . . . . A 94 SER CA . 30388 1 908 . 1 1 94 94 SER CB C 13 64.07 . . 1 . . . . A 94 SER CB . 30388 1 909 . 1 1 94 94 SER N N 15 113.13 . . 1 . . . . A 94 SER N . 30388 1 910 . 1 1 95 95 GLY H H 1 8.03 . . 1 . . . . A 95 GLY H . 30388 1 911 . 1 1 95 95 GLY HA2 H 1 4.38 . . . . . . . A 95 GLY HA2 . 30388 1 912 . 1 1 95 95 GLY HA3 H 1 3.36 . . . . . . . A 95 GLY HA3 . 30388 1 913 . 1 1 95 95 GLY C C 13 171.48 . . 1 . . . . A 95 GLY C . 30388 1 914 . 1 1 95 95 GLY CA C 13 44.84 . . 1 . . . . A 95 GLY CA . 30388 1 915 . 1 1 95 95 GLY N N 15 111.07 . . 1 . . . . A 95 GLY N . 30388 1 916 . 1 1 96 96 ARG H H 1 7.03 . . 1 . . . . A 96 ARG H . 30388 1 917 . 1 1 96 96 ARG HA H 1 4.15 . . 1 . . . . A 96 ARG HA . 30388 1 918 . 1 1 96 96 ARG HB2 H 1 1.64 . . . . . . . A 96 ARG HB2 . 30388 1 919 . 1 1 96 96 ARG HB3 H 1 1.73 . . . . . . . A 96 ARG HB3 . 30388 1 920 . 1 1 96 96 ARG HG2 H 1 1.54 . . . . . . . A 96 ARG HG2 . 30388 1 921 . 1 1 96 96 ARG HG3 H 1 1.64 . . . . . . . A 96 ARG HG3 . 30388 1 922 . 1 1 96 96 ARG HD2 H 1 3.18 . . . . . . . A 96 ARG HD2 . 30388 1 923 . 1 1 96 96 ARG HD3 H 1 3.18 . . . . . . . A 96 ARG HD3 . 30388 1 924 . 1 1 96 96 ARG C C 13 172.54 . . 1 . . . . A 96 ARG C . 30388 1 925 . 1 1 96 96 ARG CA C 13 56.45 . . 1 . . . . A 96 ARG CA . 30388 1 926 . 1 1 96 96 ARG CB C 13 31.59 . . 1 . . . . A 96 ARG CB . 30388 1 927 . 1 1 96 96 ARG CG C 13 27.13 . . 1 . . . . A 96 ARG CG . 30388 1 928 . 1 1 96 96 ARG CD C 13 43.51 . . 1 . . . . A 96 ARG CD . 30388 1 929 . 1 1 96 96 ARG N N 15 119.56 . . 1 . . . . A 96 ARG N . 30388 1 930 . 1 1 97 97 CYS H H 1 8.40 . . 1 . . . . A 97 CYS H . 30388 1 931 . 1 1 97 97 CYS HA H 1 5.48 . . 1 . . . . A 97 CYS HA . 30388 1 932 . 1 1 97 97 CYS HB2 H 1 2.86 . . . . . . . A 97 CYS HB2 . 30388 1 933 . 1 1 97 97 CYS HB3 H 1 2.62 . . . . . . . A 97 CYS HB3 . 30388 1 934 . 1 1 97 97 CYS C C 13 175.41 . . 1 . . . . A 97 CYS C . 30388 1 935 . 1 1 97 97 CYS CA C 13 53.09 . . 1 . . . . A 97 CYS CA . 30388 1 936 . 1 1 97 97 CYS CB C 13 40.61 . . 1 . . . . A 97 CYS CB . 30388 1 937 . 1 1 97 97 CYS N N 15 122.56 . . 1 . . . . A 97 CYS N . 30388 1 938 . 1 1 98 98 ILE H H 1 8.92 . . 1 . . . . A 98 ILE H . 30388 1 939 . 1 1 98 98 ILE HA H 1 4.95 . . 1 . . . . A 98 ILE HA . 30388 1 940 . 1 1 98 98 ILE HB H 1 1.96 . . 1 . . . . A 98 ILE HB . 30388 1 941 . 1 1 98 98 ILE HG12 H 1 1.27 . . . . . . . A 98 ILE HG12 . 30388 1 942 . 1 1 98 98 ILE HG13 H 1 1.55 . . . . . . . A 98 ILE HG13 . 30388 1 943 . 1 1 98 98 ILE HG21 H 1 0.91 . . 1 . . . . A 98 ILE HG21 . 30388 1 944 . 1 1 98 98 ILE HG22 H 1 0.91 . . 1 . . . . A 98 ILE HG22 . 30388 1 945 . 1 1 98 98 ILE HG23 H 1 0.91 . . 1 . . . . A 98 ILE HG23 . 30388 1 946 . 1 1 98 98 ILE HD11 H 1 0.81 . . 1 . . . . A 98 ILE HD11 . 30388 1 947 . 1 1 98 98 ILE HD12 H 1 0.81 . . 1 . . . . A 98 ILE HD12 . 30388 1 948 . 1 1 98 98 ILE HD13 H 1 0.81 . . 1 . . . . A 98 ILE HD13 . 30388 1 949 . 1 1 98 98 ILE C C 13 174.17 . . 1 . . . . A 98 ILE C . 30388 1 950 . 1 1 98 98 ILE CA C 13 58.94 . . 1 . . . . A 98 ILE CA . 30388 1 951 . 1 1 98 98 ILE CB C 13 43.52 . . 1 . . . . A 98 ILE CB . 30388 1 952 . 1 1 98 98 ILE CG1 C 13 25.91 . . 1 . . . . A 98 ILE CG1 . 30388 1 953 . 1 1 98 98 ILE CG2 C 13 17.40 . . 1 . . . . A 98 ILE CG2 . 30388 1 954 . 1 1 98 98 ILE CD1 C 13 16.2 . . 1 . . . . A 98 ILE CD1 . 30388 1 955 . 1 1 98 98 ILE N N 15 116.61 . . 1 . . . . A 98 ILE N . 30388 1 956 . 1 1 99 99 SER H H 1 8.46 . . 1 . . . . A 99 SER H . 30388 1 957 . 1 1 99 99 SER HA H 1 4.26 . . 1 . . . . A 99 SER HA . 30388 1 958 . 1 1 99 99 SER HB2 H 1 3.80 . . . . . . . A 99 SER HB2 . 30388 1 959 . 1 1 99 99 SER HB3 H 1 3.22 . . . . . . . A 99 SER HB3 . 30388 1 960 . 1 1 99 99 SER HG H 1 4.67 . . 1 . . . . A 99 SER HG . 30388 1 961 . 1 1 99 99 SER C C 13 177.21 . . 1 . . . . A 99 SER C . 30388 1 962 . 1 1 99 99 SER CA C 13 58.97 . . 1 . . . . A 99 SER CA . 30388 1 963 . 1 1 99 99 SER CB C 13 63.10 . . 1 . . . . A 99 SER CB . 30388 1 964 . 1 1 99 99 SER N N 15 115.32 . . 1 . . . . A 99 SER N . 30388 1 965 . 1 1 100 100 ARG H H 1 8.57 . . 1 . . . . A 100 ARG H . 30388 1 966 . 1 1 100 100 ARG HA H 1 4.35 . . 1 . . . . A 100 ARG HA . 30388 1 967 . 1 1 100 100 ARG HB2 H 1 1.68 . . . . . . . A 100 ARG HB2 . 30388 1 968 . 1 1 100 100 ARG HB3 H 1 1.80 . . . . . . . A 100 ARG HB3 . 30388 1 969 . 1 1 100 100 ARG HG2 H 1 1.64 . . . . . . . A 100 ARG HG2 . 30388 1 970 . 1 1 100 100 ARG HG3 H 1 1.64 . . . . . . . A 100 ARG HG3 . 30388 1 971 . 1 1 100 100 ARG HD2 H 1 3.13 . . . . . . . A 100 ARG HD2 . 30388 1 972 . 1 1 100 100 ARG HD3 H 1 3.19 . . . . . . . A 100 ARG HD3 . 30388 1 973 . 1 1 100 100 ARG C C 13 175.77 . . 1 . . . . A 100 ARG C . 30388 1 974 . 1 1 100 100 ARG CA C 13 59.46 . . 1 . . . . A 100 ARG CA . 30388 1 975 . 1 1 100 100 ARG CB C 13 29.31 . . 1 . . . . A 100 ARG CB . 30388 1 976 . 1 1 100 100 ARG CG C 13 27.7 . . 1 . . . . A 100 ARG CG . 30388 1 977 . 1 1 100 100 ARG CD C 13 43.20 . . 1 . . . . A 100 ARG CD . 30388 1 978 . 1 1 100 100 ARG N N 15 125.72 . . 1 . . . . A 100 ARG N . 30388 1 979 . 1 1 101 101 ASN H H 1 8.24 . . 1 . . . . A 101 ASN H . 30388 1 980 . 1 1 101 101 ASN HA H 1 4.40 . . 1 . . . . A 101 ASN HA . 30388 1 981 . 1 1 101 101 ASN HB2 H 1 2.55 . . . . . . . A 101 ASN HB2 . 30388 1 982 . 1 1 101 101 ASN HB3 H 1 2.31 . . . . . . . A 101 ASN HB3 . 30388 1 983 . 1 1 101 101 ASN HD21 H 1 6.65 . . . . . . . A 101 ASN HD21 . 30388 1 984 . 1 1 101 101 ASN HD22 H 1 7.25 . . . . . . . A 101 ASN HD22 . 30388 1 985 . 1 1 101 101 ASN C C 13 175.17 . . 1 . . . . A 101 ASN C . 30388 1 986 . 1 1 101 101 ASN CA C 13 54.97 . . 1 . . . . A 101 ASN CA . 30388 1 987 . 1 1 101 101 ASN CB C 13 37.23 . . 1 . . . . A 101 ASN CB . 30388 1 988 . 1 1 101 101 ASN N N 15 116.94 . . 1 . . . . A 101 ASN N . 30388 1 989 . 1 1 101 101 ASN ND2 N 15 112.54 . . 1 . . . . A 101 ASN ND2 . 30388 1 990 . 1 1 102 102 PHE H H 1 7.68 . . 1 . . . . A 102 PHE H . 30388 1 991 . 1 1 102 102 PHE HA H 1 4.67 . . 1 . . . . A 102 PHE HA . 30388 1 992 . 1 1 102 102 PHE HB2 H 1 3.79 . . . . . . . A 102 PHE HB2 . 30388 1 993 . 1 1 102 102 PHE HB3 H 1 2.99 . . . . . . . A 102 PHE HB3 . 30388 1 994 . 1 1 102 102 PHE C C 13 176.76 . . 1 . . . . A 102 PHE C . 30388 1 995 . 1 1 102 102 PHE CA C 13 55.28 . . 1 . . . . A 102 PHE CA . 30388 1 996 . 1 1 102 102 PHE CB C 13 37.50 . . 1 . . . . A 102 PHE CB . 30388 1 997 . 1 1 102 102 PHE N N 15 115.53 . . 1 . . . . A 102 PHE N . 30388 1 998 . 1 1 103 103 VAL H H 1 7.64 . . 1 . . . . A 103 VAL H . 30388 1 999 . 1 1 103 103 VAL HA H 1 3.70 . . 1 . . . . A 103 VAL HA . 30388 1 1000 . 1 1 103 103 VAL HB H 1 2.01 . . 1 . . . . A 103 VAL HB . 30388 1 1001 . 1 1 103 103 VAL HG11 H 1 0.72 . . . . . . . A 103 VAL HG11 . 30388 1 1002 . 1 1 103 103 VAL HG12 H 1 0.72 . . . . . . . A 103 VAL HG12 . 30388 1 1003 . 1 1 103 103 VAL HG13 H 1 0.72 . . . . . . . A 103 VAL HG13 . 30388 1 1004 . 1 1 103 103 VAL HG21 H 1 0.45 . . . . . . . A 103 VAL HG21 . 30388 1 1005 . 1 1 103 103 VAL HG22 H 1 0.45 . . . . . . . A 103 VAL HG22 . 30388 1 1006 . 1 1 103 103 VAL HG23 H 1 0.45 . . . . . . . A 103 VAL HG23 . 30388 1 1007 . 1 1 103 103 VAL C C 13 173.52 . . 1 . . . . A 103 VAL C . 30388 1 1008 . 1 1 103 103 VAL CA C 13 63.52 . . 1 . . . . A 103 VAL CA . 30388 1 1009 . 1 1 103 103 VAL CB C 13 31.45 . . 1 . . . . A 103 VAL CB . 30388 1 1010 . 1 1 103 103 VAL CG1 C 13 21.24 . . . . . . . A 103 VAL CG1 . 30388 1 1011 . 1 1 103 103 VAL CG2 C 13 23.25 . . . . . . . A 103 VAL CG2 . 30388 1 1012 . 1 1 103 103 VAL N N 15 128.61 . . 1 . . . . A 103 VAL N . 30388 1 1013 . 1 1 104 104 CYS H H 1 8.65 . . 1 . . . . A 104 CYS H . 30388 1 1014 . 1 1 104 104 CYS HA H 1 4.77 . . 1 . . . . A 104 CYS HA . 30388 1 1015 . 1 1 104 104 CYS HB2 H 1 2.90 . . . . . . . A 104 CYS HB2 . 30388 1 1016 . 1 1 104 104 CYS HB3 H 1 3.16 . . . . . . . A 104 CYS HB3 . 30388 1 1017 . 1 1 104 104 CYS C C 13 174.28 . . 1 . . . . A 104 CYS C . 30388 1 1018 . 1 1 104 104 CYS CA C 13 56.09 . . 1 . . . . A 104 CYS CA . 30388 1 1019 . 1 1 104 104 CYS CB C 13 36.02 . . 1 . . . . A 104 CYS CB . 30388 1 1020 . 1 1 104 104 CYS N N 15 124.83 . . 1 . . . . A 104 CYS N . 30388 1 1021 . 1 1 105 105 ASN H H 1 9.82 . . 1 . . . . A 105 ASN H . 30388 1 1022 . 1 1 105 105 ASN HA H 1 4.96 . . 1 . . . . A 105 ASN HA . 30388 1 1023 . 1 1 105 105 ASN HB2 H 1 3.35 . . . . . . . A 105 ASN HB2 . 30388 1 1024 . 1 1 105 105 ASN HB3 H 1 2.51 . . . . . . . A 105 ASN HB3 . 30388 1 1025 . 1 1 105 105 ASN HD21 H 1 8.48 . . . . . . . A 105 ASN HD21 . 30388 1 1026 . 1 1 105 105 ASN HD22 H 1 7.74 . . . . . . . A 105 ASN HD22 . 30388 1 1027 . 1 1 105 105 ASN C C 13 176.94 . . 1 . . . . A 105 ASN C . 30388 1 1028 . 1 1 105 105 ASN CA C 13 51.09 . . 1 . . . . A 105 ASN CA . 30388 1 1029 . 1 1 105 105 ASN CB C 13 39.65 . . 1 . . . . A 105 ASN CB . 30388 1 1030 . 1 1 105 105 ASN N N 15 119.50 . . 1 . . . . A 105 ASN N . 30388 1 1031 . 1 1 105 105 ASN ND2 N 15 118.32 . . 1 . . . . A 105 ASN ND2 . 30388 1 1032 . 1 1 106 106 GLY H H 1 9.31 . . 1 . . . . A 106 GLY H . 30388 1 1033 . 1 1 106 106 GLY HA2 H 1 4.08 . . . . . . . A 106 GLY HA2 . 30388 1 1034 . 1 1 106 106 GLY HA3 H 1 3.50 . . . . . . . A 106 GLY HA3 . 30388 1 1035 . 1 1 106 106 GLY C C 13 171.21 . . 1 . . . . A 106 GLY C . 30388 1 1036 . 1 1 106 106 GLY CA C 13 45.67 . . 1 . . . . A 106 GLY CA . 30388 1 1037 . 1 1 106 106 GLY N N 15 110.91 . . 1 . . . . A 106 GLY N . 30388 1 1038 . 1 1 107 107 GLN H H 1 7.04 . . 1 . . . . A 107 GLN H . 30388 1 1039 . 1 1 107 107 GLN HA H 1 4.59 . . 1 . . . . A 107 GLN HA . 30388 1 1040 . 1 1 107 107 GLN HB2 H 1 1.80 . . . . . . . A 107 GLN HB2 . 30388 1 1041 . 1 1 107 107 GLN HB3 H 1 1.80 . . . . . . . A 107 GLN HB3 . 30388 1 1042 . 1 1 107 107 GLN HG2 H 1 2.05 . . . . . . . A 107 GLN HG2 . 30388 1 1043 . 1 1 107 107 GLN HG3 H 1 2.05 . . . . . . . A 107 GLN HG3 . 30388 1 1044 . 1 1 107 107 GLN HE21 H 1 6.63 . . . . . . . A 107 GLN HE21 . 30388 1 1045 . 1 1 107 107 GLN HE22 H 1 7.54 . . . . . . . A 107 GLN HE22 . 30388 1 1046 . 1 1 107 107 GLN C C 13 173.60 . . 1 . . . . A 107 GLN C . 30388 1 1047 . 1 1 107 107 GLN CA C 13 53.29 . . 1 . . . . A 107 GLN CA . 30388 1 1048 . 1 1 107 107 GLN CB C 13 31.48 . . 1 . . . . A 107 GLN CB . 30388 1 1049 . 1 1 107 107 GLN CG C 13 33.05 . . 1 . . . . A 107 GLN CG . 30388 1 1050 . 1 1 107 107 GLN N N 15 115.58 . . 1 . . . . A 107 GLN N . 30388 1 1051 . 1 1 107 107 GLN NE2 N 15 112.44 . . 1 . . . . A 107 GLN NE2 . 30388 1 1052 . 1 1 108 108 ASP H H 1 9.29 . . 1 . . . . A 108 ASP H . 30388 1 1053 . 1 1 108 108 ASP HA H 1 4.64 . . 1 . . . . A 108 ASP HA . 30388 1 1054 . 1 1 108 108 ASP HB2 H 1 2.68 . . . . . . . A 108 ASP HB2 . 30388 1 1055 . 1 1 108 108 ASP HB3 H 1 2.68 . . . . . . . A 108 ASP HB3 . 30388 1 1056 . 1 1 108 108 ASP C C 13 173.69 . . 1 . . . . A 108 ASP C . 30388 1 1057 . 1 1 108 108 ASP CA C 13 54.34 . . 1 . . . . A 108 ASP CA . 30388 1 1058 . 1 1 108 108 ASP CB C 13 39.28 . . 1 . . . . A 108 ASP CB . 30388 1 1059 . 1 1 108 108 ASP N N 15 129.00 . . 1 . . . . A 108 ASP N . 30388 1 1060 . 1 1 109 109 ASP H H 1 9.99 . . 1 . . . . A 109 ASP H . 30388 1 1061 . 1 1 109 109 ASP HA H 1 4.65 . . 1 . . . . A 109 ASP HA . 30388 1 1062 . 1 1 109 109 ASP HB2 H 1 2.50 . . . . . . . A 109 ASP HB2 . 30388 1 1063 . 1 1 109 109 ASP HB3 H 1 2.50 . . . . . . . A 109 ASP HB3 . 30388 1 1064 . 1 1 109 109 ASP C C 13 177.28 . . 1 . . . . A 109 ASP C . 30388 1 1065 . 1 1 109 109 ASP CA C 13 56.00 . . 1 . . . . A 109 ASP CA . 30388 1 1066 . 1 1 109 109 ASP CB C 13 43.57 . . 1 . . . . A 109 ASP CB . 30388 1 1067 . 1 1 109 109 ASP N N 15 128.19 . . 1 . . . . A 109 ASP N . 30388 1 1068 . 1 1 110 110 CYS H H 1 8.41 . . 1 . . . . A 110 CYS H . 30388 1 1069 . 1 1 110 110 CYS HA H 1 4.66 . . 1 . . . . A 110 CYS HA . 30388 1 1070 . 1 1 110 110 CYS HB2 H 1 3.54 . . . . . . . A 110 CYS HB2 . 30388 1 1071 . 1 1 110 110 CYS HB3 H 1 3.13 . . . . . . . A 110 CYS HB3 . 30388 1 1072 . 1 1 110 110 CYS CA C 13 55.62 . . 1 . . . . A 110 CYS CA . 30388 1 1073 . 1 1 110 110 CYS CB C 13 41.16 . . 1 . . . . A 110 CYS CB . 30388 1 1074 . 1 1 110 110 CYS N N 15 118.83 . . 1 . . . . A 110 CYS N . 30388 1 1075 . 1 1 111 111 SER HA H 1 4.03 . . 1 . . . . A 111 SER HA . 30388 1 1076 . 1 1 111 111 SER HB2 H 1 4.03 . . . . . . . A 111 SER HB2 . 30388 1 1077 . 1 1 111 111 SER HB3 H 1 4.03 . . . . . . . A 111 SER HB3 . 30388 1 1078 . 1 1 111 111 SER HG H 1 4.68 . . 1 . . . . A 111 SER HG . 30388 1 1079 . 1 1 111 111 SER C C 13 171.67 . . 1 . . . . A 111 SER C . 30388 1 1080 . 1 1 111 111 SER CA C 13 62.21 . . 1 . . . . A 111 SER CA . 30388 1 1081 . 1 1 111 111 SER CB C 13 62.19 . . 1 . . . . A 111 SER CB . 30388 1 1082 . 1 1 112 112 ASP H H 1 7.39 . . 1 . . . . A 112 ASP H . 30388 1 1083 . 1 1 112 112 ASP HA H 1 4.72 . . 1 . . . . A 112 ASP HA . 30388 1 1084 . 1 1 112 112 ASP HB2 H 1 2.49 . . . . . . . A 112 ASP HB2 . 30388 1 1085 . 1 1 112 112 ASP HB3 H 1 3.12 . . . . . . . A 112 ASP HB3 . 30388 1 1086 . 1 1 112 112 ASP C C 13 178.46 . . 1 . . . . A 112 ASP C . 30388 1 1087 . 1 1 112 112 ASP CA C 13 52.50 . . 1 . . . . A 112 ASP CA . 30388 1 1088 . 1 1 112 112 ASP CB C 13 41.88 . . 1 . . . . A 112 ASP CB . 30388 1 1089 . 1 1 112 112 ASP N N 15 117.43 . . 1 . . . . A 112 ASP N . 30388 1 1090 . 1 1 113 113 GLY H H 1 8.71 . . 1 . . . . A 113 GLY H . 30388 1 1091 . 1 1 113 113 GLY HA2 H 1 4.00 . . . . . . . A 113 GLY HA2 . 30388 1 1092 . 1 1 113 113 GLY HA3 H 1 3.53 . . . . . . . A 113 GLY HA3 . 30388 1 1093 . 1 1 113 113 GLY C C 13 177.52 . . 1 . . . . A 113 GLY C . 30388 1 1094 . 1 1 113 113 GLY CA C 13 46.10 . . 1 . . . . A 113 GLY CA . 30388 1 1095 . 1 1 113 113 GLY N N 15 109.01 . . 1 . . . . A 113 GLY N . 30388 1 1096 . 1 1 114 114 SER H H 1 8.86 . . 1 . . . . A 114 SER H . 30388 1 1097 . 1 1 114 114 SER HA H 1 4.29 . . 1 . . . . A 114 SER HA . 30388 1 1098 . 1 1 114 114 SER HB2 H 1 4.04 . . . . . . . A 114 SER HB2 . 30388 1 1099 . 1 1 114 114 SER HB3 H 1 4.04 . . . . . . . A 114 SER HB3 . 30388 1 1100 . 1 1 114 114 SER HG H 1 4.66 . . 1 . . . . A 114 SER HG . 30388 1 1101 . 1 1 114 114 SER C C 13 174.33 . . 1 . . . . A 114 SER C . 30388 1 1102 . 1 1 114 114 SER CA C 13 61.98 . . 1 . . . . A 114 SER CA . 30388 1 1103 . 1 1 114 114 SER CB C 13 62.87 . . 1 . . . . A 114 SER CB . 30388 1 1104 . 1 1 114 114 SER N N 15 116.62 . . 1 . . . . A 114 SER N . 30388 1 1105 . 1 1 115 115 ASP H H 1 9.85 . . 1 . . . . A 115 ASP H . 30388 1 1106 . 1 1 115 115 ASP HA H 1 3.96 . . 1 . . . . A 115 ASP HA . 30388 1 1107 . 1 1 115 115 ASP HB2 H 1 2.68 . . . . . . . A 115 ASP HB2 . 30388 1 1108 . 1 1 115 115 ASP HB3 H 1 2.36 . . . . . . . A 115 ASP HB3 . 30388 1 1109 . 1 1 115 115 ASP C C 13 173.87 . . 1 . . . . A 115 ASP C . 30388 1 1110 . 1 1 115 115 ASP CA C 13 54.37 . . 1 . . . . A 115 ASP CA . 30388 1 1111 . 1 1 115 115 ASP CB C 13 40.19 . . 1 . . . . A 115 ASP CB . 30388 1 1112 . 1 1 115 115 ASP N N 15 115.75 . . 1 . . . . A 115 ASP N . 30388 1 1113 . 1 1 116 116 GLU H H 1 7.55 . . 1 . . . . A 116 GLU H . 30388 1 1114 . 1 1 116 116 GLU HA H 1 4.60 . . 1 . . . . A 116 GLU HA . 30388 1 1115 . 1 1 116 116 GLU HB2 H 1 2.45 . . . . . . . A 116 GLU HB2 . 30388 1 1116 . 1 1 116 116 GLU HB3 H 1 1.49 . . . . . . . A 116 GLU HB3 . 30388 1 1117 . 1 1 116 116 GLU HG2 H 1 2.08 . . . . . . . A 116 GLU HG2 . 30388 1 1118 . 1 1 116 116 GLU HG3 H 1 1.91 . . . . . . . A 116 GLU HG3 . 30388 1 1119 . 1 1 116 116 GLU C C 13 175.48 . . 1 . . . . A 116 GLU C . 30388 1 1120 . 1 1 116 116 GLU CA C 13 54.30 . . 1 . . . . A 116 GLU CA . 30388 1 1121 . 1 1 116 116 GLU CB C 13 30.08 . . 1 . . . . A 116 GLU CB . 30388 1 1122 . 1 1 116 116 GLU CG C 13 36.76 . . 1 . . . . A 116 GLU CG . 30388 1 1123 . 1 1 116 116 GLU N N 15 117.20 . . 1 . . . . A 116 GLU N . 30388 1 1124 . 1 1 117 117 LEU H H 1 6.89 . . 1 . . . . A 117 LEU H . 30388 1 1125 . 1 1 117 117 LEU HA H 1 4.28 . . 1 . . . . A 117 LEU HA . 30388 1 1126 . 1 1 117 117 LEU HB2 H 1 1.64 . . . . . . . A 117 LEU HB2 . 30388 1 1127 . 1 1 117 117 LEU HB3 H 1 1.52 . . . . . . . A 117 LEU HB3 . 30388 1 1128 . 1 1 117 117 LEU HG H 1 1.66 . . 1 . . . . A 117 LEU HG . 30388 1 1129 . 1 1 117 117 LEU HD11 H 1 0.83 . . . . . . . A 117 LEU HD11 . 30388 1 1130 . 1 1 117 117 LEU HD12 H 1 0.83 . . . . . . . A 117 LEU HD12 . 30388 1 1131 . 1 1 117 117 LEU HD13 H 1 0.83 . . . . . . . A 117 LEU HD13 . 30388 1 1132 . 1 1 117 117 LEU HD21 H 1 0.86 . . . . . . . A 117 LEU HD21 . 30388 1 1133 . 1 1 117 117 LEU HD22 H 1 0.86 . . . . . . . A 117 LEU HD22 . 30388 1 1134 . 1 1 117 117 LEU HD23 H 1 0.86 . . . . . . . A 117 LEU HD23 . 30388 1 1135 . 1 1 117 117 LEU C C 13 176.63 . . 1 . . . . A 117 LEU C . 30388 1 1136 . 1 1 117 117 LEU CA C 13 55.45 . . 1 . . . . A 117 LEU CA . 30388 1 1137 . 1 1 117 117 LEU CB C 13 43.52 . . 1 . . . . A 117 LEU CB . 30388 1 1138 . 1 1 117 117 LEU CG C 13 26.52 . . 1 . . . . A 117 LEU CG . 30388 1 1139 . 1 1 117 117 LEU CD1 C 13 23.25 . . . . . . . A 117 LEU CD1 . 30388 1 1140 . 1 1 117 117 LEU CD2 C 13 24.79 . . . . . . . A 117 LEU CD2 . 30388 1 1141 . 1 1 117 117 LEU N N 15 120.84 . . 1 . . . . A 117 LEU N . 30388 1 1142 . 1 1 118 118 ASP H H 1 8.54 . . 1 . . . . A 118 ASP H . 30388 1 1143 . 1 1 118 118 ASP HA H 1 4.55 . . 1 . . . . A 118 ASP HA . 30388 1 1144 . 1 1 118 118 ASP HB2 H 1 2.81 . . . . . . . A 118 ASP HB2 . 30388 1 1145 . 1 1 118 118 ASP HB3 H 1 2.46 . . . . . . . A 118 ASP HB3 . 30388 1 1146 . 1 1 118 118 ASP C C 13 175.14 . . 1 . . . . A 118 ASP C . 30388 1 1147 . 1 1 118 118 ASP CA C 13 54.06 . . 1 . . . . A 118 ASP CA . 30388 1 1148 . 1 1 118 118 ASP CB C 13 39.77 . . 1 . . . . A 118 ASP CB . 30388 1 1149 . 1 1 118 118 ASP N N 15 119.71 . . 1 . . . . A 118 ASP N . 30388 1 1150 . 1 1 119 119 CYS H H 1 7.90 . . 1 . . . . A 119 CYS H . 30388 1 1151 . 1 1 119 119 CYS HA H 1 4.66 . . 1 . . . . A 119 CYS HA . 30388 1 1152 . 1 1 119 119 CYS HB2 H 1 2.59 . . . . . . . A 119 CYS HB2 . 30388 1 1153 . 1 1 119 119 CYS HB3 H 1 3.03 . . . . . . . A 119 CYS HB3 . 30388 1 1154 . 1 1 119 119 CYS CA C 13 54.33 . . 1 . . . . A 119 CYS CA . 30388 1 1155 . 1 1 119 119 CYS CB C 13 39.82 . . 1 . . . . A 119 CYS CB . 30388 1 1156 . 1 1 119 119 CYS N N 15 117.29 . . 1 . . . . A 119 CYS N . 30388 1 1157 . 1 1 120 120 ALA H H 1 8.33 . . 1 . . . . A 120 ALA H . 30388 1 1158 . 1 1 120 120 ALA HA H 1 4.53 . . 1 . . . . A 120 ALA HA . 30388 1 1159 . 1 1 120 120 ALA HB1 H 1 1.27 . . 1 . . . . A 120 ALA HB1 . 30388 1 1160 . 1 1 120 120 ALA HB2 H 1 1.27 . . 1 . . . . A 120 ALA HB2 . 30388 1 1161 . 1 1 120 120 ALA HB3 H 1 1.27 . . 1 . . . . A 120 ALA HB3 . 30388 1 1162 . 1 1 120 120 ALA CA C 13 50.89 . . 1 . . . . A 120 ALA CA . 30388 1 1163 . 1 1 120 120 ALA CB C 13 18.03 . . 1 . . . . A 120 ALA CB . 30388 1 1164 . 1 1 120 120 ALA N N 15 126.42 . . 1 . . . . A 120 ALA N . 30388 1 1165 . 1 1 121 121 PRO HA H 1 4.28 . . 1 . . . . A 121 PRO HA . 30388 1 1166 . 1 1 121 121 PRO HB2 H 1 2.17 . . . . . . . A 121 PRO HB2 . 30388 1 1167 . 1 1 121 121 PRO HB3 H 1 1.64 . . . . . . . A 121 PRO HB3 . 30388 1 1168 . 1 1 121 121 PRO HG2 H 1 1.92 . . . . . . . A 121 PRO HG2 . 30388 1 1169 . 1 1 121 121 PRO HG3 H 1 1.92 . . . . . . . A 121 PRO HG3 . 30388 1 1170 . 1 1 121 121 PRO HD2 H 1 3.54 . . . . . . . A 121 PRO HD2 . 30388 1 1171 . 1 1 121 121 PRO HD3 H 1 3.72 . . . . . . . A 121 PRO HD3 . 30388 1 1172 . 1 1 121 121 PRO CA C 13 63.57 . . 1 . . . . A 121 PRO CA . 30388 1 1173 . 1 1 121 121 PRO CB C 13 31.91 . . 1 . . . . A 121 PRO CB . 30388 1 1174 . 1 1 121 121 PRO CG C 13 27.37 . . 1 . . . . A 121 PRO CG . 30388 1 1175 . 1 1 121 121 PRO CD C 13 50.45 . . 1 . . . . A 121 PRO CD . 30388 1 stop_ save_