data_4940 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4940 _Entry.Title ; 1H, 13C and 15N chemical shift assignment of the honeybee pheromone carrier protein ASP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-01-17 _Entry.Accession_date 2001-01-17 _Entry.Last_release_date 2001-01-17 _Entry.Original_release_date 2001-01-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Nicolas Birlirakis . . . . 4940 2 Loic Briand . . . . 4940 3 Jean-Claude Pernollet . . . . 4940 4 Eric Guittet . . . . 4940 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4940 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 386 4940 '15N chemical shifts' 101 4940 '1H chemical shifts' 688 4940 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 . . 2001-06-29 . original BMRB . 4940 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4940 _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 ; Letter to the Editor: 1H, 13C and 15N chemical shift assignment of the honeybee pheromone carrier protein ASP1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 183 _Citation.Page_last 184 _Citation.Year 2001 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nicolas Birlirakis . . . . 4940 1 2 Loic Briand . . . . 4940 1 3 Jean-Claude Pernollet . . . . 4940 1 4 Eric Guittet . . . . 4940 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Apis mellifera L.' 4940 1 Insect 4940 1 Olfaction 4940 1 'Pheromone-binding protein.' 4940 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ASP1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ASP1 _Assembly.Entry_ID 4940 _Assembly.ID 1 _Assembly.Name 'Antennal Specific Protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4940 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ASP1 1 $ASP1 . . . native . . . . . 4940 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 20 20 SG . 1 . 1 CYS 51 51 SG . . . . . . . . . . . . 4940 1 2 disulfide single . 1 . 1 CYS 47 47 SG . 1 . 1 CYS 107 107 SG . . . . . . . . . . . . 4940 1 3 disulfide single . 1 . 1 CYS 89 89 SG . 1 . 1 CYS 98 98 SG . . . . . . . . . . . . 4940 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID ASP1 abbreviation 4940 1 'Antennal Specific Protein 1' system 4940 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Honeybee pheromone carrier protein' 4940 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ASP1 _Entity.Sf_category entity _Entity.Sf_framecode ASP1 _Entity.Entry_ID 4940 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Antennal Specific Protein 1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; APDWVPPEVFDLVAEDKARC MSEHGTTQAQIDDVDKGNLV NEPSITCYMYCLLEAFSLVD DEANVDEDIMLGLLPDQLQE RAQSVMGKCLPTSGSDNCNK IYNLAKCVQESAPDVWFVI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13180 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . no PDB 2H8V . 'Structure Of Empty Pheromone Binding Protein Asp1 From The Honeybee Apis Mellifera L' . . . . . 100.00 119 100.00 100.00 4.97e-64 . . . . 4940 1 . no PDB 3BFA . 'Crystal Structure Of A Pheromone Binding Protein From Apis Mellifera In Complex With The Queen Mandibular Pheromone' . . . . . 100.00 119 100.00 100.00 4.97e-64 . . . . 4940 1 . no PDB 3BFB . 'Crystal Structure Of A Pheromone Binding Protein From Apis Mellifera In Complex With The 9-Keto-2(E)-Decenoic Acid' . . . . . 100.00 119 100.00 100.00 4.97e-64 . . . . 4940 1 . no PDB 3BFH . 'Crystal Structure Of A Pheromone Binding Protein From Apis Mellifera In Complex With Hexadecanoic Acid' . . . . . 100.00 119 100.00 100.00 4.97e-64 . . . . 4940 1 . no PDB 3BJH . 'Soft-Sad Crystal Structure Of A Pheromone Binding Protein From The Honeybee Apis Mellifera L.' . . . . . 100.00 119 100.00 100.00 4.97e-64 . . . . 4940 1 . no PDB 3CAB . 'Crystal Structure Of A Pheromone Binding Protein From Apis Mellifera Soaked At Ph 7.0' . . . . . 100.00 119 100.00 100.00 4.97e-64 . . . . 4940 1 . no PDB 3CDN . 'Crystal Structure Of A Pheromone Binding Protein From Apis Mellifera Soaked At Ph 4.0' . . . . . 100.00 119 100.00 100.00 4.97e-64 . . . . 4940 1 . no GenBank AAD51944 . 'pheromone-binding protein ASP1 [Apis mellifera]' . . . . . 100.00 144 100.00 100.00 1.22e-64 . . . . 4940 1 . no GenBank AAL60419 . 'odorant binding protein ASP1 [Apis mellifera]' . . . . . 100.00 144 100.00 100.00 1.17e-64 . . . . 4940 1 . no REF NP_001011590 . 'odorant binding protein ASP1 [Apis mellifera]' . . . . . 100.00 144 100.00 100.00 1.17e-64 . . . . 4940 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ASP1 abbreviation 4940 1 'Antennal Specific Protein 1' common 4940 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 4940 1 2 . PRO . 4940 1 3 . ASP . 4940 1 4 . TRP . 4940 1 5 . VAL . 4940 1 6 . PRO . 4940 1 7 . PRO . 4940 1 8 . GLU . 4940 1 9 . VAL . 4940 1 10 . PHE . 4940 1 11 . ASP . 4940 1 12 . LEU . 4940 1 13 . VAL . 4940 1 14 . ALA . 4940 1 15 . GLU . 4940 1 16 . ASP . 4940 1 17 . LYS . 4940 1 18 . ALA . 4940 1 19 . ARG . 4940 1 20 . CYS . 4940 1 21 . MET . 4940 1 22 . SER . 4940 1 23 . GLU . 4940 1 24 . HIS . 4940 1 25 . GLY . 4940 1 26 . THR . 4940 1 27 . THR . 4940 1 28 . GLN . 4940 1 29 . ALA . 4940 1 30 . GLN . 4940 1 31 . ILE . 4940 1 32 . ASP . 4940 1 33 . ASP . 4940 1 34 . VAL . 4940 1 35 . ASP . 4940 1 36 . LYS . 4940 1 37 . GLY . 4940 1 38 . ASN . 4940 1 39 . LEU . 4940 1 40 . VAL . 4940 1 41 . ASN . 4940 1 42 . GLU . 4940 1 43 . PRO . 4940 1 44 . SER . 4940 1 45 . ILE . 4940 1 46 . THR . 4940 1 47 . CYS . 4940 1 48 . TYR . 4940 1 49 . MET . 4940 1 50 . TYR . 4940 1 51 . CYS . 4940 1 52 . LEU . 4940 1 53 . LEU . 4940 1 54 . GLU . 4940 1 55 . ALA . 4940 1 56 . PHE . 4940 1 57 . SER . 4940 1 58 . LEU . 4940 1 59 . VAL . 4940 1 60 . ASP . 4940 1 61 . ASP . 4940 1 62 . GLU . 4940 1 63 . ALA . 4940 1 64 . ASN . 4940 1 65 . VAL . 4940 1 66 . ASP . 4940 1 67 . GLU . 4940 1 68 . ASP . 4940 1 69 . ILE . 4940 1 70 . MET . 4940 1 71 . LEU . 4940 1 72 . GLY . 4940 1 73 . LEU . 4940 1 74 . LEU . 4940 1 75 . PRO . 4940 1 76 . ASP . 4940 1 77 . GLN . 4940 1 78 . LEU . 4940 1 79 . GLN . 4940 1 80 . GLU . 4940 1 81 . ARG . 4940 1 82 . ALA . 4940 1 83 . GLN . 4940 1 84 . SER . 4940 1 85 . VAL . 4940 1 86 . MET . 4940 1 87 . GLY . 4940 1 88 . LYS . 4940 1 89 . CYS . 4940 1 90 . LEU . 4940 1 91 . PRO . 4940 1 92 . THR . 4940 1 93 . SER . 4940 1 94 . GLY . 4940 1 95 . SER . 4940 1 96 . ASP . 4940 1 97 . ASN . 4940 1 98 . CYS . 4940 1 99 . ASN . 4940 1 100 . LYS . 4940 1 101 . ILE . 4940 1 102 . TYR . 4940 1 103 . ASN . 4940 1 104 . LEU . 4940 1 105 . ALA . 4940 1 106 . LYS . 4940 1 107 . CYS . 4940 1 108 . VAL . 4940 1 109 . GLN . 4940 1 110 . GLU . 4940 1 111 . SER . 4940 1 112 . ALA . 4940 1 113 . PRO . 4940 1 114 . ASP . 4940 1 115 . VAL . 4940 1 116 . TRP . 4940 1 117 . PHE . 4940 1 118 . VAL . 4940 1 119 . ILE . 4940 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 4940 1 . PRO 2 2 4940 1 . ASP 3 3 4940 1 . TRP 4 4 4940 1 . VAL 5 5 4940 1 . PRO 6 6 4940 1 . PRO 7 7 4940 1 . GLU 8 8 4940 1 . VAL 9 9 4940 1 . PHE 10 10 4940 1 . ASP 11 11 4940 1 . LEU 12 12 4940 1 . VAL 13 13 4940 1 . ALA 14 14 4940 1 . GLU 15 15 4940 1 . ASP 16 16 4940 1 . LYS 17 17 4940 1 . ALA 18 18 4940 1 . ARG 19 19 4940 1 . CYS 20 20 4940 1 . MET 21 21 4940 1 . SER 22 22 4940 1 . GLU 23 23 4940 1 . HIS 24 24 4940 1 . GLY 25 25 4940 1 . THR 26 26 4940 1 . THR 27 27 4940 1 . GLN 28 28 4940 1 . ALA 29 29 4940 1 . GLN 30 30 4940 1 . ILE 31 31 4940 1 . ASP 32 32 4940 1 . ASP 33 33 4940 1 . VAL 34 34 4940 1 . ASP 35 35 4940 1 . LYS 36 36 4940 1 . GLY 37 37 4940 1 . ASN 38 38 4940 1 . LEU 39 39 4940 1 . VAL 40 40 4940 1 . ASN 41 41 4940 1 . GLU 42 42 4940 1 . PRO 43 43 4940 1 . SER 44 44 4940 1 . ILE 45 45 4940 1 . THR 46 46 4940 1 . CYS 47 47 4940 1 . TYR 48 48 4940 1 . MET 49 49 4940 1 . TYR 50 50 4940 1 . CYS 51 51 4940 1 . LEU 52 52 4940 1 . LEU 53 53 4940 1 . GLU 54 54 4940 1 . ALA 55 55 4940 1 . PHE 56 56 4940 1 . SER 57 57 4940 1 . LEU 58 58 4940 1 . VAL 59 59 4940 1 . ASP 60 60 4940 1 . ASP 61 61 4940 1 . GLU 62 62 4940 1 . ALA 63 63 4940 1 . ASN 64 64 4940 1 . VAL 65 65 4940 1 . ASP 66 66 4940 1 . GLU 67 67 4940 1 . ASP 68 68 4940 1 . ILE 69 69 4940 1 . MET 70 70 4940 1 . LEU 71 71 4940 1 . GLY 72 72 4940 1 . LEU 73 73 4940 1 . LEU 74 74 4940 1 . PRO 75 75 4940 1 . ASP 76 76 4940 1 . GLN 77 77 4940 1 . LEU 78 78 4940 1 . GLN 79 79 4940 1 . GLU 80 80 4940 1 . ARG 81 81 4940 1 . ALA 82 82 4940 1 . GLN 83 83 4940 1 . SER 84 84 4940 1 . VAL 85 85 4940 1 . MET 86 86 4940 1 . GLY 87 87 4940 1 . LYS 88 88 4940 1 . CYS 89 89 4940 1 . LEU 90 90 4940 1 . PRO 91 91 4940 1 . THR 92 92 4940 1 . SER 93 93 4940 1 . GLY 94 94 4940 1 . SER 95 95 4940 1 . ASP 96 96 4940 1 . ASN 97 97 4940 1 . CYS 98 98 4940 1 . ASN 99 99 4940 1 . LYS 100 100 4940 1 . ILE 101 101 4940 1 . TYR 102 102 4940 1 . ASN 103 103 4940 1 . LEU 104 104 4940 1 . ALA 105 105 4940 1 . LYS 106 106 4940 1 . CYS 107 107 4940 1 . VAL 108 108 4940 1 . GLN 109 109 4940 1 . GLU 110 110 4940 1 . SER 111 111 4940 1 . ALA 112 112 4940 1 . PRO 113 113 4940 1 . ASP 114 114 4940 1 . VAL 115 115 4940 1 . TRP 116 116 4940 1 . PHE 117 117 4940 1 . VAL 118 118 4940 1 . ILE 119 119 4940 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4940 _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 $ASP1 . 7460 organism . 'Apis mellifera lingustica' Honeybee . . Eukaryota Metazoa Apis 'mellifera lingustica' . . Antenne . . . . . . . . . . 4940 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 4940 _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 $ASP1 . 'recombinant technology' . 'Pichia pastoris' . . . . . . . . . . . . . . 4940 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4940 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Antennal Specific Protein 1' . . . 1 $ASP1 . . . 1.0 1.5 mM . . . . 4940 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4940 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Antennal Specific Protein 1' '[U-95% 15N]' . . 1 $ASP1 . . . 1.0 1.5 mM . . . . 4940 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4940 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Antennal Specific Protein 1' '[U-95% 13C; U-95% 15N]' . . 1 $ASP1 . . . 1.0 1.5 mM . . . . 4940 3 stop_ save_ ####################### # Sample conditions # ####################### save_cond_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_set_1 _Sample_condition_list.Entry_ID 4940 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.6 0.1 n/a 4940 1 temperature 295 0.1 K 4940 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR_(Bruker) _Software.Sf_category software _Software.Sf_framecode XWINNMR_(Bruker) _Software.Entry_ID 4940 _Software.ID 1 _Software.Type . _Software.Name 'XWINNMR (Bruker)' _Software.Version 2.6 _Software.DOI . _Software.Details . save_ save_FELIX_(MSI) _Software.Sf_category software _Software.Sf_framecode FELIX_(MSI) _Software.Entry_ID 4940 _Software.ID 2 _Software.Type . _Software.Name 'FELIX (MSI)' _Software.Version 98 _Software.DOI . _Software.Details . 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 4940 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4940 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4940 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 800 . . . 4940 1 2 NMR_spectrometer_2 Bruker DRX . 500 . . . 4940 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 4940 _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 'For DRX800: TXI x/y/z gradient probe' . . . . . . . . . . . . . . . . 1 $cond_set_1 . . . . . . . . . . . . . . . . . . . . . 4940 1 2 'For DRX500: TXI z gradient cryoprobe' . . . . . . . . . . . . . . . . 1 $cond_set_1 . . . . . . . . . . . . . . . . . . . . . 4940 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4940 _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 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . 4940 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 external direct . . . . . . 4940 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 4940 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4940 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 'For DRX800: TXI x/y/z gradient probe' . . . 4940 1 2 'For DRX500: TXI z gradient cryoprobe' . . . 4940 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 ALA HA H 1 3.99 . . 1 . . . . . . . . . 4940 1 2 . 1 1 1 1 ALA HB1 H 1 1.04 . . 1 . . . . . . . . . 4940 1 3 . 1 1 1 1 ALA HB2 H 1 1.04 . . 1 . . . . . . . . . 4940 1 4 . 1 1 1 1 ALA HB3 H 1 1.04 . . 1 . . . . . . . . . 4940 1 5 . 1 1 1 1 ALA C C 13 171.37 . . 1 . . . . . . . . . 4940 1 6 . 1 1 1 1 ALA CA C 13 50.38 . . 1 . . . . . . . . . 4940 1 7 . 1 1 1 1 ALA CB C 13 16.77 . . 1 . . . . . . . . . 4940 1 8 . 1 1 2 2 PRO HA H 1 4.32 . . 1 . . . . . . . . . 4940 1 9 . 1 1 2 2 PRO HB2 H 1 2.10 . . 1 . . . . . . . . . 4940 1 10 . 1 1 2 2 PRO HB3 H 1 2.10 . . 1 . . . . . . . . . 4940 1 11 . 1 1 2 2 PRO HG2 H 1 2.48 . . 1 . . . . . . . . . 4940 1 12 . 1 1 2 2 PRO HG3 H 1 2.48 . . 1 . . . . . . . . . 4940 1 13 . 1 1 2 2 PRO HD2 H 1 4.33 . . 2 . . . . . . . . . 4940 1 14 . 1 1 2 2 PRO HD3 H 1 3.47 . . 2 . . . . . . . . . 4940 1 15 . 1 1 2 2 PRO C C 13 176.99 . . 1 . . . . . . . . . 4940 1 16 . 1 1 2 2 PRO CA C 13 62.35 . . 1 . . . . . . . . . 4940 1 17 . 1 1 2 2 PRO CB C 13 31.90 . . 1 . . . . . . . . . 4940 1 18 . 1 1 2 2 PRO CD C 13 51.16 . . 1 . . . . . . . . . 4940 1 19 . 1 1 3 3 ASP H H 1 8.7 . . 1 . . . . . . . . . 4940 1 20 . 1 1 3 3 ASP HA H 1 4.17 . . 1 . . . . . . . . . 4940 1 21 . 1 1 3 3 ASP HB2 H 1 2.77 . . 2 . . . . . . . . . 4940 1 22 . 1 1 3 3 ASP HB3 H 1 2.71 . . 2 . . . . . . . . . 4940 1 23 . 1 1 3 3 ASP C C 13 176.21 . . 1 . . . . . . . . . 4940 1 24 . 1 1 3 3 ASP CA C 13 56.13 . . 1 . . . . . . . . . 4940 1 25 . 1 1 3 3 ASP CB C 13 40.01 . . 1 . . . . . . . . . 4940 1 26 . 1 1 3 3 ASP N N 15 120.1 . . 1 . . . . . . . . . 4940 1 27 . 1 1 4 4 TRP H H 1 6.79 . . 1 . . . . . . . . . 4940 1 28 . 1 1 4 4 TRP HA H 1 4.51 . . 1 . . . . . . . . . 4940 1 29 . 1 1 4 4 TRP HB2 H 1 3.61 . . 2 . . . . . . . . . 4940 1 30 . 1 1 4 4 TRP HB3 H 1 3.12 . . 2 . . . . . . . . . 4940 1 31 . 1 1 4 4 TRP C C 13 176.20 . . 1 . . . . . . . . . 4940 1 32 . 1 1 4 4 TRP CA C 13 54.63 . . 1 . . . . . . . . . 4940 1 33 . 1 1 4 4 TRP CB C 13 28.33 . . 1 . . . . . . . . . 4940 1 34 . 1 1 4 4 TRP N N 15 113.02 . . 1 . . . . . . . . . 4940 1 35 . 1 1 5 5 VAL H H 1 6.90 . . 1 . . . . . . . . . 4940 1 36 . 1 1 5 5 VAL HA H 1 3.81 . . 1 . . . . . . . . . 4940 1 37 . 1 1 5 5 VAL HB H 1 1.52 . . 1 . . . . . . . . . 4940 1 38 . 1 1 5 5 VAL HG11 H 1 -0.61 . . 2 . . . . . . . . . 4940 1 39 . 1 1 5 5 VAL HG12 H 1 -0.61 . . 2 . . . . . . . . . 4940 1 40 . 1 1 5 5 VAL HG13 H 1 -0.61 . . 2 . . . . . . . . . 4940 1 41 . 1 1 5 5 VAL HG21 H 1 0.30 . . 2 . . . . . . . . . 4940 1 42 . 1 1 5 5 VAL HG22 H 1 0.30 . . 2 . . . . . . . . . 4940 1 43 . 1 1 5 5 VAL HG23 H 1 0.30 . . 2 . . . . . . . . . 4940 1 44 . 1 1 5 5 VAL C C 13 173.36 . . 1 . . . . . . . . . 4940 1 45 . 1 1 5 5 VAL CA C 13 60.74 . . 1 . . . . . . . . . 4940 1 46 . 1 1 5 5 VAL CB C 13 31.18 . . 1 . . . . . . . . . 4940 1 47 . 1 1 5 5 VAL CG1 C 13 21.34 . . 2 . . . . . . . . . 4940 1 48 . 1 1 5 5 VAL CG2 C 13 20.82 . . 2 . . . . . . . . . 4940 1 49 . 1 1 5 5 VAL N N 15 123.95 . . 1 . . . . . . . . . 4940 1 50 . 1 1 6 6 PRO HA H 1 4.74 . . 1 . . . . . . . . . 4940 1 51 . 1 1 6 6 PRO HB2 H 1 2.47 . . 2 . . . . . . . . . 4940 1 52 . 1 1 6 6 PRO HB3 H 1 2.09 . . 2 . . . . . . . . . 4940 1 53 . 1 1 6 6 PRO C C 13 175.68 . . 1 . . . . . . . . . 4940 1 54 . 1 1 6 6 PRO CA C 13 61.57 . . 1 . . . . . . . . . 4940 1 55 . 1 1 6 6 PRO CB C 13 31.52 . . 1 . . . . . . . . . 4940 1 56 . 1 1 7 7 PRO HA H 1 4.28 . . 1 . . . . . . . . . 4940 1 57 . 1 1 7 7 PRO HB2 H 1 2.40 . . 2 . . . . . . . . . 4940 1 58 . 1 1 7 7 PRO HB3 H 1 1.98 . . 2 . . . . . . . . . 4940 1 59 . 1 1 7 7 PRO HG2 H 1 2.15 . . 2 . . . . . . . . . 4940 1 60 . 1 1 7 7 PRO HG3 H 1 2.07 . . 2 . . . . . . . . . 4940 1 61 . 1 1 7 7 PRO HD2 H 1 3.90 . . 1 . . . . . . . . . 4940 1 62 . 1 1 7 7 PRO HD3 H 1 3.90 . . 1 . . . . . . . . . 4940 1 63 . 1 1 7 7 PRO C C 13 179.16 . . 1 . . . . . . . . . 4940 1 64 . 1 1 7 7 PRO CA C 13 64.99 . . 1 . . . . . . . . . 4940 1 65 . 1 1 7 7 PRO CB C 13 31.88 . . 1 . . . . . . . . . 4940 1 66 . 1 1 7 7 PRO CG C 13 27.52 . . 1 . . . . . . . . . 4940 1 67 . 1 1 7 7 PRO CD C 13 50.68 . . 1 . . . . . . . . . 4940 1 68 . 1 1 8 8 GLU H H 1 9.18 . . 1 . . . . . . . . . 4940 1 69 . 1 1 8 8 GLU HA H 1 4.24 . . 1 . . . . . . . . . 4940 1 70 . 1 1 8 8 GLU HB2 H 1 2.10 . . 1 . . . . . . . . . 4940 1 71 . 1 1 8 8 GLU HB3 H 1 2.10 . . 1 . . . . . . . . . 4940 1 72 . 1 1 8 8 GLU HG2 H 1 2.42 . . 2 . . . . . . . . . 4940 1 73 . 1 1 8 8 GLU HG3 H 1 2.38 . . 2 . . . . . . . . . 4940 1 74 . 1 1 8 8 GLU C C 13 178.88 . . 1 . . . . . . . . . 4940 1 75 . 1 1 8 8 GLU CA C 13 59.31 . . 1 . . . . . . . . . 4940 1 76 . 1 1 8 8 GLU CB C 13 28.50 . . 1 . . . . . . . . . 4940 1 77 . 1 1 8 8 GLU CG C 13 35.50 . . 1 . . . . . . . . . 4940 1 78 . 1 1 8 8 GLU N N 15 116.31 . . 1 . . . . . . . . . 4940 1 79 . 1 1 10 10 PHE HA H 1 4.36 . . 1 . . . . . . . . . 4940 1 80 . 1 1 10 10 PHE HB2 H 1 3.08 . . 2 . . . . . . . . . 4940 1 81 . 1 1 10 10 PHE HB3 H 1 2.95 . . 2 . . . . . . . . . 4940 1 82 . 1 1 10 10 PHE C C 13 176.4 . . 1 . . . . . . . . . 4940 1 83 . 1 1 10 10 PHE CA C 13 58.25 . . 1 . . . . . . . . . 4940 1 84 . 1 1 10 10 PHE CB C 13 39.28 . . 1 . . . . . . . . . 4940 1 85 . 1 1 11 11 ASP H H 1 7.28 . . 1 . . . . . . . . . 4940 1 86 . 1 1 11 11 ASP HA H 1 4.61 . . 1 . . . . . . . . . 4940 1 87 . 1 1 11 11 ASP HB2 H 1 2.75 . . 1 . . . . . . . . . 4940 1 88 . 1 1 11 11 ASP HB3 H 1 2.75 . . 1 . . . . . . . . . 4940 1 89 . 1 1 11 11 ASP C C 13 178.56 . . 1 . . . . . . . . . 4940 1 90 . 1 1 11 11 ASP CA C 13 56.61 . . 1 . . . . . . . . . 4940 1 91 . 1 1 11 11 ASP CB C 13 40.14 . . 1 . . . . . . . . . 4940 1 92 . 1 1 11 11 ASP N N 15 113.46 . . 1 . . . . . . . . . 4940 1 93 . 1 1 12 12 LEU H H 1 7.95 . . 1 . . . . . . . . . 4940 1 94 . 1 1 12 12 LEU HA H 1 4.24 . . 1 . . . . . . . . . 4940 1 95 . 1 1 12 12 LEU HB2 H 1 1.74 . . 1 . . . . . . . . . 4940 1 96 . 1 1 12 12 LEU HB3 H 1 1.74 . . 1 . . . . . . . . . 4940 1 97 . 1 1 12 12 LEU HG H 1 1.72 . . 1 . . . . . . . . . 4940 1 98 . 1 1 12 12 LEU HD11 H 1 0.92 . . 2 . . . . . . . . . 4940 1 99 . 1 1 12 12 LEU HD12 H 1 0.92 . . 2 . . . . . . . . . 4940 1 100 . 1 1 12 12 LEU HD13 H 1 0.92 . . 2 . . . . . . . . . 4940 1 101 . 1 1 12 12 LEU HD21 H 1 0.86 . . 2 . . . . . . . . . 4940 1 102 . 1 1 12 12 LEU HD22 H 1 0.86 . . 2 . . . . . . . . . 4940 1 103 . 1 1 12 12 LEU HD23 H 1 0.86 . . 2 . . . . . . . . . 4940 1 104 . 1 1 12 12 LEU C C 13 179.86 . . 1 . . . . . . . . . 4940 1 105 . 1 1 12 12 LEU CA C 13 58.02 . . 1 . . . . . . . . . 4940 1 106 . 1 1 12 12 LEU CB C 13 42.55 . . 1 . . . . . . . . . 4940 1 107 . 1 1 12 12 LEU N N 15 121.16 . . 1 . . . . . . . . . 4940 1 108 . 1 1 13 13 VAL H H 1 7.77 . . 1 . . . . . . . . . 4940 1 109 . 1 1 13 13 VAL HA H 1 4.58 . . 1 . . . . . . . . . 4940 1 110 . 1 1 13 13 VAL HB H 1 2.39 . . 1 . . . . . . . . . 4940 1 111 . 1 1 13 13 VAL HG11 H 1 0.90 . . 2 . . . . . . . . . 4940 1 112 . 1 1 13 13 VAL HG12 H 1 0.90 . . 2 . . . . . . . . . 4940 1 113 . 1 1 13 13 VAL HG13 H 1 0.90 . . 2 . . . . . . . . . 4940 1 114 . 1 1 13 13 VAL HG21 H 1 0.70 . . 2 . . . . . . . . . 4940 1 115 . 1 1 13 13 VAL HG22 H 1 0.70 . . 2 . . . . . . . . . 4940 1 116 . 1 1 13 13 VAL HG23 H 1 0.70 . . 2 . . . . . . . . . 4940 1 117 . 1 1 13 13 VAL C C 13 176.11 . . 1 . . . . . . . . . 4940 1 118 . 1 1 13 13 VAL CA C 13 61.61 . . 1 . . . . . . . . . 4940 1 119 . 1 1 13 13 VAL CB C 13 32.90 . . 1 . . . . . . . . . 4940 1 120 . 1 1 13 13 VAL CG1 C 13 19.80 . . 2 . . . . . . . . . 4940 1 121 . 1 1 13 13 VAL CG2 C 13 20.93 . . 2 . . . . . . . . . 4940 1 122 . 1 1 13 13 VAL N N 15 108.99 . . 1 . . . . . . . . . 4940 1 123 . 1 1 14 14 ALA H H 1 7.19 . . 1 . . . . . . . . . 4940 1 124 . 1 1 14 14 ALA HA H 1 4.02 . . 1 . . . . . . . . . 4940 1 125 . 1 1 14 14 ALA HB1 H 1 1.63 . . 1 . . . . . . . . . 4940 1 126 . 1 1 14 14 ALA HB2 H 1 1.63 . . 1 . . . . . . . . . 4940 1 127 . 1 1 14 14 ALA HB3 H 1 1.63 . . 1 . . . . . . . . . 4940 1 128 . 1 1 14 14 ALA C C 13 180.22 . . 1 . . . . . . . . . 4940 1 129 . 1 1 14 14 ALA CA C 13 56.75 . . 1 . . . . . . . . . 4940 1 130 . 1 1 14 14 ALA CB C 13 18.92 . . 1 . . . . . . . . . 4940 1 131 . 1 1 14 14 ALA N N 15 122.44 . . 1 . . . . . . . . . 4940 1 132 . 1 1 15 15 GLU H H 1 8.80 . . 1 . . . . . . . . . 4940 1 133 . 1 1 15 15 GLU HA H 1 4.18 . . 1 . . . . . . . . . 4940 1 134 . 1 1 15 15 GLU HB2 H 1 2.18 . . 1 . . . . . . . . . 4940 1 135 . 1 1 15 15 GLU HB3 H 1 2.18 . . 1 . . . . . . . . . 4940 1 136 . 1 1 15 15 GLU HG2 H 1 2.44 . . 2 . . . . . . . . . 4940 1 137 . 1 1 15 15 GLU HG3 H 1 2.35 . . 2 . . . . . . . . . 4940 1 138 . 1 1 15 15 GLU C C 13 179.65 . . 1 . . . . . . . . . 4940 1 139 . 1 1 15 15 GLU CA C 13 60.11 . . 1 . . . . . . . . . 4940 1 140 . 1 1 15 15 GLU CB C 13 28.90 . . 1 . . . . . . . . . 4940 1 141 . 1 1 15 15 GLU CG C 13 35.24 . . 1 . . . . . . . . . 4940 1 142 . 1 1 15 15 GLU N N 15 119.03 . . 1 . . . . . . . . . 4940 1 143 . 1 1 16 16 ASP H H 1 9.01 . . 1 . . . . . . . . . 4940 1 144 . 1 1 16 16 ASP HA H 1 4.50 . . 1 . . . . . . . . . 4940 1 145 . 1 1 16 16 ASP HB2 H 1 2.59 . . 2 . . . . . . . . . 4940 1 146 . 1 1 16 16 ASP HB3 H 1 2.28 . . 2 . . . . . . . . . 4940 1 147 . 1 1 16 16 ASP C C 13 177.57 . . 1 . . . . . . . . . 4940 1 148 . 1 1 16 16 ASP CA C 13 57.92 . . 1 . . . . . . . . . 4940 1 149 . 1 1 16 16 ASP CB C 13 41.13 . . 1 . . . . . . . . . 4940 1 150 . 1 1 16 16 ASP N N 15 121.41 . . 1 . . . . . . . . . 4940 1 151 . 1 1 17 17 LYS H H 1 9.40 . . 1 . . . . . . . . . 4940 1 152 . 1 1 17 17 LYS HA H 1 4.05 . . 1 . . . . . . . . . 4940 1 153 . 1 1 17 17 LYS HB2 H 1 2.11 . . 2 . . . . . . . . . 4940 1 154 . 1 1 17 17 LYS HB3 H 1 1.68 . . 2 . . . . . . . . . 4940 1 155 . 1 1 17 17 LYS C C 13 177.93 . . 1 . . . . . . . . . 4940 1 156 . 1 1 17 17 LYS CA C 13 60.04 . . 1 . . . . . . . . . 4940 1 157 . 1 1 17 17 LYS CB C 13 32.98 . . 1 . . . . . . . . . 4940 1 158 . 1 1 17 17 LYS N N 15 121.77 . . 1 . . . . . . . . . 4940 1 159 . 1 1 18 18 ALA H H 1 8.02 . . 1 . . . . . . . . . 4940 1 160 . 1 1 18 18 ALA HA H 1 4.18 . . 1 . . . . . . . . . 4940 1 161 . 1 1 18 18 ALA HB1 H 1 1.57 . . 1 . . . . . . . . . 4940 1 162 . 1 1 18 18 ALA HB2 H 1 1.57 . . 1 . . . . . . . . . 4940 1 163 . 1 1 18 18 ALA HB3 H 1 1.57 . . 1 . . . . . . . . . 4940 1 164 . 1 1 18 18 ALA C C 13 181.08 . . 1 . . . . . . . . . 4940 1 165 . 1 1 18 18 ALA CA C 13 55.34 . . 1 . . . . . . . . . 4940 1 166 . 1 1 18 18 ALA CB C 13 17.71 . . 1 . . . . . . . . . 4940 1 167 . 1 1 18 18 ALA N N 15 120.74 . . 1 . . . . . . . . . 4940 1 168 . 1 1 19 19 ARG H H 1 8.10 . . 1 . . . . . . . . . 4940 1 169 . 1 1 19 19 ARG HA H 1 4.15 . . 1 . . . . . . . . . 4940 1 170 . 1 1 19 19 ARG HB2 H 1 2.06 . . 2 . . . . . . . . . 4940 1 171 . 1 1 19 19 ARG HB3 H 1 1.92 . . 2 . . . . . . . . . 4940 1 172 . 1 1 19 19 ARG HG2 H 1 1.62 . . 1 . . . . . . . . . 4940 1 173 . 1 1 19 19 ARG HG3 H 1 1.62 . . 1 . . . . . . . . . 4940 1 174 . 1 1 19 19 ARG HD2 H 1 3.34 . . 2 . . . . . . . . . 4940 1 175 . 1 1 19 19 ARG HD3 H 1 3.16 . . 2 . . . . . . . . . 4940 1 176 . 1 1 19 19 ARG C C 13 179.00 . . 1 . . . . . . . . . 4940 1 177 . 1 1 19 19 ARG CA C 13 59.80 . . 1 . . . . . . . . . 4940 1 178 . 1 1 19 19 ARG CB C 13 29.92 . . 1 . . . . . . . . . 4940 1 179 . 1 1 19 19 ARG N N 15 120.07 . . 1 . . . . . . . . . 4940 1 180 . 1 1 20 20 CYS H H 1 9.15 . . 1 . . . . . . . . . 4940 1 181 . 1 1 20 20 CYS HA H 1 4.61 . . 1 . . . . . . . . . 4940 1 182 . 1 1 20 20 CYS HB2 H 1 3.23 . . 2 . . . . . . . . . 4940 1 183 . 1 1 20 20 CYS HB3 H 1 3.03 . . 2 . . . . . . . . . 4940 1 184 . 1 1 20 20 CYS C C 13 177.92 . . 1 . . . . . . . . . 4940 1 185 . 1 1 20 20 CYS CA C 13 58.09 . . 1 . . . . . . . . . 4940 1 186 . 1 1 20 20 CYS CB C 13 38.67 . . 1 . . . . . . . . . 4940 1 187 . 1 1 20 20 CYS N N 15 117.96 . . 1 . . . . . . . . . 4940 1 188 . 1 1 21 21 MET H H 1 9.04 . . 1 . . . . . . . . . 4940 1 189 . 1 1 21 21 MET HA H 1 4.31 . . 1 . . . . . . . . . 4940 1 190 . 1 1 21 21 MET HB2 H 1 2.23 . . 2 . . . . . . . . . 4940 1 191 . 1 1 21 21 MET HB3 H 1 2.12 . . 2 . . . . . . . . . 4940 1 192 . 1 1 21 21 MET C C 13 178.92 . . 1 . . . . . . . . . 4940 1 193 . 1 1 21 21 MET CA C 13 59.84 . . 1 . . . . . . . . . 4940 1 194 . 1 1 21 21 MET CB C 13 34.10 . . 1 . . . . . . . . . 4940 1 195 . 1 1 21 21 MET N N 15 119.03 . . 1 . . . . . . . . . 4940 1 196 . 1 1 22 22 SER H H 1 8.12 . . 1 . . . . . . . . . 4940 1 197 . 1 1 22 22 SER HA H 1 4.27 . . 1 . . . . . . . . . 4940 1 198 . 1 1 22 22 SER HB2 H 1 4.13 . . 1 . . . . . . . . . 4940 1 199 . 1 1 22 22 SER HB3 H 1 4.13 . . 1 . . . . . . . . . 4940 1 200 . 1 1 22 22 SER C C 13 177.83 . . 1 . . . . . . . . . 4940 1 201 . 1 1 22 22 SER CA C 13 61.29 . . 1 . . . . . . . . . 4940 1 202 . 1 1 22 22 SER CB C 13 62.77 . . 1 . . . . . . . . . 4940 1 203 . 1 1 22 22 SER N N 15 114.48 . . 1 . . . . . . . . . 4940 1 204 . 1 1 23 23 GLU H H 1 8.49 . . 1 . . . . . . . . . 4940 1 205 . 1 1 23 23 GLU HA H 1 4.00 . . 1 . . . . . . . . . 4940 1 206 . 1 1 23 23 GLU HB2 H 1 2.00 . . 2 . . . . . . . . . 4940 1 207 . 1 1 23 23 GLU HB3 H 1 1.56 . . 2 . . . . . . . . . 4940 1 208 . 1 1 23 23 GLU HG2 H 1 2.38 . . 1 . . . . . . . . . 4940 1 209 . 1 1 23 23 GLU HG3 H 1 2.38 . . 1 . . . . . . . . . 4940 1 210 . 1 1 23 23 GLU C C 13 177.61 . . 1 . . . . . . . . . 4940 1 211 . 1 1 23 23 GLU CA C 13 58.66 . . 1 . . . . . . . . . 4940 1 212 . 1 1 23 23 GLU CB C 13 29.83 . . 1 . . . . . . . . . 4940 1 213 . 1 1 23 23 GLU N N 15 118.69 . . 1 . . . . . . . . . 4940 1 214 . 1 1 24 24 HIS H H 1 7.24 . . 1 . . . . . . . . . 4940 1 215 . 1 1 24 24 HIS HA H 1 4.80 . . 1 . . . . . . . . . 4940 1 216 . 1 1 24 24 HIS HB2 H 1 3.48 . . 2 . . . . . . . . . 4940 1 217 . 1 1 24 24 HIS HB3 H 1 3.17 . . 2 . . . . . . . . . 4940 1 218 . 1 1 24 24 HIS C C 13 174.36 . . 1 . . . . . . . . . 4940 1 219 . 1 1 24 24 HIS CA C 13 56.03 . . 1 . . . . . . . . . 4940 1 220 . 1 1 24 24 HIS CB C 13 29.83 . . 1 . . . . . . . . . 4940 1 221 . 1 1 24 24 HIS N N 15 111.14 . . 1 . . . . . . . . . 4940 1 222 . 1 1 25 25 GLY H H 1 7.86 . . 1 . . . . . . . . . 4940 1 223 . 1 1 25 25 GLY HA2 H 1 4.01 . . 2 . . . . . . . . . 4940 1 224 . 1 1 25 25 GLY HA3 H 1 3.96 . . 2 . . . . . . . . . 4940 1 225 . 1 1 25 25 GLY C C 13 173.63 . . 1 . . . . . . . . . 4940 1 226 . 1 1 25 25 GLY CA C 13 46.58 . . 1 . . . . . . . . . 4940 1 227 . 1 1 25 25 GLY N N 15 110.49 . . 1 . . . . . . . . . 4940 1 228 . 1 1 26 26 THR H H 1 8.33 . . 1 . . . . . . . . . 4940 1 229 . 1 1 26 26 THR HA H 1 4.21 . . 1 . . . . . . . . . 4940 1 230 . 1 1 26 26 THR HB H 1 3.34 . . 1 . . . . . . . . . 4940 1 231 . 1 1 26 26 THR HG21 H 1 1.01 . . 1 . . . . . . . . . 4940 1 232 . 1 1 26 26 THR HG22 H 1 1.01 . . 1 . . . . . . . . . 4940 1 233 . 1 1 26 26 THR HG23 H 1 1.01 . . 1 . . . . . . . . . 4940 1 234 . 1 1 26 26 THR C C 13 175.01 . . 1 . . . . . . . . . 4940 1 235 . 1 1 26 26 THR CA C 13 63.23 . . 1 . . . . . . . . . 4940 1 236 . 1 1 26 26 THR CB C 13 70.34 . . 1 . . . . . . . . . 4940 1 237 . 1 1 26 26 THR CG2 C 13 22.37 . . 1 . . . . . . . . . 4940 1 238 . 1 1 26 26 THR N N 15 119.11 . . 1 . . . . . . . . . 4940 1 239 . 1 1 27 27 THR H H 1 8.77 . . 1 . . . . . . . . . 4940 1 240 . 1 1 27 27 THR HA H 1 4.69 . . 1 . . . . . . . . . 4940 1 241 . 1 1 27 27 THR HB H 1 4.56 . . 1 . . . . . . . . . 4940 1 242 . 1 1 27 27 THR HG21 H 1 1.23 . . 1 . . . . . . . . . 4940 1 243 . 1 1 27 27 THR HG22 H 1 1.23 . . 1 . . . . . . . . . 4940 1 244 . 1 1 27 27 THR HG23 H 1 1.23 . . 1 . . . . . . . . . 4940 1 245 . 1 1 27 27 THR C C 13 175.49 . . 1 . . . . . . . . . 4940 1 246 . 1 1 27 27 THR CA C 13 59.01 . . 1 . . . . . . . . . 4940 1 247 . 1 1 27 27 THR CB C 13 70.86 . . 1 . . . . . . . . . 4940 1 248 . 1 1 27 27 THR CG2 C 13 21.32 . . 1 . . . . . . . . . 4940 1 249 . 1 1 27 27 THR N N 15 115.83 . . 1 . . . . . . . . . 4940 1 250 . 1 1 28 28 GLN H H 1 9.15 . . 1 . . . . . . . . . 4940 1 251 . 1 1 28 28 GLN HA H 1 3.68 . . 1 . . . . . . . . . 4940 1 252 . 1 1 28 28 GLN HB2 H 1 2.07 . . 2 . . . . . . . . . 4940 1 253 . 1 1 28 28 GLN HB3 H 1 1.85 . . 2 . . . . . . . . . 4940 1 254 . 1 1 28 28 GLN HG2 H 1 2.40 . . 1 . . . . . . . . . 4940 1 255 . 1 1 28 28 GLN HG3 H 1 2.40 . . 1 . . . . . . . . . 4940 1 256 . 1 1 28 28 GLN C C 13 177.25 . . 1 . . . . . . . . . 4940 1 257 . 1 1 28 28 GLN CA C 13 57.64 . . 1 . . . . . . . . . 4940 1 258 . 1 1 28 28 GLN CB C 13 27.07 . . 1 . . . . . . . . . 4940 1 259 . 1 1 28 28 GLN CG C 13 33.15 . . 1 . . . . . . . . . 4940 1 260 . 1 1 28 28 GLN N N 15 122.27 . . 1 . . . . . . . . . 4940 1 261 . 1 1 29 29 ALA H H 1 8.28 . . 1 . . . . . . . . . 4940 1 262 . 1 1 29 29 ALA HA H 1 4.15 . . 1 . . . . . . . . . 4940 1 263 . 1 1 29 29 ALA HB1 H 1 1.37 . . 1 . . . . . . . . . 4940 1 264 . 1 1 29 29 ALA HB2 H 1 1.37 . . 1 . . . . . . . . . 4940 1 265 . 1 1 29 29 ALA HB3 H 1 1.37 . . 1 . . . . . . . . . 4940 1 266 . 1 1 29 29 ALA C C 13 180.87 . . 1 . . . . . . . . . 4940 1 267 . 1 1 29 29 ALA CA C 13 55.14 . . 1 . . . . . . . . . 4940 1 268 . 1 1 29 29 ALA CB C 13 17.69 . . 1 . . . . . . . . . 4940 1 269 . 1 1 29 29 ALA N N 15 120.66 . . 1 . . . . . . . . . 4940 1 270 . 1 1 30 30 GLN H H 1 7.61 . . 1 . . . . . . . . . 4940 1 271 . 1 1 30 30 GLN HA H 1 4.14 . . 1 . . . . . . . . . 4940 1 272 . 1 1 30 30 GLN HB2 H 1 2.43 . . 2 . . . . . . . . . 4940 1 273 . 1 1 30 30 GLN HB3 H 1 1.84 . . 2 . . . . . . . . . 4940 1 274 . 1 1 30 30 GLN HG2 H 1 2.28 . . 1 . . . . . . . . . 4940 1 275 . 1 1 30 30 GLN HG3 H 1 2.28 . . 1 . . . . . . . . . 4940 1 276 . 1 1 30 30 GLN C C 13 179.23 . . 1 . . . . . . . . . 4940 1 277 . 1 1 30 30 GLN CA C 13 59.20 . . 1 . . . . . . . . . 4940 1 278 . 1 1 30 30 GLN CB C 13 30.83 . . 1 . . . . . . . . . 4940 1 279 . 1 1 30 30 GLN N N 15 116.61 . . 1 . . . . . . . . . 4940 1 280 . 1 1 31 31 ILE H H 1 7.23 . . 1 . . . . . . . . . 4940 1 281 . 1 1 31 31 ILE HA H 1 3.43 . . 1 . . . . . . . . . 4940 1 282 . 1 1 31 31 ILE HB H 1 1.82 . . 1 . . . . . . . . . 4940 1 283 . 1 1 31 31 ILE HG12 H 1 1.43 . . 1 . . . . . . . . . 4940 1 284 . 1 1 31 31 ILE HG13 H 1 1.43 . . 1 . . . . . . . . . 4940 1 285 . 1 1 31 31 ILE HG21 H 1 0.76 . . 1 . . . . . . . . . 4940 1 286 . 1 1 31 31 ILE HG22 H 1 0.76 . . 1 . . . . . . . . . 4940 1 287 . 1 1 31 31 ILE HG23 H 1 0.76 . . 1 . . . . . . . . . 4940 1 288 . 1 1 31 31 ILE HD11 H 1 0.27 . . 1 . . . . . . . . . 4940 1 289 . 1 1 31 31 ILE HD12 H 1 0.27 . . 1 . . . . . . . . . 4940 1 290 . 1 1 31 31 ILE HD13 H 1 0.27 . . 1 . . . . . . . . . 4940 1 291 . 1 1 31 31 ILE C C 13 177.40 . . 1 . . . . . . . . . 4940 1 292 . 1 1 31 31 ILE CA C 13 65.51 . . 1 . . . . . . . . . 4940 1 293 . 1 1 31 31 ILE CB C 13 37.87 . . 1 . . . . . . . . . 4940 1 294 . 1 1 31 31 ILE CG1 C 13 29.10 . . 1 . . . . . . . . . 4940 1 295 . 1 1 31 31 ILE CG2 C 13 17.30 . . 1 . . . . . . . . . 4940 1 296 . 1 1 31 31 ILE CD1 C 13 14.77 . . 1 . . . . . . . . . 4940 1 297 . 1 1 31 31 ILE N N 15 121.57 . . 1 . . . . . . . . . 4940 1 298 . 1 1 32 32 ASP H H 1 8.96 . . 1 . . . . . . . . . 4940 1 299 . 1 1 32 32 ASP HA H 1 4.34 . . 1 . . . . . . . . . 4940 1 300 . 1 1 32 32 ASP HB2 H 1 2.76 . . 2 . . . . . . . . . 4940 1 301 . 1 1 32 32 ASP HB3 H 1 2.64 . . 2 . . . . . . . . . 4940 1 302 . 1 1 32 32 ASP C C 13 179.03 . . 1 . . . . . . . . . 4940 1 303 . 1 1 32 32 ASP CA C 13 57.28 . . 1 . . . . . . . . . 4940 1 304 . 1 1 32 32 ASP CB C 13 40.10 . . 1 . . . . . . . . . 4940 1 305 . 1 1 32 32 ASP N N 15 120.22 . . 1 . . . . . . . . . 4940 1 306 . 1 1 33 33 ASP H H 1 7.70 . . 1 . . . . . . . . . 4940 1 307 . 1 1 33 33 ASP HA H 1 4.20 . . 1 . . . . . . . . . 4940 1 308 . 1 1 33 33 ASP HB2 H 1 2.37 . . 2 . . . . . . . . . 4940 1 309 . 1 1 33 33 ASP HB3 H 1 2.07 . . 2 . . . . . . . . . 4940 1 310 . 1 1 33 33 ASP C C 13 178.89 . . 1 . . . . . . . . . 4940 1 311 . 1 1 33 33 ASP CA C 13 58.84 . . 1 . . . . . . . . . 4940 1 312 . 1 1 33 33 ASP N N 15 118.94 . . 1 . . . . . . . . . 4940 1 313 . 1 1 34 34 VAL H H 1 7.99 . . 1 . . . . . . . . . 4940 1 314 . 1 1 34 34 VAL HA H 1 3.57 . . 1 . . . . . . . . . 4940 1 315 . 1 1 34 34 VAL HB H 1 1.80 . . 1 . . . . . . . . . 4940 1 316 . 1 1 34 34 VAL HG11 H 1 0.40 . . 2 . . . . . . . . . 4940 1 317 . 1 1 34 34 VAL HG12 H 1 0.40 . . 2 . . . . . . . . . 4940 1 318 . 1 1 34 34 VAL HG13 H 1 0.40 . . 2 . . . . . . . . . 4940 1 319 . 1 1 34 34 VAL HG21 H 1 0.88 . . 2 . . . . . . . . . 4940 1 320 . 1 1 34 34 VAL HG22 H 1 0.88 . . 2 . . . . . . . . . 4940 1 321 . 1 1 34 34 VAL HG23 H 1 0.88 . . 2 . . . . . . . . . 4940 1 322 . 1 1 34 34 VAL C C 13 176.42 . . 1 . . . . . . . . . 4940 1 323 . 1 1 34 34 VAL CA C 13 65.89 . . 1 . . . . . . . . . 4940 1 324 . 1 1 34 34 VAL CB C 13 30.83 . . 1 . . . . . . . . . 4940 1 325 . 1 1 34 34 VAL CG1 C 13 20.79 . . 2 . . . . . . . . . 4940 1 326 . 1 1 34 34 VAL CG2 C 13 23.50 . . 2 . . . . . . . . . 4940 1 327 . 1 1 34 34 VAL N N 15 120.16 . . 1 . . . . . . . . . 4940 1 328 . 1 1 35 35 ASP H H 1 7.14 . . 1 . . . . . . . . . 4940 1 329 . 1 1 35 35 ASP HA H 1 3.93 . . 1 . . . . . . . . . 4940 1 330 . 1 1 35 35 ASP HB2 H 1 3.15 . . 2 . . . . . . . . . 4940 1 331 . 1 1 35 35 ASP HB3 H 1 3.02 . . 2 . . . . . . . . . 4940 1 332 . 1 1 35 35 ASP C C 13 178.02 . . 1 . . . . . . . . . 4940 1 333 . 1 1 35 35 ASP CA C 13 61.80 . . 1 . . . . . . . . . 4940 1 334 . 1 1 35 35 ASP CB C 13 37.90 . . 1 . . . . . . . . . 4940 1 335 . 1 1 35 35 ASP N N 15 116.69 . . 1 . . . . . . . . . 4940 1 336 . 1 1 36 36 LYS H H 1 7.40 . . 1 . . . . . . . . . 4940 1 337 . 1 1 36 36 LYS HA H 1 4.39 . . 1 . . . . . . . . . 4940 1 338 . 1 1 36 36 LYS HB2 H 1 2.12 . . 2 . . . . . . . . . 4940 1 339 . 1 1 36 36 LYS HB3 H 1 2.01 . . 2 . . . . . . . . . 4940 1 340 . 1 1 36 36 LYS HG2 H 1 1.76 . . 2 . . . . . . . . . 4940 1 341 . 1 1 36 36 LYS HG3 H 1 1.70 . . 2 . . . . . . . . . 4940 1 342 . 1 1 36 36 LYS C C 13 177.06 . . 1 . . . . . . . . . 4940 1 343 . 1 1 36 36 LYS CA C 13 56.54 . . 1 . . . . . . . . . 4940 1 344 . 1 1 36 36 LYS CB C 13 32.18 . . 1 . . . . . . . . . 4940 1 345 . 1 1 36 36 LYS N N 15 117.09 . . 1 . . . . . . . . . 4940 1 346 . 1 1 37 37 GLY H H 1 8.17 . . 1 . . . . . . . . . 4940 1 347 . 1 1 37 37 GLY HA2 H 1 4.34 . . 2 . . . . . . . . . 4940 1 348 . 1 1 37 37 GLY HA3 H 1 3.23 . . 2 . . . . . . . . . 4940 1 349 . 1 1 37 37 GLY C C 13 173.28 . . 1 . . . . . . . . . 4940 1 350 . 1 1 37 37 GLY CA C 13 44.68 . . 1 . . . . . . . . . 4940 1 351 . 1 1 37 37 GLY N N 15 105.27 . . 1 . . . . . . . . . 4940 1 352 . 1 1 38 38 ASN H H 1 7.74 . . 1 . . . . . . . . . 4940 1 353 . 1 1 38 38 ASN HA H 1 4.89 . . 1 . . . . . . . . . 4940 1 354 . 1 1 38 38 ASN HB2 H 1 2.62 . . 1 . . . . . . . . . 4940 1 355 . 1 1 38 38 ASN HB3 H 1 2.62 . . 1 . . . . . . . . . 4940 1 356 . 1 1 38 38 ASN C C 13 173.39 . . 1 . . . . . . . . . 4940 1 357 . 1 1 38 38 ASN CA C 13 52.22 . . 1 . . . . . . . . . 4940 1 358 . 1 1 38 38 ASN N N 15 119.89 . . 1 . . . . . . . . . 4940 1 359 . 1 1 39 39 LEU H H 1 8.12 . . 1 . . . . . . . . . 4940 1 360 . 1 1 39 39 LEU HA H 1 4.41 . . 1 . . . . . . . . . 4940 1 361 . 1 1 39 39 LEU HG H 1 1.47 . . 1 . . . . . . . . . 4940 1 362 . 1 1 39 39 LEU HD11 H 1 0.64 . . 1 . . . . . . . . . 4940 1 363 . 1 1 39 39 LEU HD12 H 1 0.64 . . 1 . . . . . . . . . 4940 1 364 . 1 1 39 39 LEU HD13 H 1 0.64 . . 1 . . . . . . . . . 4940 1 365 . 1 1 39 39 LEU HD21 H 1 0.64 . . 1 . . . . . . . . . 4940 1 366 . 1 1 39 39 LEU HD22 H 1 0.64 . . 1 . . . . . . . . . 4940 1 367 . 1 1 39 39 LEU HD23 H 1 0.64 . . 1 . . . . . . . . . 4940 1 368 . 1 1 39 39 LEU C C 13 175.97 . . 1 . . . . . . . . . 4940 1 369 . 1 1 39 39 LEU CA C 13 55.56 . . 1 . . . . . . . . . 4940 1 370 . 1 1 39 39 LEU CG C 13 28.00 . . 1 . . . . . . . . . 4940 1 371 . 1 1 39 39 LEU CD1 C 13 24.80 . . 1 . . . . . . . . . 4940 1 372 . 1 1 39 39 LEU CD2 C 13 24.80 . . 1 . . . . . . . . . 4940 1 373 . 1 1 39 39 LEU N N 15 124.66 . . 1 . . . . . . . . . 4940 1 374 . 1 1 40 40 VAL HA H 1 4.52 . . 1 . . . . . . . . . 4940 1 375 . 1 1 40 40 VAL HB H 1 2.01 . . 1 . . . . . . . . . 4940 1 376 . 1 1 40 40 VAL HG11 H 1 0.89 . . 1 . . . . . . . . . 4940 1 377 . 1 1 40 40 VAL HG12 H 1 0.89 . . 1 . . . . . . . . . 4940 1 378 . 1 1 40 40 VAL HG13 H 1 0.89 . . 1 . . . . . . . . . 4940 1 379 . 1 1 40 40 VAL HG21 H 1 0.89 . . 1 . . . . . . . . . 4940 1 380 . 1 1 40 40 VAL HG22 H 1 0.89 . . 1 . . . . . . . . . 4940 1 381 . 1 1 40 40 VAL HG23 H 1 0.89 . . 1 . . . . . . . . . 4940 1 382 . 1 1 40 40 VAL C C 13 174.54 . . 1 . . . . . . . . . 4940 1 383 . 1 1 40 40 VAL CA C 13 59.85 . . 1 . . . . . . . . . 4940 1 384 . 1 1 40 40 VAL CB C 13 35.14 . . 1 . . . . . . . . . 4940 1 385 . 1 1 40 40 VAL CG1 C 13 19.26 . . 1 . . . . . . . . . 4940 1 386 . 1 1 40 40 VAL CG2 C 13 19.26 . . 1 . . . . . . . . . 4940 1 387 . 1 1 41 41 ASN H H 1 8.63 . . 1 . . . . . . . . . 4940 1 388 . 1 1 41 41 ASN HA H 1 4.06 . . 1 . . . . . . . . . 4940 1 389 . 1 1 41 41 ASN HB2 H 1 2.46 . . 1 . . . . . . . . . 4940 1 390 . 1 1 41 41 ASN HB3 H 1 2.46 . . 1 . . . . . . . . . 4940 1 391 . 1 1 41 41 ASN C C 13 174.28 . . 1 . . . . . . . . . 4940 1 392 . 1 1 41 41 ASN CA C 13 51.69 . . 1 . . . . . . . . . 4940 1 393 . 1 1 41 41 ASN CB C 13 35.35 . . 1 . . . . . . . . . 4940 1 394 . 1 1 41 41 ASN N N 15 123.75 . . 1 . . . . . . . . . 4940 1 395 . 1 1 42 42 GLU H H 1 7.25 . . 1 . . . . . . . . . 4940 1 396 . 1 1 42 42 GLU HA H 1 4.92 . . 1 . . . . . . . . . 4940 1 397 . 1 1 42 42 GLU HB2 H 1 2.00 . . 2 . . . . . . . . . 4940 1 398 . 1 1 42 42 GLU HB3 H 1 1.82 . . 2 . . . . . . . . . 4940 1 399 . 1 1 42 42 GLU HG2 H 1 2.23 . . 1 . . . . . . . . . 4940 1 400 . 1 1 42 42 GLU HG3 H 1 2.23 . . 1 . . . . . . . . . 4940 1 401 . 1 1 42 42 GLU C C 13 174.66 . . 1 . . . . . . . . . 4940 1 402 . 1 1 42 42 GLU CA C 13 52.08 . . 1 . . . . . . . . . 4940 1 403 . 1 1 42 42 GLU CB C 13 31.93 . . 1 . . . . . . . . . 4940 1 404 . 1 1 42 42 GLU N N 15 122.96 . . 1 . . . . . . . . . 4940 1 405 . 1 1 43 43 PRO HA H 1 4.93 . . 1 . . . . . . . . . 4940 1 406 . 1 1 43 43 PRO HB2 H 1 2.49 . . 2 . . . . . . . . . 4940 1 407 . 1 1 43 43 PRO HB3 H 1 2.04 . . 2 . . . . . . . . . 4940 1 408 . 1 1 43 43 PRO HG2 H 1 2.15 . . 2 . . . . . . . . . 4940 1 409 . 1 1 43 43 PRO HG3 H 1 1.94 . . 2 . . . . . . . . . 4940 1 410 . 1 1 43 43 PRO HD2 H 1 3.89 . . 2 . . . . . . . . . 4940 1 411 . 1 1 43 43 PRO HD3 H 1 3.82 . . 2 . . . . . . . . . 4940 1 412 . 1 1 43 43 PRO C C 13 177.40 . . 1 . . . . . . . . . 4940 1 413 . 1 1 43 43 PRO CA C 13 64.87 . . 1 . . . . . . . . . 4940 1 414 . 1 1 43 43 PRO CB C 13 32.75 . . 1 . . . . . . . . . 4940 1 415 . 1 1 43 43 PRO CG C 13 27.32 . . 1 . . . . . . . . . 4940 1 416 . 1 1 43 43 PRO CD C 13 51.71 . . 1 . . . . . . . . . 4940 1 417 . 1 1 44 44 SER H H 1 8.49 . . 1 . . . . . . . . . 4940 1 418 . 1 1 44 44 SER HA H 1 4.41 . . 1 . . . . . . . . . 4940 1 419 . 1 1 44 44 SER HB2 H 1 3.95 . . 2 . . . . . . . . . 4940 1 420 . 1 1 44 44 SER HB3 H 1 4.07 . . 2 . . . . . . . . . 4940 1 421 . 1 1 44 44 SER C C 13 174.94 . . 1 . . . . . . . . . 4940 1 422 . 1 1 44 44 SER CA C 13 61.39 . . 1 . . . . . . . . . 4940 1 423 . 1 1 44 44 SER CB C 13 62.28 . . 1 . . . . . . . . . 4940 1 424 . 1 1 44 44 SER N N 15 110.77 . . 1 . . . . . . . . . 4940 1 425 . 1 1 45 45 ILE H H 1 8.01 . . 1 . . . . . . . . . 4940 1 426 . 1 1 45 45 ILE HA H 1 5.19 . . 1 . . . . . . . . . 4940 1 427 . 1 1 45 45 ILE HB H 1 1.85 . . 1 . . . . . . . . . 4940 1 428 . 1 1 45 45 ILE HG12 H 1 1.57 . . 1 . . . . . . . . . 4940 1 429 . 1 1 45 45 ILE HG13 H 1 1.43 . . 1 . . . . . . . . . 4940 1 430 . 1 1 45 45 ILE HG21 H 1 1.34 . . 1 . . . . . . . . . 4940 1 431 . 1 1 45 45 ILE HG22 H 1 1.34 . . 1 . . . . . . . . . 4940 1 432 . 1 1 45 45 ILE HG23 H 1 1.34 . . 1 . . . . . . . . . 4940 1 433 . 1 1 45 45 ILE HD11 H 1 0.99 . . 1 . . . . . . . . . 4940 1 434 . 1 1 45 45 ILE HD12 H 1 0.99 . . 1 . . . . . . . . . 4940 1 435 . 1 1 45 45 ILE HD13 H 1 0.99 . . 1 . . . . . . . . . 4940 1 436 . 1 1 45 45 ILE C C 13 176.96 . . 1 . . . . . . . . . 4940 1 437 . 1 1 45 45 ILE CA C 13 58.70 . . 1 . . . . . . . . . 4940 1 438 . 1 1 45 45 ILE CB C 13 40.72 . . 1 . . . . . . . . . 4940 1 439 . 1 1 45 45 ILE CG1 C 13 29.77 . . 1 . . . . . . . . . 4940 1 440 . 1 1 45 45 ILE CG2 C 13 19.60 . . 1 . . . . . . . . . 4940 1 441 . 1 1 45 45 ILE CD1 C 13 14.64 . . 1 . . . . . . . . . 4940 1 442 . 1 1 45 45 ILE N N 15 115.92 . . 1 . . . . . . . . . 4940 1 443 . 1 1 46 46 THR H H 1 9.26 . . 1 . . . . . . . . . 4940 1 444 . 1 1 46 46 THR HA H 1 4.17 . . 1 . . . . . . . . . 4940 1 445 . 1 1 46 46 THR HB H 1 4.47 . . 1 . . . . . . . . . 4940 1 446 . 1 1 46 46 THR HG21 H 1 1.53 . . 1 . . . . . . . . . 4940 1 447 . 1 1 46 46 THR HG22 H 1 1.53 . . 1 . . . . . . . . . 4940 1 448 . 1 1 46 46 THR HG23 H 1 1.53 . . 1 . . . . . . . . . 4940 1 449 . 1 1 46 46 THR C C 13 178.38 . . 1 . . . . . . . . . 4940 1 450 . 1 1 46 46 THR CA C 13 65.86 . . 1 . . . . . . . . . 4940 1 451 . 1 1 46 46 THR CB C 13 65.79 . . 1 . . . . . . . . . 4940 1 452 . 1 1 46 46 THR CG2 C 13 25.76 . . 1 . . . . . . . . . 4940 1 453 . 1 1 46 46 THR N N 15 120.43 . . 1 . . . . . . . . . 4940 1 454 . 1 1 47 47 CYS H H 1 9.24 . . 1 . . . . . . . . . 4940 1 455 . 1 1 47 47 CYS HA H 1 4.82 . . 1 . . . . . . . . . 4940 1 456 . 1 1 47 47 CYS HB2 H 1 2.58 . . 2 . . . . . . . . . 4940 1 457 . 1 1 47 47 CYS HB3 H 1 2.07 . . 2 . . . . . . . . . 4940 1 458 . 1 1 47 47 CYS C C 13 178.70 . . 1 . . . . . . . . . 4940 1 459 . 1 1 47 47 CYS CA C 13 54.02 . . 1 . . . . . . . . . 4940 1 460 . 1 1 47 47 CYS CB C 13 36.31 . . 1 . . . . . . . . . 4940 1 461 . 1 1 47 47 CYS N N 15 117.82 . . 1 . . . . . . . . . 4940 1 462 . 1 1 48 48 TYR H H 1 6.62 . . 1 . . . . . . . . . 4940 1 463 . 1 1 48 48 TYR HA H 1 3.90 . . 1 . . . . . . . . . 4940 1 464 . 1 1 48 48 TYR HB2 H 1 3.76 . . 2 . . . . . . . . . 4940 1 465 . 1 1 48 48 TYR HB3 H 1 3.29 . . 2 . . . . . . . . . 4940 1 466 . 1 1 48 48 TYR C C 13 175.58 . . 1 . . . . . . . . . 4940 1 467 . 1 1 48 48 TYR CA C 13 62.48 . . 1 . . . . . . . . . 4940 1 468 . 1 1 48 48 TYR CB C 13 37.38 . . 1 . . . . . . . . . 4940 1 469 . 1 1 48 48 TYR N N 15 120.88 . . 1 . . . . . . . . . 4940 1 470 . 1 1 49 49 MET H H 1 7.73 . . 1 . . . . . . . . . 4940 1 471 . 1 1 49 49 MET HA H 1 3.58 . . 1 . . . . . . . . . 4940 1 472 . 1 1 49 49 MET HB2 H 1 2.10 . . 1 . . . . . . . . . 4940 1 473 . 1 1 49 49 MET HB3 H 1 2.10 . . 1 . . . . . . . . . 4940 1 474 . 1 1 49 49 MET HG2 H 1 2.55 . . 2 . . . . . . . . . 4940 1 475 . 1 1 49 49 MET HG3 H 1 2.48 . . 2 . . . . . . . . . 4940 1 476 . 1 1 49 49 MET C C 13 177.42 . . 1 . . . . . . . . . 4940 1 477 . 1 1 49 49 MET CA C 13 60.42 . . 1 . . . . . . . . . 4940 1 478 . 1 1 49 49 MET CB C 13 34.17 . . 1 . . . . . . . . . 4940 1 479 . 1 1 49 49 MET N N 15 116.92 . . 1 . . . . . . . . . 4940 1 480 . 1 1 50 50 TYR H H 1 7.9 . . 1 . . . . . . . . . 4940 1 481 . 1 1 50 50 TYR HA H 1 3.91 . . 1 . . . . . . . . . 4940 1 482 . 1 1 50 50 TYR HB2 H 1 3.08 . . 2 . . . . . . . . . 4940 1 483 . 1 1 50 50 TYR HB3 H 1 2.96 . . 2 . . . . . . . . . 4940 1 484 . 1 1 50 50 TYR HD1 H 1 6.85 . . 1 . . . . . . . . . 4940 1 485 . 1 1 50 50 TYR HD2 H 1 6.85 . . 1 . . . . . . . . . 4940 1 486 . 1 1 50 50 TYR HE1 H 1 6.44 . . 1 . . . . . . . . . 4940 1 487 . 1 1 50 50 TYR HE2 H 1 6.44 . . 1 . . . . . . . . . 4940 1 488 . 1 1 50 50 TYR C C 13 174.00 . . 1 . . . . . . . . . 4940 1 489 . 1 1 50 50 TYR CA C 13 62.48 . . 1 . . . . . . . . . 4940 1 490 . 1 1 50 50 TYR CB C 13 37.88 . . 1 . . . . . . . . . 4940 1 491 . 1 1 50 50 TYR N N 15 115.74 . . 1 . . . . . . . . . 4940 1 492 . 1 1 51 51 CYS H H 1 8.06 . . 1 . . . . . . . . . 4940 1 493 . 1 1 51 51 CYS HA H 1 3.88 . . 1 . . . . . . . . . 4940 1 494 . 1 1 51 51 CYS HB2 H 1 3.40 . . 2 . . . . . . . . . 4940 1 495 . 1 1 51 51 CYS HB3 H 1 3.33 . . 2 . . . . . . . . . 4940 1 496 . 1 1 51 51 CYS C C 13 176.99 . . 1 . . . . . . . . . 4940 1 497 . 1 1 51 51 CYS CA C 13 59.65 . . 1 . . . . . . . . . 4940 1 498 . 1 1 51 51 CYS CB C 13 36.92 . . 1 . . . . . . . . . 4940 1 499 . 1 1 51 51 CYS N N 15 118.21 . . 1 . . . . . . . . . 4940 1 500 . 1 1 52 52 LEU H H 1 8.19 . . 1 . . . . . . . . . 4940 1 501 . 1 1 52 52 LEU HA H 1 3.87 . . 1 . . . . . . . . . 4940 1 502 . 1 1 52 52 LEU HB2 H 1 1.40 . . 1 . . . . . . . . . 4940 1 503 . 1 1 52 52 LEU HB3 H 1 1.40 . . 1 . . . . . . . . . 4940 1 504 . 1 1 52 52 LEU HD11 H 1 0.96 . . 2 . . . . . . . . . 4940 1 505 . 1 1 52 52 LEU HD12 H 1 0.96 . . 2 . . . . . . . . . 4940 1 506 . 1 1 52 52 LEU HD13 H 1 0.96 . . 2 . . . . . . . . . 4940 1 507 . 1 1 52 52 LEU HD21 H 1 0.76 . . 2 . . . . . . . . . 4940 1 508 . 1 1 52 52 LEU HD22 H 1 0.76 . . 2 . . . . . . . . . 4940 1 509 . 1 1 52 52 LEU HD23 H 1 0.76 . . 2 . . . . . . . . . 4940 1 510 . 1 1 52 52 LEU C C 13 178.22 . . 1 . . . . . . . . . 4940 1 511 . 1 1 52 52 LEU CA C 13 57.60 . . 1 . . . . . . . . . 4940 1 512 . 1 1 52 52 LEU CB C 13 42.34 . . 1 . . . . . . . . . 4940 1 513 . 1 1 52 52 LEU N N 15 122.28 . . 1 . . . . . . . . . 4940 1 514 . 1 1 53 53 LEU H H 1 7.59 . . 1 . . . . . . . . . 4940 1 515 . 1 1 53 53 LEU HA H 1 3.95 . . 1 . . . . . . . . . 4940 1 516 . 1 1 53 53 LEU HB2 H 1 1.87 . . 1 . . . . . . . . . 4940 1 517 . 1 1 53 53 LEU HB3 H 1 1.87 . . 1 . . . . . . . . . 4940 1 518 . 1 1 53 53 LEU HG H 1 1.20 . . 1 . . . . . . . . . 4940 1 519 . 1 1 53 53 LEU HD11 H 1 0.78 . . 1 . . . . . . . . . 4940 1 520 . 1 1 53 53 LEU HD12 H 1 0.78 . . 1 . . . . . . . . . 4940 1 521 . 1 1 53 53 LEU HD13 H 1 0.78 . . 1 . . . . . . . . . 4940 1 522 . 1 1 53 53 LEU HD21 H 1 0.78 . . 1 . . . . . . . . . 4940 1 523 . 1 1 53 53 LEU HD22 H 1 0.78 . . 1 . . . . . . . . . 4940 1 524 . 1 1 53 53 LEU HD23 H 1 0.78 . . 1 . . . . . . . . . 4940 1 525 . 1 1 53 53 LEU C C 13 180.10 . . 1 . . . . . . . . . 4940 1 526 . 1 1 53 53 LEU CA C 13 57.95 . . 1 . . . . . . . . . 4940 1 527 . 1 1 53 53 LEU CB C 13 42.47 . . 1 . . . . . . . . . 4940 1 528 . 1 1 53 53 LEU N N 15 115.24 . . 1 . . . . . . . . . 4940 1 529 . 1 1 54 54 GLU H H 1 8.64 . . 1 . . . . . . . . . 4940 1 530 . 1 1 54 54 GLU HA H 1 3.76 . . 1 . . . . . . . . . 4940 1 531 . 1 1 54 54 GLU HB2 H 1 1.78 . . 1 . . . . . . . . . 4940 1 532 . 1 1 54 54 GLU HB3 H 1 1.78 . . 1 . . . . . . . . . 4940 1 533 . 1 1 54 54 GLU HG2 H 1 2.33 . . 2 . . . . . . . . . 4940 1 534 . 1 1 54 54 GLU HG3 H 1 2.22 . . 2 . . . . . . . . . 4940 1 535 . 1 1 54 54 GLU C C 13 179.87 . . 1 . . . . . . . . . 4940 1 536 . 1 1 54 54 GLU CA C 13 59.29 . . 1 . . . . . . . . . 4940 1 537 . 1 1 54 54 GLU CB C 13 27.58 . . 1 . . . . . . . . . 4940 1 538 . 1 1 54 54 GLU N N 15 121.08 . . 1 . . . . . . . . . 4940 1 539 . 1 1 55 55 ALA H H 1 7.82 . . 1 . . . . . . . . . 4940 1 540 . 1 1 55 55 ALA HA H 1 3.86 . . 1 . . . . . . . . . 4940 1 541 . 1 1 55 55 ALA HB1 H 1 1.20 . . 1 . . . . . . . . . 4940 1 542 . 1 1 55 55 ALA HB2 H 1 1.20 . . 1 . . . . . . . . . 4940 1 543 . 1 1 55 55 ALA HB3 H 1 1.20 . . 1 . . . . . . . . . 4940 1 544 . 1 1 55 55 ALA C C 13 178.28 . . 1 . . . . . . . . . 4940 1 545 . 1 1 55 55 ALA CA C 13 54.28 . . 1 . . . . . . . . . 4940 1 546 . 1 1 55 55 ALA CB C 13 17.09 . . 1 . . . . . . . . . 4940 1 547 . 1 1 55 55 ALA N N 15 121.92 . . 1 . . . . . . . . . 4940 1 548 . 1 1 56 56 PHE H H 1 6.96 . . 1 . . . . . . . . . 4940 1 549 . 1 1 56 56 PHE HA H 1 4.55 . . 1 . . . . . . . . . 4940 1 550 . 1 1 56 56 PHE HB2 H 1 3.51 . . 2 . . . . . . . . . 4940 1 551 . 1 1 56 56 PHE HB3 H 1 2.42 . . 2 . . . . . . . . . 4940 1 552 . 1 1 56 56 PHE C C 13 173.82 . . 1 . . . . . . . . . 4940 1 553 . 1 1 56 56 PHE CA C 13 58.30 . . 1 . . . . . . . . . 4940 1 554 . 1 1 56 56 PHE CB C 13 39.42 . . 1 . . . . . . . . . 4940 1 555 . 1 1 56 56 PHE N N 15 113.49 . . 1 . . . . . . . . . 4940 1 556 . 1 1 57 57 SER H H 1 7.92 . . 1 . . . . . . . . . 4940 1 557 . 1 1 57 57 SER HA H 1 4.15 . . 1 . . . . . . . . . 4940 1 558 . 1 1 57 57 SER HB2 H 1 4.02 . . 2 . . . . . . . . . 4940 1 559 . 1 1 57 57 SER HB3 H 1 3.77 . . 2 . . . . . . . . . 4940 1 560 . 1 1 57 57 SER C C 13 173.60 . . 1 . . . . . . . . . 4940 1 561 . 1 1 57 57 SER CA C 13 59.69 . . 1 . . . . . . . . . 4940 1 562 . 1 1 57 57 SER CB C 13 60.73 . . 1 . . . . . . . . . 4940 1 563 . 1 1 57 57 SER N N 15 108.49 . . 1 . . . . . . . . . 4940 1 564 . 1 1 58 58 LEU H H 1 8.10 . . 1 . . . . . . . . . 4940 1 565 . 1 1 58 58 LEU HA H 1 4.15 . . 1 . . . . . . . . . 4940 1 566 . 1 1 58 58 LEU HB2 H 1 1.80 . . 2 . . . . . . . . . 4940 1 567 . 1 1 58 58 LEU HB3 H 1 1.72 . . 2 . . . . . . . . . 4940 1 568 . 1 1 58 58 LEU HG H 1 1.46 . . 1 . . . . . . . . . 4940 1 569 . 1 1 58 58 LEU HD11 H 1 0.93 . . 2 . . . . . . . . . 4940 1 570 . 1 1 58 58 LEU HD12 H 1 0.93 . . 2 . . . . . . . . . 4940 1 571 . 1 1 58 58 LEU HD13 H 1 0.93 . . 2 . . . . . . . . . 4940 1 572 . 1 1 58 58 LEU HD21 H 1 0.88 . . 2 . . . . . . . . . 4940 1 573 . 1 1 58 58 LEU HD22 H 1 0.88 . . 2 . . . . . . . . . 4940 1 574 . 1 1 58 58 LEU HD23 H 1 0.88 . . 2 . . . . . . . . . 4940 1 575 . 1 1 58 58 LEU C C 13 177.19 . . 1 . . . . . . . . . 4940 1 576 . 1 1 58 58 LEU CA C 13 56.87 . . 1 . . . . . . . . . 4940 1 577 . 1 1 58 58 LEU CB C 13 43.21 . . 1 . . . . . . . . . 4940 1 578 . 1 1 58 58 LEU N N 15 117.09 . . 1 . . . . . . . . . 4940 1 579 . 1 1 59 59 VAL H H 1 6.94 . . 1 . . . . . . . . . 4940 1 580 . 1 1 59 59 VAL HA H 1 5.24 . . 1 . . . . . . . . . 4940 1 581 . 1 1 59 59 VAL HB H 1 1.96 . . 1 . . . . . . . . . 4940 1 582 . 1 1 59 59 VAL HG11 H 1 0.57 . . 2 . . . . . . . . . 4940 1 583 . 1 1 59 59 VAL HG12 H 1 0.57 . . 2 . . . . . . . . . 4940 1 584 . 1 1 59 59 VAL HG13 H 1 0.57 . . 2 . . . . . . . . . 4940 1 585 . 1 1 59 59 VAL HG21 H 1 0.72 . . 2 . . . . . . . . . 4940 1 586 . 1 1 59 59 VAL HG22 H 1 0.72 . . 2 . . . . . . . . . 4940 1 587 . 1 1 59 59 VAL HG23 H 1 0.72 . . 2 . . . . . . . . . 4940 1 588 . 1 1 59 59 VAL C C 13 174.70 . . 1 . . . . . . . . . 4940 1 589 . 1 1 59 59 VAL CA C 13 56.96 . . 1 . . . . . . . . . 4940 1 590 . 1 1 59 59 VAL CB C 13 36.07 . . 1 . . . . . . . . . 4940 1 591 . 1 1 59 59 VAL CG1 C 13 19.10 . . 2 . . . . . . . . . 4940 1 592 . 1 1 59 59 VAL CG2 C 13 22.57 . . 2 . . . . . . . . . 4940 1 593 . 1 1 59 59 VAL N N 15 104.59 . . 1 . . . . . . . . . 4940 1 594 . 1 1 60 60 ASP H H 1 7.64 . . 1 . . . . . . . . . 4940 1 595 . 1 1 60 60 ASP HA H 1 4.91 . . 1 . . . . . . . . . 4940 1 596 . 1 1 60 60 ASP HB2 H 1 3.42 . . 2 . . . . . . . . . 4940 1 597 . 1 1 60 60 ASP HB3 H 1 2.86 . . 2 . . . . . . . . . 4940 1 598 . 1 1 60 60 ASP C C 13 178.75 . . 1 . . . . . . . . . 4940 1 599 . 1 1 60 60 ASP CA C 13 51.99 . . 1 . . . . . . . . . 4940 1 600 . 1 1 60 60 ASP CB C 13 41.74 . . 1 . . . . . . . . . 4940 1 601 . 1 1 60 60 ASP N N 15 119.38 . . 1 . . . . . . . . . 4940 1 602 . 1 1 61 61 ASP H H 1 8.42 . . 1 . . . . . . . . . 4940 1 603 . 1 1 61 61 ASP HA H 1 4.63 . . 1 . . . . . . . . . 4940 1 604 . 1 1 61 61 ASP HB2 H 1 2.89 . . 2 . . . . . . . . . 4940 1 605 . 1 1 61 61 ASP HB3 H 1 2.79 . . 2 . . . . . . . . . 4940 1 606 . 1 1 61 61 ASP C C 13 176.53 . . 1 . . . . . . . . . 4940 1 607 . 1 1 61 61 ASP CA C 13 55.64 . . 1 . . . . . . . . . 4940 1 608 . 1 1 61 61 ASP CB C 13 39.32 . . 1 . . . . . . . . . 4940 1 609 . 1 1 61 61 ASP N N 15 116.77 . . 1 . . . . . . . . . 4940 1 610 . 1 1 62 62 GLU H H 1 8.24 . . 1 . . . . . . . . . 4940 1 611 . 1 1 62 62 GLU HA H 1 4.76 . . 1 . . . . . . . . . 4940 1 612 . 1 1 62 62 GLU HB2 H 1 2.25 . . 2 . . . . . . . . . 4940 1 613 . 1 1 62 62 GLU HB3 H 1 1.69 . . 2 . . . . . . . . . 4940 1 614 . 1 1 62 62 GLU HG2 H 1 2.17 . . 1 . . . . . . . . . 4940 1 615 . 1 1 62 62 GLU HG3 H 1 2.17 . . 1 . . . . . . . . . 4940 1 616 . 1 1 62 62 GLU C C 13 174.44 . . 1 . . . . . . . . . 4940 1 617 . 1 1 62 62 GLU CA C 13 55.27 . . 1 . . . . . . . . . 4940 1 618 . 1 1 62 62 GLU CB C 13 29.52 . . 1 . . . . . . . . . 4940 1 619 . 1 1 62 62 GLU N N 15 120.24 . . 1 . . . . . . . . . 4940 1 620 . 1 1 63 63 ALA H H 1 8.06 . . 1 . . . . . . . . . 4940 1 621 . 1 1 63 63 ALA HA H 1 3.65 . . 1 . . . . . . . . . 4940 1 622 . 1 1 63 63 ALA HB1 H 1 1.38 . . 1 . . . . . . . . . 4940 1 623 . 1 1 63 63 ALA HB2 H 1 1.38 . . 1 . . . . . . . . . 4940 1 624 . 1 1 63 63 ALA HB3 H 1 1.38 . . 1 . . . . . . . . . 4940 1 625 . 1 1 63 63 ALA C C 13 175.31 . . 1 . . . . . . . . . 4940 1 626 . 1 1 63 63 ALA CA C 13 53.53 . . 1 . . . . . . . . . 4940 1 627 . 1 1 63 63 ALA CB C 13 17.16 . . 1 . . . . . . . . . 4940 1 628 . 1 1 63 63 ALA N N 15 113.66 . . 1 . . . . . . . . . 4940 1 629 . 1 1 64 64 ASN H H 1 8.72 . . 1 . . . . . . . . . 4940 1 630 . 1 1 64 64 ASN HA H 1 4.94 . . 1 . . . . . . . . . 4940 1 631 . 1 1 64 64 ASN HB2 H 1 2.92 . . 2 . . . . . . . . . 4940 1 632 . 1 1 64 64 ASN HB3 H 1 2.54 . . 2 . . . . . . . . . 4940 1 633 . 1 1 64 64 ASN C C 13 176.65 . . 1 . . . . . . . . . 4940 1 634 . 1 1 64 64 ASN CA C 13 53.10 . . 1 . . . . . . . . . 4940 1 635 . 1 1 64 64 ASN CB C 13 38.42 . . 1 . . . . . . . . . 4940 1 636 . 1 1 64 64 ASN N N 15 114.74 . . 1 . . . . . . . . . 4940 1 637 . 1 1 65 65 VAL H H 1 8.13 . . 1 . . . . . . . . . 4940 1 638 . 1 1 65 65 VAL HA H 1 4.41 . . 1 . . . . . . . . . 4940 1 639 . 1 1 65 65 VAL HB H 1 1.98 . . 1 . . . . . . . . . 4940 1 640 . 1 1 65 65 VAL HG11 H 1 0.88 . . 2 . . . . . . . . . 4940 1 641 . 1 1 65 65 VAL HG12 H 1 0.88 . . 2 . . . . . . . . . 4940 1 642 . 1 1 65 65 VAL HG13 H 1 0.88 . . 2 . . . . . . . . . 4940 1 643 . 1 1 65 65 VAL HG21 H 1 0.81 . . 2 . . . . . . . . . 4940 1 644 . 1 1 65 65 VAL HG22 H 1 0.81 . . 2 . . . . . . . . . 4940 1 645 . 1 1 65 65 VAL HG23 H 1 0.81 . . 2 . . . . . . . . . 4940 1 646 . 1 1 65 65 VAL C C 13 175.38 . . 1 . . . . . . . . . 4940 1 647 . 1 1 65 65 VAL CA C 13 61.93 . . 1 . . . . . . . . . 4940 1 648 . 1 1 65 65 VAL CB C 13 33.62 . . 1 . . . . . . . . . 4940 1 649 . 1 1 65 65 VAL CG1 C 13 20.44 . . 2 . . . . . . . . . 4940 1 650 . 1 1 65 65 VAL CG2 C 13 20.79 . . 2 . . . . . . . . . 4940 1 651 . 1 1 65 65 VAL N N 15 124.53 . . 1 . . . . . . . . . 4940 1 652 . 1 1 66 66 ASP H H 1 8.31 . . 1 . . . . . . . . . 4940 1 653 . 1 1 66 66 ASP HA H 1 4.74 . . 1 . . . . . . . . . 4940 1 654 . 1 1 66 66 ASP HB2 H 1 3.03 . . 2 . . . . . . . . . 4940 1 655 . 1 1 66 66 ASP HB3 H 1 2.48 . . 2 . . . . . . . . . 4940 1 656 . 1 1 66 66 ASP C C 13 175.23 . . 1 . . . . . . . . . 4940 1 657 . 1 1 66 66 ASP CA C 13 52.28 . . 1 . . . . . . . . . 4940 1 658 . 1 1 66 66 ASP CB C 13 38.72 . . 1 . . . . . . . . . 4940 1 659 . 1 1 66 66 ASP N N 15 127.38 . . 1 . . . . . . . . . 4940 1 660 . 1 1 67 67 GLU H H 1 8.63 . . 1 . . . . . . . . . 4940 1 661 . 1 1 67 67 GLU HA H 1 3.61 . . 1 . . . . . . . . . 4940 1 662 . 1 1 67 67 GLU HB2 H 1 2.04 . . 2 . . . . . . . . . 4940 1 663 . 1 1 67 67 GLU HB3 H 1 1.91 . . 2 . . . . . . . . . 4940 1 664 . 1 1 67 67 GLU HG2 H 1 2.36 . . 1 . . . . . . . . . 4940 1 665 . 1 1 67 67 GLU HG3 H 1 2.36 . . 1 . . . . . . . . . 4940 1 666 . 1 1 67 67 GLU C C 13 176.97 . . 1 . . . . . . . . . 4940 1 667 . 1 1 67 67 GLU CA C 13 59.86 . . 1 . . . . . . . . . 4940 1 668 . 1 1 67 67 GLU CB C 13 28.74 . . 1 . . . . . . . . . 4940 1 669 . 1 1 67 67 GLU N N 15 125.49 . . 1 . . . . . . . . . 4940 1 670 . 1 1 68 68 ASP H H 1 8.23 . . 1 . . . . . . . . . 4940 1 671 . 1 1 68 68 ASP HA H 1 4.35 . . 1 . . . . . . . . . 4940 1 672 . 1 1 68 68 ASP HB2 H 1 2.76 . . 2 . . . . . . . . . 4940 1 673 . 1 1 68 68 ASP HB3 H 1 2.66 . . 2 . . . . . . . . . 4940 1 674 . 1 1 68 68 ASP C C 13 179.65 . . 1 . . . . . . . . . 4940 1 675 . 1 1 68 68 ASP CA C 13 57.35 . . 1 . . . . . . . . . 4940 1 676 . 1 1 68 68 ASP CB C 13 39.46 . . 1 . . . . . . . . . 4940 1 677 . 1 1 68 68 ASP N N 15 116.85 . . 1 . . . . . . . . . 4940 1 678 . 1 1 69 69 ILE H H 1 7.52 . . 1 . . . . . . . . . 4940 1 679 . 1 1 69 69 ILE HA H 1 3.81 . . 1 . . . . . . . . . 4940 1 680 . 1 1 69 69 ILE HB H 1 1.80 . . 1 . . . . . . . . . 4940 1 681 . 1 1 69 69 ILE HG12 H 1 1.57 . . 1 . . . . . . . . . 4940 1 682 . 1 1 69 69 ILE HG13 H 1 1.57 . . 1 . . . . . . . . . 4940 1 683 . 1 1 69 69 ILE HG21 H 1 1.20 . . 1 . . . . . . . . . 4940 1 684 . 1 1 69 69 ILE HG22 H 1 1.20 . . 1 . . . . . . . . . 4940 1 685 . 1 1 69 69 ILE HG23 H 1 1.20 . . 1 . . . . . . . . . 4940 1 686 . 1 1 69 69 ILE HD11 H 1 0.82 . . 1 . . . . . . . . . 4940 1 687 . 1 1 69 69 ILE HD12 H 1 0.82 . . 1 . . . . . . . . . 4940 1 688 . 1 1 69 69 ILE HD13 H 1 0.82 . . 1 . . . . . . . . . 4940 1 689 . 1 1 69 69 ILE C C 13 178.81 . . 1 . . . . . . . . . 4940 1 690 . 1 1 69 69 ILE CA C 13 63.24 . . 1 . . . . . . . . . 4940 1 691 . 1 1 69 69 ILE CB C 13 37.02 . . 1 . . . . . . . . . 4940 1 692 . 1 1 69 69 ILE CG2 C 13 17.23 . . 1 . . . . . . . . . 4940 1 693 . 1 1 69 69 ILE CD1 C 13 11.50 . . 1 . . . . . . . . . 4940 1 694 . 1 1 69 69 ILE N N 15 120.60 . . 1 . . . . . . . . . 4940 1 695 . 1 1 70 70 MET H H 1 7.78 . . 1 . . . . . . . . . 4940 1 696 . 1 1 70 70 MET HA H 1 3.88 . . 1 . . . . . . . . . 4940 1 697 . 1 1 70 70 MET HB2 H 1 1.94 . . 1 . . . . . . . . . 4940 1 698 . 1 1 70 70 MET HB3 H 1 1.94 . . 1 . . . . . . . . . 4940 1 699 . 1 1 70 70 MET C C 13 177.65 . . 1 . . . . . . . . . 4940 1 700 . 1 1 70 70 MET CA C 13 59.59 . . 1 . . . . . . . . . 4940 1 701 . 1 1 70 70 MET CB C 13 32.82 . . 1 . . . . . . . . . 4940 1 702 . 1 1 70 70 MET N N 15 118.21 . . 1 . . . . . . . . . 4940 1 703 . 1 1 71 71 LEU H H 1 8.55 . . 1 . . . . . . . . . 4940 1 704 . 1 1 71 71 LEU HA H 1 3.89 . . 1 . . . . . . . . . 4940 1 705 . 1 1 71 71 LEU HB2 H 1 1.80 . . 2 . . . . . . . . . 4940 1 706 . 1 1 71 71 LEU HB3 H 1 1.63 . . 2 . . . . . . . . . 4940 1 707 . 1 1 71 71 LEU HG H 1 1.63 . . 1 . . . . . . . . . 4940 1 708 . 1 1 71 71 LEU HD11 H 1 0.90 . . 2 . . . . . . . . . 4940 1 709 . 1 1 71 71 LEU HD12 H 1 0.90 . . 2 . . . . . . . . . 4940 1 710 . 1 1 71 71 LEU HD13 H 1 0.90 . . 2 . . . . . . . . . 4940 1 711 . 1 1 71 71 LEU HD21 H 1 0.78 . . 2 . . . . . . . . . 4940 1 712 . 1 1 71 71 LEU HD22 H 1 0.78 . . 2 . . . . . . . . . 4940 1 713 . 1 1 71 71 LEU HD23 H 1 0.78 . . 2 . . . . . . . . . 4940 1 714 . 1 1 71 71 LEU C C 13 179.76 . . 1 . . . . . . . . . 4940 1 715 . 1 1 71 71 LEU CA C 13 58.04 . . 1 . . . . . . . . . 4940 1 716 . 1 1 71 71 LEU CB C 13 40.57 . . 1 . . . . . . . . . 4940 1 717 . 1 1 71 71 LEU CD2 C 13 23.44 . . 2 . . . . . . . . . 4940 1 718 . 1 1 71 71 LEU N N 15 115.40 . . 1 . . . . . . . . . 4940 1 719 . 1 1 72 72 GLY H H 1 7.52 . . 1 . . . . . . . . . 4940 1 720 . 1 1 72 72 GLY HA2 H 1 3.99 . . 2 . . . . . . . . . 4940 1 721 . 1 1 72 72 GLY HA3 H 1 3.81 . . 2 . . . . . . . . . 4940 1 722 . 1 1 72 72 GLY C C 13 175.20 . . 1 . . . . . . . . . 4940 1 723 . 1 1 72 72 GLY CA C 13 46.10 . . 1 . . . . . . . . . 4940 1 724 . 1 1 72 72 GLY N N 15 103.14 . . 1 . . . . . . . . . 4940 1 725 . 1 1 73 73 LEU H H 1 7.36 . . 1 . . . . . . . . . 4940 1 726 . 1 1 73 73 LEU HA H 1 4.35 . . 1 . . . . . . . . . 4940 1 727 . 1 1 73 73 LEU HB2 H 1 1.95 . . 2 . . . . . . . . . 4940 1 728 . 1 1 73 73 LEU HB3 H 1 1.55 . . 2 . . . . . . . . . 4940 1 729 . 1 1 73 73 LEU HG H 1 1.63 . . 1 . . . . . . . . . 4940 1 730 . 1 1 73 73 LEU HD11 H 1 0.90 . . 2 . . . . . . . . . 4940 1 731 . 1 1 73 73 LEU HD12 H 1 0.90 . . 2 . . . . . . . . . 4940 1 732 . 1 1 73 73 LEU HD13 H 1 0.90 . . 2 . . . . . . . . . 4940 1 733 . 1 1 73 73 LEU HD21 H 1 0.85 . . 2 . . . . . . . . . 4940 1 734 . 1 1 73 73 LEU HD22 H 1 0.85 . . 2 . . . . . . . . . 4940 1 735 . 1 1 73 73 LEU HD23 H 1 0.85 . . 2 . . . . . . . . . 4940 1 736 . 1 1 73 73 LEU C C 13 177.04 . . 1 . . . . . . . . . 4940 1 737 . 1 1 73 73 LEU CA C 13 55.15 . . 1 . . . . . . . . . 4940 1 738 . 1 1 73 73 LEU CB C 13 43.01 . . 1 . . . . . . . . . 4940 1 739 . 1 1 73 73 LEU N N 15 118.43 . . 1 . . . . . . . . . 4940 1 740 . 1 1 74 74 LEU H H 1 7.23 . . 1 . . . . . . . . . 4940 1 741 . 1 1 74 74 LEU HA H 1 4.43 . . 1 . . . . . . . . . 4940 1 742 . 1 1 74 74 LEU HB2 H 1 2.01 . . 2 . . . . . . . . . 4940 1 743 . 1 1 74 74 LEU HB3 H 1 1.43 . . 2 . . . . . . . . . 4940 1 744 . 1 1 74 74 LEU HG H 1 1.65 . . 1 . . . . . . . . . 4940 1 745 . 1 1 74 74 LEU HD11 H 1 0.99 . . 2 . . . . . . . . . 4940 1 746 . 1 1 74 74 LEU HD12 H 1 0.99 . . 2 . . . . . . . . . 4940 1 747 . 1 1 74 74 LEU HD13 H 1 0.99 . . 2 . . . . . . . . . 4940 1 748 . 1 1 74 74 LEU HD21 H 1 0.75 . . 2 . . . . . . . . . 4940 1 749 . 1 1 74 74 LEU HD22 H 1 0.75 . . 2 . . . . . . . . . 4940 1 750 . 1 1 74 74 LEU HD23 H 1 0.75 . . 2 . . . . . . . . . 4940 1 751 . 1 1 74 74 LEU C C 13 174.42 . . 1 . . . . . . . . . 4940 1 752 . 1 1 74 74 LEU CA C 13 52.11 . . 1 . . . . . . . . . 4940 1 753 . 1 1 74 74 LEU CB C 13 41.82 . . 1 . . . . . . . . . 4940 1 754 . 1 1 74 74 LEU N N 15 117.72 . . 1 . . . . . . . . . 4940 1 755 . 1 1 75 75 PRO HA H 1 4.45 . . 1 . . . . . . . . . 4940 1 756 . 1 1 75 75 PRO HB2 H 1 2.36 . . 2 . . . . . . . . . 4940 1 757 . 1 1 75 75 PRO HB3 H 1 1.75 . . 2 . . . . . . . . . 4940 1 758 . 1 1 75 75 PRO C C 13 178.11 . . 1 . . . . . . . . . 4940 1 759 . 1 1 75 75 PRO CA C 13 62.32 . . 1 . . . . . . . . . 4940 1 760 . 1 1 75 75 PRO CB C 13 32.50 . . 1 . . . . . . . . . 4940 1 761 . 1 1 76 76 ASP H H 1 8.89 . . 1 . . . . . . . . . 4940 1 762 . 1 1 76 76 ASP HA H 1 4.21 . . 1 . . . . . . . . . 4940 1 763 . 1 1 76 76 ASP HB2 H 1 2.65 . . 1 . . . . . . . . . 4940 1 764 . 1 1 76 76 ASP HB3 H 1 2.65 . . 1 . . . . . . . . . 4940 1 765 . 1 1 76 76 ASP C C 13 179.06 . . 1 . . . . . . . . . 4940 1 766 . 1 1 76 76 ASP CA C 13 57.86 . . 1 . . . . . . . . . 4940 1 767 . 1 1 76 76 ASP CB C 13 40.42 . . 1 . . . . . . . . . 4940 1 768 . 1 1 76 76 ASP N N 15 122.88 . . 1 . . . . . . . . . 4940 1 769 . 1 1 77 77 GLN H H 1 9.09 . . 1 . . . . . . . . . 4940 1 770 . 1 1 77 77 GLN HA H 1 4.20 . . 1 . . . . . . . . . 4940 1 771 . 1 1 77 77 GLN HB2 H 1 2.07 . . 1 . . . . . . . . . 4940 1 772 . 1 1 77 77 GLN HB3 H 1 2.07 . . 1 . . . . . . . . . 4940 1 773 . 1 1 77 77 GLN HG2 H 1 2.45 . . 2 . . . . . . . . . 4940 1 774 . 1 1 77 77 GLN HG3 H 1 2.27 . . 2 . . . . . . . . . 4940 1 775 . 1 1 77 77 GLN C C 13 176.39 . . 1 . . . . . . . . . 4940 1 776 . 1 1 77 77 GLN CA C 13 58.10 . . 1 . . . . . . . . . 4940 1 777 . 1 1 77 77 GLN CB C 13 27.54 . . 1 . . . . . . . . . 4940 1 778 . 1 1 77 77 GLN CG C 13 33.10 . . 1 . . . . . . . . . 4940 1 779 . 1 1 77 77 GLN N N 15 115.55 . . 1 . . . . . . . . . 4940 1 780 . 1 1 78 78 LEU H H 1 7.62 . . 1 . . . . . . . . . 4940 1 781 . 1 1 78 78 LEU HA H 1 4.51 . . 1 . . . . . . . . . 4940 1 782 . 1 1 78 78 LEU HB2 H 1 1.54 . . 2 . . . . . . . . . 4940 1 783 . 1 1 78 78 LEU HB3 H 1 1.21 . . 2 . . . . . . . . . 4940 1 784 . 1 1 78 78 LEU HG H 1 1.30 . . 1 . . . . . . . . . 4940 1 785 . 1 1 78 78 LEU HD11 H 1 0.60 . . 2 . . . . . . . . . 4940 1 786 . 1 1 78 78 LEU HD12 H 1 0.60 . . 2 . . . . . . . . . 4940 1 787 . 1 1 78 78 LEU HD13 H 1 0.60 . . 2 . . . . . . . . . 4940 1 788 . 1 1 78 78 LEU HD21 H 1 0.44 . . 2 . . . . . . . . . 4940 1 789 . 1 1 78 78 LEU HD22 H 1 0.44 . . 2 . . . . . . . . . 4940 1 790 . 1 1 78 78 LEU HD23 H 1 0.44 . . 2 . . . . . . . . . 4940 1 791 . 1 1 78 78 LEU C C 13 176.76 . . 1 . . . . . . . . . 4940 1 792 . 1 1 78 78 LEU CA C 13 53.78 . . 1 . . . . . . . . . 4940 1 793 . 1 1 78 78 LEU CB C 13 43.83 . . 1 . . . . . . . . . 4940 1 794 . 1 1 78 78 LEU N N 15 119.10 . . 1 . . . . . . . . . 4940 1 795 . 1 1 79 79 GLN H H 1 7.30 . . 1 . . . . . . . . . 4940 1 796 . 1 1 79 79 GLN HA H 1 3.58 . . 1 . . . . . . . . . 4940 1 797 . 1 1 79 79 GLN HB2 H 1 2.08 . . 1 . . . . . . . . . 4940 1 798 . 1 1 79 79 GLN HB3 H 1 2.08 . . 1 . . . . . . . . . 4940 1 799 . 1 1 79 79 GLN HG2 H 1 2.46 . . 1 . . . . . . . . . 4940 1 800 . 1 1 79 79 GLN HG3 H 1 2.46 . . 1 . . . . . . . . . 4940 1 801 . 1 1 79 79 GLN C C 13 177.48 . . 1 . . . . . . . . . 4940 1 802 . 1 1 79 79 GLN CA C 13 60.43 . . 1 . . . . . . . . . 4940 1 803 . 1 1 79 79 GLN CB C 13 27.84 . . 1 . . . . . . . . . 4940 1 804 . 1 1 79 79 GLN N N 15 119.25 . . 1 . . . . . . . . . 4940 1 805 . 1 1 80 80 GLU H H 1 8.63 . . 1 . . . . . . . . . 4940 1 806 . 1 1 80 80 GLU HA H 1 4.01 . . 1 . . . . . . . . . 4940 1 807 . 1 1 80 80 GLU HB2 H 1 2.02 . . 1 . . . . . . . . . 4940 1 808 . 1 1 80 80 GLU HB3 H 1 2.02 . . 1 . . . . . . . . . 4940 1 809 . 1 1 80 80 GLU HG2 H 1 2.30 . . 2 . . . . . . . . . 4940 1 810 . 1 1 80 80 GLU HG3 H 1 2.16 . . 2 . . . . . . . . . 4940 1 811 . 1 1 80 80 GLU C C 13 179.79 . . 1 . . . . . . . . . 4940 1 812 . 1 1 80 80 GLU CA C 13 60.14 . . 1 . . . . . . . . . 4940 1 813 . 1 1 80 80 GLU CB C 13 28.60 . . 1 . . . . . . . . . 4940 1 814 . 1 1 80 80 GLU N N 15 119.25 . . 1 . . . . . . . . . 4940 1 815 . 1 1 81 81 ARG H H 1 8.55 . . 1 . . . . . . . . . 4940 1 816 . 1 1 81 81 ARG HA H 1 4.10 . . 1 . . . . . . . . . 4940 1 817 . 1 1 81 81 ARG HB2 H 1 2.05 . . 2 . . . . . . . . . 4940 1 818 . 1 1 81 81 ARG HB3 H 1 1.80 . . 2 . . . . . . . . . 4940 1 819 . 1 1 81 81 ARG C C 13 178.61 . . 1 . . . . . . . . . 4940 1 820 . 1 1 81 81 ARG CA C 13 59.10 . . 1 . . . . . . . . . 4940 1 821 . 1 1 81 81 ARG N N 15 121.00 . . 1 . . . . . . . . . 4940 1 822 . 1 1 82 82 ALA HA H 1 3.88 . . 1 . . . . . . . . . 4940 1 823 . 1 1 82 82 ALA HB1 H 1 1.27 . . 1 . . . . . . . . . 4940 1 824 . 1 1 82 82 ALA HB2 H 1 1.27 . . 1 . . . . . . . . . 4940 1 825 . 1 1 82 82 ALA HB3 H 1 1.27 . . 1 . . . . . . . . . 4940 1 826 . 1 1 82 82 ALA C C 13 179.32 . . 1 . . . . . . . . . 4940 1 827 . 1 1 82 82 ALA CA C 13 55.42 . . 1 . . . . . . . . . 4940 1 828 . 1 1 82 82 ALA CB C 13 18.99 . . 1 . . . . . . . . . 4940 1 829 . 1 1 83 83 GLN H H 1 8.41 . . 1 . . . . . . . . . 4940 1 830 . 1 1 83 83 GLN HA H 1 3.95 . . 1 . . . . . . . . . 4940 1 831 . 1 1 83 83 GLN HB2 H 1 2.21 . . 2 . . . . . . . . . 4940 1 832 . 1 1 83 83 GLN HB3 H 1 2.16 . . 2 . . . . . . . . . 4940 1 833 . 1 1 83 83 GLN HG2 H 1 2.55 . . 2 . . . . . . . . . 4940 1 834 . 1 1 83 83 GLN HG3 H 1 2.34 . . 2 . . . . . . . . . 4940 1 835 . 1 1 83 83 GLN C C 13 179.56 . . 1 . . . . . . . . . 4940 1 836 . 1 1 83 83 GLN CA C 13 59.72 . . 1 . . . . . . . . . 4940 1 837 . 1 1 83 83 GLN CB C 13 28.32 . . 1 . . . . . . . . . 4940 1 838 . 1 1 83 83 GLN N N 15 116.78 . . 1 . . . . . . . . . 4940 1 839 . 1 1 84 84 SER H H 1 7.83 . . 1 . . . . . . . . . 4940 1 840 . 1 1 84 84 SER HA H 1 4.27 . . 1 . . . . . . . . . 4940 1 841 . 1 1 84 84 SER HB2 H 1 4.05 . . 1 . . . . . . . . . 4940 1 842 . 1 1 84 84 SER HB3 H 1 4.05 . . 1 . . . . . . . . . 4940 1 843 . 1 1 84 84 SER C C 13 177.69 . . 1 . . . . . . . . . 4940 1 844 . 1 1 84 84 SER CA C 13 61.29 . . 1 . . . . . . . . . 4940 1 845 . 1 1 84 84 SER CB C 13 62.48 . . 1 . . . . . . . . . 4940 1 846 . 1 1 84 84 SER N N 15 115.42 . . 1 . . . . . . . . . 4940 1 847 . 1 1 85 85 VAL H H 1 8.38 . . 1 . . . . . . . . . 4940 1 848 . 1 1 85 85 VAL HA H 1 3.72 . . 1 . . . . . . . . . 4940 1 849 . 1 1 85 85 VAL HB H 1 2.11 . . 1 . . . . . . . . . 4940 1 850 . 1 1 85 85 VAL HG11 H 1 1.09 . . 2 . . . . . . . . . 4940 1 851 . 1 1 85 85 VAL HG12 H 1 1.09 . . 2 . . . . . . . . . 4940 1 852 . 1 1 85 85 VAL HG13 H 1 1.09 . . 2 . . . . . . . . . 4940 1 853 . 1 1 85 85 VAL HG21 H 1 0.97 . . 2 . . . . . . . . . 4940 1 854 . 1 1 85 85 VAL HG22 H 1 0.97 . . 2 . . . . . . . . . 4940 1 855 . 1 1 85 85 VAL HG23 H 1 0.97 . . 2 . . . . . . . . . 4940 1 856 . 1 1 85 85 VAL C C 13 178.49 . . 1 . . . . . . . . . 4940 1 857 . 1 1 85 85 VAL CA C 13 66.32 . . 1 . . . . . . . . . 4940 1 858 . 1 1 85 85 VAL CB C 13 31.50 . . 1 . . . . . . . . . 4940 1 859 . 1 1 85 85 VAL CG1 C 13 23.66 . . 2 . . . . . . . . . 4940 1 860 . 1 1 85 85 VAL CG2 C 13 23.04 . . 2 . . . . . . . . . 4940 1 861 . 1 1 85 85 VAL N N 15 122.11 . . 1 . . . . . . . . . 4940 1 862 . 1 1 86 86 MET H H 1 8.78 . . 1 . . . . . . . . . 4940 1 863 . 1 1 86 86 MET HA H 1 3.97 . . 1 . . . . . . . . . 4940 1 864 . 1 1 86 86 MET HB2 H 1 2.16 . . 2 . . . . . . . . . 4940 1 865 . 1 1 86 86 MET HB3 H 1 1.91 . . 2 . . . . . . . . . 4940 1 866 . 1 1 86 86 MET HG2 H 1 2.73 . . 2 . . . . . . . . . 4940 1 867 . 1 1 86 86 MET HG3 H 1 2.48 . . 2 . . . . . . . . . 4940 1 868 . 1 1 86 86 MET C C 13 178.07 . . 1 . . . . . . . . . 4940 1 869 . 1 1 86 86 MET CA C 13 58.77 . . 1 . . . . . . . . . 4940 1 870 . 1 1 86 86 MET CB C 13 31.14 . . 1 . . . . . . . . . 4940 1 871 . 1 1 86 86 MET N N 15 117.63 . . 1 . . . . . . . . . 4940 1 872 . 1 1 87 87 GLY H H 1 7.87 . . 1 . . . . . . . . . 4940 1 873 . 1 1 87 87 GLY HA2 H 1 3.96 . . 2 . . . . . . . . . 4940 1 874 . 1 1 87 87 GLY HA3 H 1 3.89 . . 2 . . . . . . . . . 4940 1 875 . 1 1 87 87 GLY C C 13 175.13 . . 1 . . . . . . . . . 4940 1 876 . 1 1 87 87 GLY CA C 13 46.56 . . 1 . . . . . . . . . 4940 1 877 . 1 1 87 87 GLY N N 15 104.54 . . 1 . . . . . . . . . 4940 1 878 . 1 1 88 88 LYS H H 1 7.22 . . 1 . . . . . . . . . 4940 1 879 . 1 1 88 88 LYS HA H 1 4.39 . . 1 . . . . . . . . . 4940 1 880 . 1 1 88 88 LYS HB2 H 1 1.95 . . 1 . . . . . . . . . 4940 1 881 . 1 1 88 88 LYS HB3 H 1 1.95 . . 1 . . . . . . . . . 4940 1 882 . 1 1 88 88 LYS HG2 H 1 1.50 . . 2 . . . . . . . . . 4940 1 883 . 1 1 88 88 LYS HG3 H 1 1.34 . . 2 . . . . . . . . . 4940 1 884 . 1 1 88 88 LYS HD2 H 1 1.67 . . 1 . . . . . . . . . 4940 1 885 . 1 1 88 88 LYS HD3 H 1 1.67 . . 1 . . . . . . . . . 4940 1 886 . 1 1 88 88 LYS HE2 H 1 2.97 . . 1 . . . . . . . . . 4940 1 887 . 1 1 88 88 LYS HE3 H 1 2.97 . . 1 . . . . . . . . . 4940 1 888 . 1 1 88 88 LYS C C 13 178.68 . . 1 . . . . . . . . . 4940 1 889 . 1 1 88 88 LYS CA C 13 57.40 . . 1 . . . . . . . . . 4940 1 890 . 1 1 88 88 LYS CB C 13 33.63 . . 1 . . . . . . . . . 4940 1 891 . 1 1 88 88 LYS N N 15 117.52 . . 1 . . . . . . . . . 4940 1 892 . 1 1 89 89 CYS H H 1 7.89 . . 1 . . . . . . . . . 4940 1 893 . 1 1 89 89 CYS HA H 1 4.87 . . 1 . . . . . . . . . 4940 1 894 . 1 1 89 89 CYS HB2 H 1 3.29 . . 2 . . . . . . . . . 4940 1 895 . 1 1 89 89 CYS HB3 H 1 2.37 . . 2 . . . . . . . . . 4940 1 896 . 1 1 89 89 CYS C C 13 172.93 . . 1 . . . . . . . . . 4940 1 897 . 1 1 89 89 CYS CA C 13 53.61 . . 1 . . . . . . . . . 4940 1 898 . 1 1 89 89 CYS CB C 13 40.52 . . 1 . . . . . . . . . 4940 1 899 . 1 1 89 89 CYS N N 15 114.13 . . 1 . . . . . . . . . 4940 1 900 . 1 1 90 90 LEU H H 1 7.63 . . 1 . . . . . . . . . 4940 1 901 . 1 1 90 90 LEU HA H 1 4.60 . . 1 . . . . . . . . . 4940 1 902 . 1 1 90 90 LEU HB2 H 1 1.91 . . 2 . . . . . . . . . 4940 1 903 . 1 1 90 90 LEU HB3 H 1 1.73 . . 2 . . . . . . . . . 4940 1 904 . 1 1 90 90 LEU HG H 1 1.37 . . 1 . . . . . . . . . 4940 1 905 . 1 1 90 90 LEU HD11 H 1 0.99 . . 2 . . . . . . . . . 4940 1 906 . 1 1 90 90 LEU HD12 H 1 0.99 . . 2 . . . . . . . . . 4940 1 907 . 1 1 90 90 LEU HD13 H 1 0.99 . . 2 . . . . . . . . . 4940 1 908 . 1 1 90 90 LEU HD21 H 1 0.88 . . 2 . . . . . . . . . 4940 1 909 . 1 1 90 90 LEU HD22 H 1 0.88 . . 2 . . . . . . . . . 4940 1 910 . 1 1 90 90 LEU HD23 H 1 0.88 . . 2 . . . . . . . . . 4940 1 911 . 1 1 90 90 LEU C C 13 175.69 . . 1 . . . . . . . . . 4940 1 912 . 1 1 90 90 LEU CA C 13 52.04 . . 1 . . . . . . . . . 4940 1 913 . 1 1 90 90 LEU N N 15 118.45 . . 1 . . . . . . . . . 4940 1 914 . 1 1 91 91 PRO HA H 1 4.67 . . 1 . . . . . . . . . 4940 1 915 . 1 1 91 91 PRO HB2 H 1 2.53 . . 2 . . . . . . . . . 4940 1 916 . 1 1 91 91 PRO HB3 H 1 2.28 . . 2 . . . . . . . . . 4940 1 917 . 1 1 91 91 PRO HG2 H 1 1.95 . . 2 . . . . . . . . . 4940 1 918 . 1 1 91 91 PRO HG3 H 1 1.85 . . 2 . . . . . . . . . 4940 1 919 . 1 1 91 91 PRO HD2 H 1 3.62 . . 2 . . . . . . . . . 4940 1 920 . 1 1 91 91 PRO HD3 H 1 3.49 . . 2 . . . . . . . . . 4940 1 921 . 1 1 91 91 PRO C C 13 176.63 . . 1 . . . . . . . . . 4940 1 922 . 1 1 91 91 PRO CA C 13 62.02 . . 1 . . . . . . . . . 4940 1 923 . 1 1 91 91 PRO CB C 13 34.08 . . 1 . . . . . . . . . 4940 1 924 . 1 1 91 91 PRO CG C 13 24.79 . . 1 . . . . . . . . . 4940 1 925 . 1 1 91 91 PRO CD C 13 50.47 . . 1 . . . . . . . . . 4940 1 926 . 1 1 92 92 THR H H 1 8.62 . . 1 . . . . . . . . . 4940 1 927 . 1 1 92 92 THR HA H 1 4.70 . . 1 . . . . . . . . . 4940 1 928 . 1 1 92 92 THR HB H 1 4.24 . . 1 . . . . . . . . . 4940 1 929 . 1 1 92 92 THR HG21 H 1 1.46 . . 1 . . . . . . . . . 4940 1 930 . 1 1 92 92 THR HG22 H 1 1.46 . . 1 . . . . . . . . . 4940 1 931 . 1 1 92 92 THR HG23 H 1 1.46 . . 1 . . . . . . . . . 4940 1 932 . 1 1 92 92 THR C C 13 174.90 . . 1 . . . . . . . . . 4940 1 933 . 1 1 92 92 THR CA C 13 60.76 . . 1 . . . . . . . . . 4940 1 934 . 1 1 92 92 THR CB C 13 71.17 . . 1 . . . . . . . . . 4940 1 935 . 1 1 92 92 THR CG2 C 13 23.16 . . 1 . . . . . . . . . 4940 1 936 . 1 1 92 92 THR N N 15 111.42 . . 1 . . . . . . . . . 4940 1 937 . 1 1 93 93 SER H H 1 9.22 . . 1 . . . . . . . . . 4940 1 938 . 1 1 93 93 SER HA H 1 4.73 . . 1 . . . . . . . . . 4940 1 939 . 1 1 93 93 SER HB2 H 1 3.80 . . 1 . . . . . . . . . 4940 1 940 . 1 1 93 93 SER HB3 H 1 3.80 . . 1 . . . . . . . . . 4940 1 941 . 1 1 93 93 SER C C 13 172.76 . . 1 . . . . . . . . . 4940 1 942 . 1 1 93 93 SER CA C 13 57.27 . . 1 . . . . . . . . . 4940 1 943 . 1 1 93 93 SER CB C 13 65.46 . . 1 . . . . . . . . . 4940 1 944 . 1 1 93 93 SER N N 15 114.29 . . 1 . . . . . . . . . 4940 1 945 . 1 1 94 94 GLY H H 1 8.47 . . 1 . . . . . . . . . 4940 1 946 . 1 1 94 94 GLY HA2 H 1 4.21 . . 2 . . . . . . . . . 4940 1 947 . 1 1 94 94 GLY HA3 H 1 3.95 . . 2 . . . . . . . . . 4940 1 948 . 1 1 94 94 GLY C C 13 173.07 . . 1 . . . . . . . . . 4940 1 949 . 1 1 94 94 GLY CA C 13 44.94 . . 1 . . . . . . . . . 4940 1 950 . 1 1 94 94 GLY N N 15 109.56 . . 1 . . . . . . . . . 4940 1 951 . 1 1 95 95 SER H H 1 9.00 . . 1 . . . . . . . . . 4940 1 952 . 1 1 95 95 SER HA H 1 4.20 . . 1 . . . . . . . . . 4940 1 953 . 1 1 95 95 SER HB2 H 1 3.99 . . 2 . . . . . . . . . 4940 1 954 . 1 1 95 95 SER HB3 H 1 3.74 . . 2 . . . . . . . . . 4940 1 955 . 1 1 95 95 SER C C 13 173.91 . . 1 . . . . . . . . . 4940 1 956 . 1 1 95 95 SER CA C 13 60.14 . . 1 . . . . . . . . . 4940 1 957 . 1 1 95 95 SER CB C 13 63.73 . . 1 . . . . . . . . . 4940 1 958 . 1 1 95 95 SER N N 15 113.15 . . 1 . . . . . . . . . 4940 1 959 . 1 1 96 96 ASP H H 1 7.72 . . 1 . . . . . . . . . 4940 1 960 . 1 1 96 96 ASP HA H 1 4.61 . . 1 . . . . . . . . . 4940 1 961 . 1 1 96 96 ASP HB2 H 1 3.01 . . 2 . . . . . . . . . 4940 1 962 . 1 1 96 96 ASP HB3 H 1 2.88 . . 2 . . . . . . . . . 4940 1 963 . 1 1 96 96 ASP C C 13 175.67 . . 1 . . . . . . . . . 4940 1 964 . 1 1 96 96 ASP CA C 13 52.95 . . 1 . . . . . . . . . 4940 1 965 . 1 1 96 96 ASP CB C 13 41.61 . . 1 . . . . . . . . . 4940 1 966 . 1 1 96 96 ASP N N 15 115.53 . . 1 . . . . . . . . . 4940 1 967 . 1 1 97 97 ASN H H 1 8.92 . . 1 . . . . . . . . . 4940 1 968 . 1 1 97 97 ASN HA H 1 3.96 . . 1 . . . . . . . . . 4940 1 969 . 1 1 97 97 ASN HB2 H 1 2.13 . . 2 . . . . . . . . . 4940 1 970 . 1 1 97 97 ASN HB3 H 1 1.29 . . 2 . . . . . . . . . 4940 1 971 . 1 1 97 97 ASN C C 13 177.14 . . 1 . . . . . . . . . 4940 1 972 . 1 1 97 97 ASN CA C 13 56.17 . . 1 . . . . . . . . . 4940 1 973 . 1 1 97 97 ASN CB C 13 36.29 . . 1 . . . . . . . . . 4940 1 974 . 1 1 97 97 ASN N N 15 117.75 . . 1 . . . . . . . . . 4940 1 975 . 1 1 98 98 CYS H H 1 7.80 . . 1 . . . . . . . . . 4940 1 976 . 1 1 98 98 CYS HA H 1 4.10 . . 1 . . . . . . . . . 4940 1 977 . 1 1 98 98 CYS HB2 H 1 3.51 . . 2 . . . . . . . . . 4940 1 978 . 1 1 98 98 CYS HB3 H 1 3.29 . . 2 . . . . . . . . . 4940 1 979 . 1 1 98 98 CYS C C 13 176.11 . . 1 . . . . . . . . . 4940 1 980 . 1 1 98 98 CYS CA C 13 59.79 . . 1 . . . . . . . . . 4940 1 981 . 1 1 98 98 CYS CB C 13 41.41 . . 1 . . . . . . . . . 4940 1 982 . 1 1 98 98 CYS N N 15 115.48 . . 1 . . . . . . . . . 4940 1 983 . 1 1 99 99 ASN H H 1 8.78 . . 1 . . . . . . . . . 4940 1 984 . 1 1 99 99 ASN HA H 1 4.48 . . 1 . . . . . . . . . 4940 1 985 . 1 1 99 99 ASN HB2 H 1 2.98 . . 2 . . . . . . . . . 4940 1 986 . 1 1 99 99 ASN HB3 H 1 2.35 . . 2 . . . . . . . . . 4940 1 987 . 1 1 99 99 ASN C C 13 177.33 . . 1 . . . . . . . . . 4940 1 988 . 1 1 99 99 ASN CA C 13 57.06 . . 1 . . . . . . . . . 4940 1 989 . 1 1 99 99 ASN CB C 13 41.53 . . 1 . . . . . . . . . 4940 1 990 . 1 1 99 99 ASN N N 15 120.71 . . 1 . . . . . . . . . 4940 1 991 . 1 1 100 100 LYS H H 1 8.49 . . 1 . . . . . . . . . 4940 1 992 . 1 1 100 100 LYS HA H 1 4.30 . . 1 . . . . . . . . . 4940 1 993 . 1 1 100 100 LYS HB2 H 1 1.93 . . 2 . . . . . . . . . 4940 1 994 . 1 1 100 100 LYS HB3 H 1 1.57 . . 2 . . . . . . . . . 4940 1 995 . 1 1 100 100 LYS C C 13 179.69 . . 1 . . . . . . . . . 4940 1 996 . 1 1 100 100 LYS CA C 13 59.95 . . 1 . . . . . . . . . 4940 1 997 . 1 1 100 100 LYS CB C 13 33.44 . . 1 . . . . . . . . . 4940 1 998 . 1 1 100 100 LYS N N 15 117.86 . . 1 . . . . . . . . . 4940 1 999 . 1 1 101 101 ILE H H 1 7.29 . . 1 . . . . . . . . . 4940 1 1000 . 1 1 101 101 ILE HA H 1 4.07 . . 1 . . . . . . . . . 4940 1 1001 . 1 1 101 101 ILE HB H 1 2.54 . . 1 . . . . . . . . . 4940 1 1002 . 1 1 101 101 ILE HG12 H 1 1.34 . . 1 . . . . . . . . . 4940 1 1003 . 1 1 101 101 ILE HG13 H 1 1.34 . . 1 . . . . . . . . . 4940 1 1004 . 1 1 101 101 ILE HG21 H 1 1.06 . . 1 . . . . . . . . . 4940 1 1005 . 1 1 101 101 ILE HG22 H 1 1.06 . . 1 . . . . . . . . . 4940 1 1006 . 1 1 101 101 ILE HG23 H 1 1.06 . . 1 . . . . . . . . . 4940 1 1007 . 1 1 101 101 ILE HD11 H 1 0.78 . . 1 . . . . . . . . . 4940 1 1008 . 1 1 101 101 ILE HD12 H 1 0.78 . . 1 . . . . . . . . . 4940 1 1009 . 1 1 101 101 ILE HD13 H 1 0.78 . . 1 . . . . . . . . . 4940 1 1010 . 1 1 101 101 ILE C C 13 177.51 . . 1 . . . . . . . . . 4940 1 1011 . 1 1 101 101 ILE CA C 13 61.07 . . 1 . . . . . . . . . 4940 1 1012 . 1 1 101 101 ILE CB C 13 33.99 . . 1 . . . . . . . . . 4940 1 1013 . 1 1 101 101 ILE CG2 C 13 19.30 . . 1 . . . . . . . . . 4940 1 1014 . 1 1 101 101 ILE CD1 C 13 8.88 . . 1 . . . . . . . . . 4940 1 1015 . 1 1 101 101 ILE N N 15 118.21 . . 1 . . . . . . . . . 4940 1 1016 . 1 1 102 102 TYR H H 1 8.60 . . 1 . . . . . . . . . 4940 1 1017 . 1 1 102 102 TYR HA H 1 3.95 . . 1 . . . . . . . . . 4940 1 1018 . 1 1 102 102 TYR HB2 H 1 3.34 . . 2 . . . . . . . . . 4940 1 1019 . 1 1 102 102 TYR HB3 H 1 3.27 . . 2 . . . . . . . . . 4940 1 1020 . 1 1 102 102 TYR HD1 H 1 6.96 . . 1 . . . . . . . . . 4940 1 1021 . 1 1 102 102 TYR HD2 H 1 6.96 . . 1 . . . . . . . . . 4940 1 1022 . 1 1 102 102 TYR HE1 H 1 6.70 . . 1 . . . . . . . . . 4940 1 1023 . 1 1 102 102 TYR HE2 H 1 6.70 . . 1 . . . . . . . . . 4940 1 1024 . 1 1 102 102 TYR C C 13 175.89 . . 1 . . . . . . . . . 4940 1 1025 . 1 1 102 102 TYR CA C 13 62.39 . . 1 . . . . . . . . . 4940 1 1026 . 1 1 102 102 TYR CB C 13 37.43 . . 1 . . . . . . . . . 4940 1 1027 . 1 1 102 102 TYR N N 15 122.77 . . 1 . . . . . . . . . 4940 1 1028 . 1 1 103 103 ASN H H 1 8.48 . . 1 . . . . . . . . . 4940 1 1029 . 1 1 103 103 ASN HA H 1 4.03 . . 1 . . . . . . . . . 4940 1 1030 . 1 1 103 103 ASN HB2 H 1 3.14 . . 2 . . . . . . . . . 4940 1 1031 . 1 1 103 103 ASN HB3 H 1 2.75 . . 2 . . . . . . . . . 4940 1 1032 . 1 1 103 103 ASN C C 13 178.51 . . 1 . . . . . . . . . 4940 1 1033 . 1 1 103 103 ASN CA C 13 55.89 . . 1 . . . . . . . . . 4940 1 1034 . 1 1 103 103 ASN CB C 13 37.82 . . 1 . . . . . . . . . 4940 1 1035 . 1 1 103 103 ASN N N 15 115.52 . . 1 . . . . . . . . . 4940 1 1036 . 1 1 104 104 LEU H H 1 8.01 . . 1 . . . . . . . . . 4940 1 1037 . 1 1 104 104 LEU HA H 1 4.58 . . 1 . . . . . . . . . 4940 1 1038 . 1 1 104 104 LEU HB2 H 1 2.11 . . 2 . . . . . . . . . 4940 1 1039 . 1 1 104 104 LEU HB3 H 1 1.64 . . 2 . . . . . . . . . 4940 1 1040 . 1 1 104 104 LEU HG H 1 1.50 . . 1 . . . . . . . . . 4940 1 1041 . 1 1 104 104 LEU HD11 H 1 0.88 . . 2 . . . . . . . . . 4940 1 1042 . 1 1 104 104 LEU HD12 H 1 0.88 . . 2 . . . . . . . . . 4940 1 1043 . 1 1 104 104 LEU HD13 H 1 0.88 . . 2 . . . . . . . . . 4940 1 1044 . 1 1 104 104 LEU HD21 H 1 0.82 . . 2 . . . . . . . . . 4940 1 1045 . 1 1 104 104 LEU HD22 H 1 0.82 . . 2 . . . . . . . . . 4940 1 1046 . 1 1 104 104 LEU HD23 H 1 0.82 . . 2 . . . . . . . . . 4940 1 1047 . 1 1 104 104 LEU C C 13 177.30 . . 1 . . . . . . . . . 4940 1 1048 . 1 1 104 104 LEU CA C 13 57.61 . . 1 . . . . . . . . . 4940 1 1049 . 1 1 104 104 LEU CB C 13 42.11 . . 1 . . . . . . . . . 4940 1 1050 . 1 1 104 104 LEU N N 15 123.14 . . 1 . . . . . . . . . 4940 1 1051 . 1 1 105 105 ALA H H 1 9.13 . . 1 . . . . . . . . . 4940 1 1052 . 1 1 105 105 ALA HA H 1 3.76 . . 1 . . . . . . . . . 4940 1 1053 . 1 1 105 105 ALA HB1 H 1 1.46 . . 1 . . . . . . . . . 4940 1 1054 . 1 1 105 105 ALA HB2 H 1 1.46 . . 1 . . . . . . . . . 4940 1 1055 . 1 1 105 105 ALA HB3 H 1 1.46 . . 1 . . . . . . . . . 4940 1 1056 . 1 1 105 105 ALA C C 13 178.02 . . 1 . . . . . . . . . 4940 1 1057 . 1 1 105 105 ALA CA C 13 55.18 . . 1 . . . . . . . . . 4940 1 1058 . 1 1 105 105 ALA CB C 13 18.52 . . 1 . . . . . . . . . 4940 1 1059 . 1 1 105 105 ALA N N 15 125.97 . . 1 . . . . . . . . . 4940 1 1060 . 1 1 106 106 LYS H H 1 8.20 . . 1 . . . . . . . . . 4940 1 1061 . 1 1 106 106 LYS HA H 1 3.51 . . 1 . . . . . . . . . 4940 1 1062 . 1 1 106 106 LYS HB2 H 1 1.44 . . 2 . . . . . . . . . 4940 1 1063 . 1 1 106 106 LYS HB3 H 1 1.24 . . 2 . . . . . . . . . 4940 1 1064 . 1 1 106 106 LYS HG2 H 1 1.00 . . 1 . . . . . . . . . 4940 1 1065 . 1 1 106 106 LYS HG3 H 1 1.00 . . 1 . . . . . . . . . 4940 1 1066 . 1 1 106 106 LYS HD2 H 1 1.42 . . 1 . . . . . . . . . 4940 1 1067 . 1 1 106 106 LYS HD3 H 1 1.42 . . 1 . . . . . . . . . 4940 1 1068 . 1 1 106 106 LYS HE2 H 1 2.92 . . 2 . . . . . . . . . 4940 1 1069 . 1 1 106 106 LYS HE3 H 1 2.85 . . 2 . . . . . . . . . 4940 1 1070 . 1 1 106 106 LYS C C 13 178.10 . . 1 . . . . . . . . . 4940 1 1071 . 1 1 106 106 LYS CA C 13 58.51 . . 1 . . . . . . . . . 4940 1 1072 . 1 1 106 106 LYS CB C 13 31.53 . . 1 . . . . . . . . . 4940 1 1073 . 1 1 106 106 LYS CE C 13 41.46 . . 1 . . . . . . . . . 4940 1 1074 . 1 1 106 106 LYS N N 15 116.05 . . 1 . . . . . . . . . 4940 1 1075 . 1 1 107 107 CYS H H 1 7.46 . . 1 . . . . . . . . . 4940 1 1076 . 1 1 107 107 CYS HA H 1 4.14 . . 1 . . . . . . . . . 4940 1 1077 . 1 1 107 107 CYS HB2 H 1 3.34 . . 2 . . . . . . . . . 4940 1 1078 . 1 1 107 107 CYS HB3 H 1 3.28 . . 2 . . . . . . . . . 4940 1 1079 . 1 1 107 107 CYS C C 13 177.86 . . 1 . . . . . . . . . 4940 1 1080 . 1 1 107 107 CYS CA C 13 60.04 . . 1 . . . . . . . . . 4940 1 1081 . 1 1 107 107 CYS CB C 13 40.10 . . 1 . . . . . . . . . 4940 1 1082 . 1 1 107 107 CYS N N 15 118.45 . . 1 . . . . . . . . . 4940 1 1083 . 1 1 108 108 VAL H H 1 9.03 . . 1 . . . . . . . . . 4940 1 1084 . 1 1 108 108 VAL HA H 1 3.39 . . 1 . . . . . . . . . 4940 1 1085 . 1 1 108 108 VAL HB H 1 2.17 . . 1 . . . . . . . . . 4940 1 1086 . 1 1 108 108 VAL HG11 H 1 1.01 . . 2 . . . . . . . . . 4940 1 1087 . 1 1 108 108 VAL HG12 H 1 1.01 . . 2 . . . . . . . . . 4940 1 1088 . 1 1 108 108 VAL HG13 H 1 1.01 . . 2 . . . . . . . . . 4940 1 1089 . 1 1 108 108 VAL HG21 H 1 1.14 . . 2 . . . . . . . . . 4940 1 1090 . 1 1 108 108 VAL HG22 H 1 1.14 . . 2 . . . . . . . . . 4940 1 1091 . 1 1 108 108 VAL HG23 H 1 1.14 . . 2 . . . . . . . . . 4940 1 1092 . 1 1 108 108 VAL C C 13 176.99 . . 1 . . . . . . . . . 4940 1 1093 . 1 1 108 108 VAL CA C 13 66.96 . . 1 . . . . . . . . . 4940 1 1094 . 1 1 108 108 VAL CB C 13 32.01 . . 1 . . . . . . . . . 4940 1 1095 . 1 1 108 108 VAL CG1 C 13 23.46 . . 2 . . . . . . . . . 4940 1 1096 . 1 1 108 108 VAL CG2 C 13 22.20 . . 2 . . . . . . . . . 4940 1 1097 . 1 1 108 108 VAL N N 15 122.93 . . 1 . . . . . . . . . 4940 1 1098 . 1 1 110 110 GLU HA H 1 3.85 . . 1 . . . . . . . . . 4940 1 1099 . 1 1 110 110 GLU HB2 H 1 2.06 . . 2 . . . . . . . . . 4940 1 1100 . 1 1 110 110 GLU HB3 H 1 1.95 . . 2 . . . . . . . . . 4940 1 1101 . 1 1 110 110 GLU HG2 H 1 2.39 . . 2 . . . . . . . . . 4940 1 1102 . 1 1 110 110 GLU HG3 H 1 2.27 . . 2 . . . . . . . . . 4940 1 1103 . 1 1 110 110 GLU C C 13 179.12 . . 1 . . . . . . . . . 4940 1 1104 . 1 1 110 110 GLU CA C 13 58.22 . . 1 . . . . . . . . . 4940 1 1105 . 1 1 110 110 GLU CB C 13 28.82 . . 1 . . . . . . . . . 4940 1 1106 . 1 1 110 110 GLU CG C 13 36.00 . . 1 . . . . . . . . . 4940 1 1107 . 1 1 111 111 SER H H 1 7.55 . . 1 . . . . . . . . . 4940 1 1108 . 1 1 111 111 SER HA H 1 4.43 . . 1 . . . . . . . . . 4940 1 1109 . 1 1 111 111 SER HB2 H 1 3.92 . . 1 . . . . . . . . . 4940 1 1110 . 1 1 111 111 SER HB3 H 1 3.92 . . 1 . . . . . . . . . 4940 1 1111 . 1 1 111 111 SER C C 13 174.40 . . 1 . . . . . . . . . 4940 1 1112 . 1 1 111 111 SER CA C 13 60.56 . . 1 . . . . . . . . . 4940 1 1113 . 1 1 111 111 SER CB C 13 64.61 . . 1 . . . . . . . . . 4940 1 1114 . 1 1 111 111 SER N N 15 112.83 . . 1 . . . . . . . . . 4940 1 1115 . 1 1 112 112 ALA H H 1 8.46 . . 1 . . . . . . . . . 4940 1 1116 . 1 1 112 112 ALA HA H 1 4.81 . . 1 . . . . . . . . . 4940 1 1117 . 1 1 112 112 ALA HB1 H 1 1.27 . . 1 . . . . . . . . . 4940 1 1118 . 1 1 112 112 ALA HB2 H 1 1.27 . . 1 . . . . . . . . . 4940 1 1119 . 1 1 112 112 ALA HB3 H 1 1.27 . . 1 . . . . . . . . . 4940 1 1120 . 1 1 112 112 ALA C C 13 173.36 . . 1 . . . . . . . . . 4940 1 1121 . 1 1 112 112 ALA CA C 13 50.56 . . 1 . . . . . . . . . 4940 1 1122 . 1 1 112 112 ALA CB C 13 19.13 . . 1 . . . . . . . . . 4940 1 1123 . 1 1 112 112 ALA N N 15 124.30 . . 1 . . . . . . . . . 4940 1 1124 . 1 1 113 113 PRO HA H 1 4.55 . . 1 . . . . . . . . . 4940 1 1125 . 1 1 113 113 PRO HB2 H 1 2.53 . . 2 . . . . . . . . . 4940 1 1126 . 1 1 113 113 PRO HB3 H 1 2.16 . . 2 . . . . . . . . . 4940 1 1127 . 1 1 113 113 PRO HG2 H 1 2.04 . . 1 . . . . . . . . . 4940 1 1128 . 1 1 113 113 PRO HG3 H 1 2.04 . . 1 . . . . . . . . . 4940 1 1129 . 1 1 113 113 PRO C C 13 178.51 . . 1 . . . . . . . . . 4940 1 1130 . 1 1 113 113 PRO CA C 13 65.80 . . 1 . . . . . . . . . 4940 1 1131 . 1 1 114 114 ASP H H 1 9.60 . . 1 . . . . . . . . . 4940 1 1132 . 1 1 114 114 ASP HA H 1 4.55 . . 1 . . . . . . . . . 4940 1 1133 . 1 1 114 114 ASP HB2 H 1 2.77 . . 1 . . . . . . . . . 4940 1 1134 . 1 1 114 114 ASP HB3 H 1 2.77 . . 1 . . . . . . . . . 4940 1 1135 . 1 1 114 114 ASP C C 13 176.65 . . 1 . . . . . . . . . 4940 1 1136 . 1 1 114 114 ASP CA C 13 54.78 . . 1 . . . . . . . . . 4940 1 1137 . 1 1 114 114 ASP CB C 13 39.40 . . 1 . . . . . . . . . 4940 1 1138 . 1 1 114 114 ASP N N 15 114.08 . . 1 . . . . . . . . . 4940 1 1139 . 1 1 117 117 PHE HA H 1 4.65 . . 1 . . . . . . . . . 4940 1 1140 . 1 1 117 117 PHE HB2 H 1 2.86 . . 1 . . . . . . . . . 4940 1 1141 . 1 1 117 117 PHE HB3 H 1 2.86 . . 1 . . . . . . . . . 4940 1 1142 . 1 1 117 117 PHE C C 13 179.22 . . 1 . . . . . . . . . 4940 1 1143 . 1 1 117 117 PHE CA C 13 57.50 . . 1 . . . . . . . . . 4940 1 1144 . 1 1 117 117 PHE CB C 13 41.78 . . 1 . . . . . . . . . 4940 1 1145 . 1 1 118 118 VAL H H 1 7.98 . . 1 . . . . . . . . . 4940 1 1146 . 1 1 118 118 VAL HA H 1 4.10 . . 1 . . . . . . . . . 4940 1 1147 . 1 1 118 118 VAL HB H 1 2.44 . . 1 . . . . . . . . . 4940 1 1148 . 1 1 118 118 VAL HG11 H 1 1.41 . . 2 . . . . . . . . . 4940 1 1149 . 1 1 118 118 VAL HG12 H 1 1.41 . . 2 . . . . . . . . . 4940 1 1150 . 1 1 118 118 VAL HG13 H 1 1.41 . . 2 . . . . . . . . . 4940 1 1151 . 1 1 118 118 VAL HG21 H 1 1.36 . . 2 . . . . . . . . . 4940 1 1152 . 1 1 118 118 VAL HG22 H 1 1.36 . . 2 . . . . . . . . . 4940 1 1153 . 1 1 118 118 VAL HG23 H 1 1.36 . . 2 . . . . . . . . . 4940 1 1154 . 1 1 118 118 VAL C C 13 181.04 . . 1 . . . . . . . . . 4940 1 1155 . 1 1 118 118 VAL CA C 13 65.65 . . 1 . . . . . . . . . 4940 1 1156 . 1 1 118 118 VAL CB C 13 31.78 . . 1 . . . . . . . . . 4940 1 1157 . 1 1 118 118 VAL CG1 C 13 23.80 . . 2 . . . . . . . . . 4940 1 1158 . 1 1 118 118 VAL CG2 C 13 23.33 . . 2 . . . . . . . . . 4940 1 1159 . 1 1 118 118 VAL N N 15 118.36 . . 1 . . . . . . . . . 4940 1 1160 . 1 1 119 119 ILE HA H 1 4.05 . . 1 . . . . . . . . . 4940 1 1161 . 1 1 119 119 ILE HB H 1 1.53 . . 1 . . . . . . . . . 4940 1 1162 . 1 1 119 119 ILE HG12 H 1 1.44 . . 1 . . . . . . . . . 4940 1 1163 . 1 1 119 119 ILE HG13 H 1 0.90 . . 1 . . . . . . . . . 4940 1 1164 . 1 1 119 119 ILE HG21 H 1 0.86 . . 1 . . . . . . . . . 4940 1 1165 . 1 1 119 119 ILE HG22 H 1 0.86 . . 1 . . . . . . . . . 4940 1 1166 . 1 1 119 119 ILE HG23 H 1 0.86 . . 1 . . . . . . . . . 4940 1 1167 . 1 1 119 119 ILE HD11 H 1 0.42 . . 1 . . . . . . . . . 4940 1 1168 . 1 1 119 119 ILE HD12 H 1 0.42 . . 1 . . . . . . . . . 4940 1 1169 . 1 1 119 119 ILE HD13 H 1 0.42 . . 1 . . . . . . . . . 4940 1 1170 . 1 1 119 119 ILE C C 13 178.70 . . 1 . . . . . . . . . 4940 1 1171 . 1 1 119 119 ILE CA C 13 62.40 . . 1 . . . . . . . . . 4940 1 1172 . 1 1 119 119 ILE CB C 13 40.82 . . 1 . . . . . . . . . 4940 1 1173 . 1 1 119 119 ILE CG1 C 13 27.28 . . 1 . . . . . . . . . 4940 1 1174 . 1 1 119 119 ILE CG2 C 13 18.40 . . 1 . . . . . . . . . 4940 1 1175 . 1 1 119 119 ILE CD1 C 13 14.22 . . 1 . . . . . . . . . 4940 1 stop_ save_