data_4942 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4942 _Entry.Title ; 1H, 15N and 13C Resonance Assignments and Secondary Structure of the Liver Ribonuclease from Bullfrog Rana catesbeiana ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-01-18 _Entry.Accession_date 2001-01-18 _Entry.Last_release_date 2001-01-18 _Entry.Original_release_date 2001-01-18 _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 Ning-Yuan Su . . . . 4942 2 You-Di Liao . . . . 4942 3 Chi-Fon Chang . . . . 4942 4 Iren Wanga . . . . 4942 5 Chinpan Chen . . . . 4942 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4942 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 491 4942 '15N chemical shifts' 116 4942 '1H chemical shifts' 774 4942 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-04-03 . original BMRB . 4942 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4942 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21386226 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N and 13C Resonance Assignments and Secondary Structure of the Liver Ribonuclease from Bullfrog Rana catesbeiana ; _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 189 _Citation.Page_last 190 _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 Ning-Yuan Su . . . . 4942 1 2 You-Di Liao . . . . 4942 1 3 Chi-Fon Chang . . . . 4942 1 4 Iren Wanga . . . . 4942 1 5 Chinpan Chen . . . . 4942 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID bullfrog 4942 1 cytotoxicity 4942 1 lectin 4942 1 liver 4942 1 ribonuclease 4942 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_rRC-RNase_L1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_rRC-RNase_L1 _Assembly.Entry_ID 4942 _Assembly.ID 1 _Assembly.Name 'Recombinant RC-RNase L1' _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 4942 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 'rRC-RNase L1' 1 $rRC-RNase_L1 . . . native . . . . . 4942 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 73 73 SG . . . . . . . . . . . . 4942 1 2 disulfide single . 1 . 1 CYS 35 35 SG . 1 . 1 CYS 83 83 SG . . . . . . . . . . . . 4942 1 3 disulfide single . 1 . 1 CYS 53 53 SG . 1 . 1 CYS 98 98 SG . . . . . . . . . . . . 4942 1 4 disulfide single . 1 . 1 CYS 95 95 SG . 1 . 1 CYS 112 112 SG . . . . . . . . . . . . 4942 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Recombinant RC-RNase L1' system 4942 1 'rRC-RNase L1' abbreviation 4942 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID antitumor 4942 1 'cytotoxic protein' 4942 1 ribonuclease 4942 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rRC-RNase_L1 _Entity.Sf_category entity _Entity.Sf_framecode rRC-RNase_L1 _Entity.Entry_ID 4942 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'rRC-RNase L1[M(-1),Q1]' _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 ; MQNWAKFKEKHITSTSSIDC NTIMDKAIYIVGGKCKERNT FIISSEDNVKAICSGVSPDR KELSTTSFKLNTCIRDSITP RPCPYHPSPDNNKICVKCEK QLPVHFVGIGKC ; _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12531 _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 1 no GenBank AAG30414 . 'RC-RNaseL1 ribonuclease precursor [Rana catesbeiana]' . . . . . 99.11 132 100.00 100.00 3.95e-59 . . . . 4942 1 2 no SWISS-PROT P14626 . 'Ribonuclease, liver' . . . . . 99.11 111 99.10 99.10 6.97e-58 . . . . 4942 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID M(-1),Q1 variant 4942 1 rRC-L1[M(-1),Q1] abbreviation 4942 1 'rRC-RNase L1[M(-1),Q1]' common 4942 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 -1 MET . 4942 1 2 1 GLN . 4942 1 3 2 ASN . 4942 1 4 3 TRP . 4942 1 5 4 ALA . 4942 1 6 5 LYS . 4942 1 7 6 PHE . 4942 1 8 7 LYS . 4942 1 9 8 GLU . 4942 1 10 9 LYS . 4942 1 11 10 HIS . 4942 1 12 11 ILE . 4942 1 13 12 THR . 4942 1 14 13 SER . 4942 1 15 14 THR . 4942 1 16 15 SER . 4942 1 17 16 SER . 4942 1 18 17 ILE . 4942 1 19 18 ASP . 4942 1 20 19 CYS . 4942 1 21 20 ASN . 4942 1 22 21 THR . 4942 1 23 22 ILE . 4942 1 24 23 MET . 4942 1 25 24 ASP . 4942 1 26 25 LYS . 4942 1 27 26 ALA . 4942 1 28 27 ILE . 4942 1 29 28 TYR . 4942 1 30 29 ILE . 4942 1 31 30 VAL . 4942 1 32 31 GLY . 4942 1 33 32 GLY . 4942 1 34 33 LYS . 4942 1 35 34 CYS . 4942 1 36 35 LYS . 4942 1 37 36 GLU . 4942 1 38 37 ARG . 4942 1 39 38 ASN . 4942 1 40 39 THR . 4942 1 41 40 PHE . 4942 1 42 41 ILE . 4942 1 43 42 ILE . 4942 1 44 43 SER . 4942 1 45 44 SER . 4942 1 46 45 GLU . 4942 1 47 46 ASP . 4942 1 48 47 ASN . 4942 1 49 48 VAL . 4942 1 50 49 LYS . 4942 1 51 50 ALA . 4942 1 52 51 ILE . 4942 1 53 52 CYS . 4942 1 54 53 SER . 4942 1 55 54 GLY . 4942 1 56 55 VAL . 4942 1 57 56 SER . 4942 1 58 57 PRO . 4942 1 59 58 ASP . 4942 1 60 59 ARG . 4942 1 61 60 LYS . 4942 1 62 61 GLU . 4942 1 63 62 LEU . 4942 1 64 63 SER . 4942 1 65 64 THR . 4942 1 66 65 THR . 4942 1 67 66 SER . 4942 1 68 67 PHE . 4942 1 69 68 LYS . 4942 1 70 69 LEU . 4942 1 71 70 ASN . 4942 1 72 71 THR . 4942 1 73 72 CYS . 4942 1 74 73 ILE . 4942 1 75 74 ARG . 4942 1 76 75 ASP . 4942 1 77 76 SER . 4942 1 78 77 ILE . 4942 1 79 78 THR . 4942 1 80 79 PRO . 4942 1 81 80 ARG . 4942 1 82 81 PRO . 4942 1 83 82 CYS . 4942 1 84 83 PRO . 4942 1 85 84 TYR . 4942 1 86 85 HIS . 4942 1 87 86 PRO . 4942 1 88 87 SER . 4942 1 89 88 PRO . 4942 1 90 89 ASP . 4942 1 91 90 ASN . 4942 1 92 91 ASN . 4942 1 93 92 LYS . 4942 1 94 93 ILE . 4942 1 95 94 CYS . 4942 1 96 95 VAL . 4942 1 97 96 LYS . 4942 1 98 97 CYS . 4942 1 99 98 GLU . 4942 1 100 99 LYS . 4942 1 101 100 GLN . 4942 1 102 101 LEU . 4942 1 103 102 PRO . 4942 1 104 103 VAL . 4942 1 105 104 HIS . 4942 1 106 105 PHE . 4942 1 107 106 VAL . 4942 1 108 107 GLY . 4942 1 109 108 ILE . 4942 1 110 109 GLY . 4942 1 111 110 LYS . 4942 1 112 111 CYS . 4942 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 . MET 1 1 4942 1 . GLN 2 2 4942 1 . ASN 3 3 4942 1 . TRP 4 4 4942 1 . ALA 5 5 4942 1 . LYS 6 6 4942 1 . PHE 7 7 4942 1 . LYS 8 8 4942 1 . GLU 9 9 4942 1 . LYS 10 10 4942 1 . HIS 11 11 4942 1 . ILE 12 12 4942 1 . THR 13 13 4942 1 . SER 14 14 4942 1 . THR 15 15 4942 1 . SER 16 16 4942 1 . SER 17 17 4942 1 . ILE 18 18 4942 1 . ASP 19 19 4942 1 . CYS 20 20 4942 1 . ASN 21 21 4942 1 . THR 22 22 4942 1 . ILE 23 23 4942 1 . MET 24 24 4942 1 . ASP 25 25 4942 1 . LYS 26 26 4942 1 . ALA 27 27 4942 1 . ILE 28 28 4942 1 . TYR 29 29 4942 1 . ILE 30 30 4942 1 . VAL 31 31 4942 1 . GLY 32 32 4942 1 . GLY 33 33 4942 1 . LYS 34 34 4942 1 . CYS 35 35 4942 1 . LYS 36 36 4942 1 . GLU 37 37 4942 1 . ARG 38 38 4942 1 . ASN 39 39 4942 1 . THR 40 40 4942 1 . PHE 41 41 4942 1 . ILE 42 42 4942 1 . ILE 43 43 4942 1 . SER 44 44 4942 1 . SER 45 45 4942 1 . GLU 46 46 4942 1 . ASP 47 47 4942 1 . ASN 48 48 4942 1 . VAL 49 49 4942 1 . LYS 50 50 4942 1 . ALA 51 51 4942 1 . ILE 52 52 4942 1 . CYS 53 53 4942 1 . SER 54 54 4942 1 . GLY 55 55 4942 1 . VAL 56 56 4942 1 . SER 57 57 4942 1 . PRO 58 58 4942 1 . ASP 59 59 4942 1 . ARG 60 60 4942 1 . LYS 61 61 4942 1 . GLU 62 62 4942 1 . LEU 63 63 4942 1 . SER 64 64 4942 1 . THR 65 65 4942 1 . THR 66 66 4942 1 . SER 67 67 4942 1 . PHE 68 68 4942 1 . LYS 69 69 4942 1 . LEU 70 70 4942 1 . ASN 71 71 4942 1 . THR 72 72 4942 1 . CYS 73 73 4942 1 . ILE 74 74 4942 1 . ARG 75 75 4942 1 . ASP 76 76 4942 1 . SER 77 77 4942 1 . ILE 78 78 4942 1 . THR 79 79 4942 1 . PRO 80 80 4942 1 . ARG 81 81 4942 1 . PRO 82 82 4942 1 . CYS 83 83 4942 1 . PRO 84 84 4942 1 . TYR 85 85 4942 1 . HIS 86 86 4942 1 . PRO 87 87 4942 1 . SER 88 88 4942 1 . PRO 89 89 4942 1 . ASP 90 90 4942 1 . ASN 91 91 4942 1 . ASN 92 92 4942 1 . LYS 93 93 4942 1 . ILE 94 94 4942 1 . CYS 95 95 4942 1 . VAL 96 96 4942 1 . LYS 97 97 4942 1 . CYS 98 98 4942 1 . GLU 99 99 4942 1 . LYS 100 100 4942 1 . GLN 101 101 4942 1 . LEU 102 102 4942 1 . PRO 103 103 4942 1 . VAL 104 104 4942 1 . HIS 105 105 4942 1 . PHE 106 106 4942 1 . VAL 107 107 4942 1 . GLY 108 108 4942 1 . ILE 109 109 4942 1 . GLY 110 110 4942 1 . LYS 111 111 4942 1 . CYS 112 112 4942 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 4942 _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 $rRC-RNase_L1 . 8400 . . 'Rana catesbeiana' bullfrog . . Eukaryota Metazoa Rana catesbeiana . . liver . . . . . . . . . . 4942 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 4942 _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 $rRC-RNase_L1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 DE3 . plasmid . . pET-11d . . . 4942 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4942 _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 'rRC-RNase L1[M(-1),Q1]' '[U-15N; U-13C]' . . 1 $rRC-RNase_L1 . . 1.6 . . mM . . . . 4942 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 4942 _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 3.5 0.1 n/a 4942 1 temperature 310 0.5 K 4942 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 4942 _Software.ID 1 _Software.Type . _Software.Name xwinnmr _Software.Version 2.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4942 1 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 4942 _Software.ID 2 _Software.Type . _Software.Name AURELIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 4942 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4942 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4942 _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 Bruker DRX . 600 . . . 4942 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 4942 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4942 1 2 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4942 1 3 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4942 1 4 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4942 1 5 '3D HBHA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4942 1 6 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4942 1 7 '3D HN(CA)CO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4942 1 8 '3D 15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4942 1 9 '3D 15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4942 1 10 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4942 1 11 '3D C(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4942 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 4942 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 external . . . . 4942 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . internal . . . . 4942 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 external . . . . 4942 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_CS_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CS_1 _Assigned_chem_shift_list.Entry_ID 4942 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 '2D 1H-13C HSQC' 1 $sample_1 . 4942 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 2 2 GLN HA H 1 4.57 0.02 . 1 . . . . . . . . . 4942 1 2 . 1 1 2 2 GLN HB2 H 1 2.20 0.02 . 2 . . . . . . . . . 4942 1 3 . 1 1 2 2 GLN HB3 H 1 2.02 0.02 . 2 . . . . . . . . . 4942 1 4 . 1 1 2 2 GLN HG2 H 1 2.46 0.02 . 1 . . . . . . . . . 4942 1 5 . 1 1 2 2 GLN HG3 H 1 2.46 0.02 . 1 . . . . . . . . . 4942 1 6 . 1 1 2 2 GLN HE21 H 1 7.56 0.02 . 2 . . . . . . . . . 4942 1 7 . 1 1 2 2 GLN HE22 H 1 6.74 0.02 . 2 . . . . . . . . . 4942 1 8 . 1 1 2 2 GLN C C 13 174.58 0.2 . 1 . . . . . . . . . 4942 1 9 . 1 1 2 2 GLN CA C 13 55.27 0.2 . 1 . . . . . . . . . 4942 1 10 . 1 1 2 2 GLN CB C 13 28.29 0.2 . 1 . . . . . . . . . 4942 1 11 . 1 1 2 2 GLN CG C 13 32.77 0.2 . 1 . . . . . . . . . 4942 1 12 . 1 1 2 2 GLN NE2 N 15 111.74 0.1 . 1 . . . . . . . . . 4942 1 13 . 1 1 3 3 ASN H H 1 7.99 0.02 . 1 . . . . . . . . . 4942 1 14 . 1 1 3 3 ASN HA H 1 4.77 0.02 . 1 . . . . . . . . . 4942 1 15 . 1 1 3 3 ASN HB2 H 1 3.24 0.02 . 2 . . . . . . . . . 4942 1 16 . 1 1 3 3 ASN HB3 H 1 3.05 0.02 . 2 . . . . . . . . . 4942 1 17 . 1 1 3 3 ASN HD21 H 1 7.56 0.02 . 1 . . . . . . . . . 4942 1 18 . 1 1 3 3 ASN HD22 H 1 6.86 0.02 . 1 . . . . . . . . . 4942 1 19 . 1 1 3 3 ASN C C 13 175.53 0.2 . 1 . . . . . . . . . 4942 1 20 . 1 1 3 3 ASN CA C 13 52.32 0.2 . 1 . . . . . . . . . 4942 1 21 . 1 1 3 3 ASN CB C 13 38.92 0.2 . 1 . . . . . . . . . 4942 1 22 . 1 1 3 3 ASN N N 15 118.74 0.1 . 1 . . . . . . . . . 4942 1 23 . 1 1 3 3 ASN ND2 N 15 111.40 0.1 . 1 . . . . . . . . . 4942 1 24 . 1 1 4 4 TRP H H 1 9.20 0.02 . 1 . . . . . . . . . 4942 1 25 . 1 1 4 4 TRP HA H 1 5.28 0.02 . 1 . . . . . . . . . 4942 1 26 . 1 1 4 4 TRP HB2 H 1 3.44 0.02 . 2 . . . . . . . . . 4942 1 27 . 1 1 4 4 TRP HB3 H 1 3.14 0.02 . 2 . . . . . . . . . 4942 1 28 . 1 1 4 4 TRP HD1 H 1 7.33 0.02 . 2 . . . . . . . . . 4942 1 29 . 1 1 4 4 TRP HE1 H 1 10.32 0.02 . 1 . . . . . . . . . 4942 1 30 . 1 1 4 4 TRP HE3 H 1 8.37 0.02 . 1 . . . . . . . . . 4942 1 31 . 1 1 4 4 TRP HZ2 H 1 7.56 0.02 . 1 . . . . . . . . . 4942 1 32 . 1 1 4 4 TRP HZ3 H 1 6.78 0.02 . 1 . . . . . . . . . 4942 1 33 . 1 1 4 4 TRP HH2 H 1 7.14 0.02 . 1 . . . . . . . . . 4942 1 34 . 1 1 4 4 TRP C C 13 176.21 0.2 . 1 . . . . . . . . . 4942 1 35 . 1 1 4 4 TRP CA C 13 58.11 0.2 . 1 . . . . . . . . . 4942 1 36 . 1 1 4 4 TRP CB C 13 30.66 0.2 . 1 . . . . . . . . . 4942 1 37 . 1 1 4 4 TRP CD1 C 13 127.92 0.2 . 1 . . . . . . . . . 4942 1 38 . 1 1 4 4 TRP CE3 C 13 123.72 0.2 . 1 . . . . . . . . . 4942 1 39 . 1 1 4 4 TRP CZ2 C 13 113.39 0.2 . 1 . . . . . . . . . 4942 1 40 . 1 1 4 4 TRP CZ3 C 13 119.32 0.2 . 1 . . . . . . . . . 4942 1 41 . 1 1 4 4 TRP CH2 C 13 122.59 0.2 . 1 . . . . . . . . . 4942 1 42 . 1 1 4 4 TRP N N 15 123.88 0.1 . 1 . . . . . . . . . 4942 1 43 . 1 1 4 4 TRP NE1 N 15 127.80 0.1 . 1 . . . . . . . . . 4942 1 44 . 1 1 5 5 ALA H H 1 8.08 0.02 . 1 . . . . . . . . . 4942 1 45 . 1 1 5 5 ALA HA H 1 3.52 0.02 . 1 . . . . . . . . . 4942 1 46 . 1 1 5 5 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . . 4942 1 47 . 1 1 5 5 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . . 4942 1 48 . 1 1 5 5 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . . 4942 1 49 . 1 1 5 5 ALA C C 13 180.93 0.2 . 1 . . . . . . . . . 4942 1 50 . 1 1 5 5 ALA CA C 13 54.92 0.2 . 1 . . . . . . . . . 4942 1 51 . 1 1 5 5 ALA CB C 13 17.30 0.2 . 1 . . . . . . . . . 4942 1 52 . 1 1 5 5 ALA N N 15 120.67 0.1 . 1 . . . . . . . . . 4942 1 53 . 1 1 6 6 LYS H H 1 8.24 0.02 . 1 . . . . . . . . . 4942 1 54 . 1 1 6 6 LYS HA H 1 4.08 0.02 . 1 . . . . . . . . . 4942 1 55 . 1 1 6 6 LYS HB2 H 1 1.99 0.02 . 2 . . . . . . . . . 4942 1 56 . 1 1 6 6 LYS HB3 H 1 1.86 0.02 . 2 . . . . . . . . . 4942 1 57 . 1 1 6 6 LYS HG2 H 1 1.62 0.02 . 2 . . . . . . . . . 4942 1 58 . 1 1 6 6 LYS HG3 H 1 1.54 0.02 . 2 . . . . . . . . . 4942 1 59 . 1 1 6 6 LYS HD2 H 1 1.76 0.02 . 2 . . . . . . . . . 4942 1 60 . 1 1 6 6 LYS HD3 H 1 1.66 0.02 . 2 . . . . . . . . . 4942 1 61 . 1 1 6 6 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . . 4942 1 62 . 1 1 6 6 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . . 4942 1 63 . 1 1 6 6 LYS C C 13 178.08 0.2 . 1 . . . . . . . . . 4942 1 64 . 1 1 6 6 LYS CA C 13 57.66 0.2 . 1 . . . . . . . . . 4942 1 65 . 1 1 6 6 LYS CB C 13 31.67 0.2 . 1 . . . . . . . . . 4942 1 66 . 1 1 6 6 LYS CG C 13 24.80 0.2 . 1 . . . . . . . . . 4942 1 67 . 1 1 6 6 LYS CD C 13 27.92 0.2 . 1 . . . . . . . . . 4942 1 68 . 1 1 6 6 LYS CE C 13 41.67 0.2 . 1 . . . . . . . . . 4942 1 69 . 1 1 6 6 LYS N N 15 117.40 0.1 . 1 . . . . . . . . . 4942 1 70 . 1 1 7 7 PHE H H 1 8.20 0.02 . 1 . . . . . . . . . 4942 1 71 . 1 1 7 7 PHE HA H 1 4.17 0.02 . 1 . . . . . . . . . 4942 1 72 . 1 1 7 7 PHE HB2 H 1 3.59 0.02 . 2 . . . . . . . . . 4942 1 73 . 1 1 7 7 PHE HB3 H 1 3.08 0.02 . 2 . . . . . . . . . 4942 1 74 . 1 1 7 7 PHE HD1 H 1 7.14 0.02 . 2 . . . . . . . . . 4942 1 75 . 1 1 7 7 PHE HE1 H 1 7.00 0.02 . 1 . . . . . . . . . 4942 1 76 . 1 1 7 7 PHE HZ H 1 7.32 0.02 . 1 . . . . . . . . . 4942 1 77 . 1 1 7 7 PHE C C 13 177.77 0.2 . 1 . . . . . . . . . 4942 1 78 . 1 1 7 7 PHE CA C 13 61.03 0.2 . 1 . . . . . . . . . 4942 1 79 . 1 1 7 7 PHE CB C 13 38.55 0.2 . 1 . . . . . . . . . 4942 1 80 . 1 1 7 7 PHE CD1 C 13 132.08 0.2 . 1 . . . . . . . . . 4942 1 81 . 1 1 7 7 PHE CE1 C 13 129.04 0.2 . 1 . . . . . . . . . 4942 1 82 . 1 1 7 7 PHE CZ C 13 134.57 0.2 . 1 . . . . . . . . . 4942 1 83 . 1 1 7 7 PHE N N 15 121.99 0.1 . 1 . . . . . . . . . 4942 1 84 . 1 1 8 8 LYS H H 1 8.78 0.02 . 1 . . . . . . . . . 4942 1 85 . 1 1 8 8 LYS HA H 1 3.44 0.02 . 1 . . . . . . . . . 4942 1 86 . 1 1 8 8 LYS HB2 H 1 1.05 0.02 . 2 . . . . . . . . . 4942 1 87 . 1 1 8 8 LYS HB3 H 1 0.88 0.02 . 2 . . . . . . . . . 4942 1 88 . 1 1 8 8 LYS HG2 H 1 0.97 0.02 . 2 . . . . . . . . . 4942 1 89 . 1 1 8 8 LYS HG3 H 1 0.83 0.02 . 2 . . . . . . . . . 4942 1 90 . 1 1 8 8 LYS HD2 H 1 1.31 0.02 . 2 . . . . . . . . . 4942 1 91 . 1 1 8 8 LYS HD3 H 1 1.08 0.02 . 2 . . . . . . . . . 4942 1 92 . 1 1 8 8 LYS HE2 H 1 2.67 0.02 . 2 . . . . . . . . . 4942 1 93 . 1 1 8 8 LYS HE3 H 1 2.51 0.02 . 2 . . . . . . . . . 4942 1 94 . 1 1 8 8 LYS C C 13 178.32 0.2 . 1 . . . . . . . . . 4942 1 95 . 1 1 8 8 LYS CA C 13 58.70 0.2 . 1 . . . . . . . . . 4942 1 96 . 1 1 8 8 LYS CB C 13 30.61 0.2 . 1 . . . . . . . . . 4942 1 97 . 1 1 8 8 LYS CG C 13 23.20 0.2 . 1 . . . . . . . . . 4942 1 98 . 1 1 8 8 LYS CD C 13 28.76 0.2 . 1 . . . . . . . . . 4942 1 99 . 1 1 8 8 LYS CE C 13 40.88 0.2 . 1 . . . . . . . . . 4942 1 100 . 1 1 8 8 LYS N N 15 120.15 0.1 . 1 . . . . . . . . . 4942 1 101 . 1 1 9 9 GLU H H 1 7.55 0.02 . 1 . . . . . . . . . 4942 1 102 . 1 1 9 9 GLU HA H 1 3.89 0.02 . 1 . . . . . . . . . 4942 1 103 . 1 1 9 9 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . . 4942 1 104 . 1 1 9 9 GLU HB3 H 1 1.93 0.02 . 2 . . . . . . . . . 4942 1 105 . 1 1 9 9 GLU HG2 H 1 2.23 0.02 . 2 . . . . . . . . . 4942 1 106 . 1 1 9 9 GLU HG3 H 1 2.07 0.02 . 2 . . . . . . . . . 4942 1 107 . 1 1 9 9 GLU C C 13 178.47 0.2 . 1 . . . . . . . . . 4942 1 108 . 1 1 9 9 GLU CA C 13 57.96 0.2 . 1 . . . . . . . . . 4942 1 109 . 1 1 9 9 GLU CB C 13 28.91 0.2 . 1 . . . . . . . . . 4942 1 110 . 1 1 9 9 GLU CG C 13 34.83 0.2 . 1 . . . . . . . . . 4942 1 111 . 1 1 9 9 GLU N N 15 118.73 0.1 . 1 . . . . . . . . . 4942 1 112 . 1 1 10 10 LYS H H 1 7.89 0.02 . 1 . . . . . . . . . 4942 1 113 . 1 1 10 10 LYS HA H 1 3.82 0.02 . 1 . . . . . . . . . 4942 1 114 . 1 1 10 10 LYS HB2 H 1 1.50 0.02 . 2 . . . . . . . . . 4942 1 115 . 1 1 10 10 LYS HB3 H 1 0.98 0.02 . 2 . . . . . . . . . 4942 1 116 . 1 1 10 10 LYS HG2 H 1 1.41 0.02 . 2 . . . . . . . . . 4942 1 117 . 1 1 10 10 LYS HG3 H 1 0.82 0.02 . 2 . . . . . . . . . 4942 1 118 . 1 1 10 10 LYS HD2 H 1 1.67 0.02 . 2 . . . . . . . . . 4942 1 119 . 1 1 10 10 LYS HD3 H 1 1.59 0.02 . 2 . . . . . . . . . 4942 1 120 . 1 1 10 10 LYS HE2 H 1 2.79 0.02 . 1 . . . . . . . . . 4942 1 121 . 1 1 10 10 LYS HE3 H 1 2.79 0.02 . 1 . . . . . . . . . 4942 1 122 . 1 1 10 10 LYS C C 13 179.50 0.2 . 1 . . . . . . . . . 4942 1 123 . 1 1 10 10 LYS CA C 13 57.67 0.2 . 1 . . . . . . . . . 4942 1 124 . 1 1 10 10 LYS CB C 13 34.03 0.2 . 1 . . . . . . . . . 4942 1 125 . 1 1 10 10 LYS CG C 13 25.91 0.2 . 1 . . . . . . . . . 4942 1 126 . 1 1 10 10 LYS CD C 13 29.03 0.2 . 1 . . . . . . . . . 4942 1 127 . 1 1 10 10 LYS CE C 13 40.91 0.2 . 1 . . . . . . . . . 4942 1 128 . 1 1 10 10 LYS N N 15 113.48 0.1 . 1 . . . . . . . . . 4942 1 129 . 1 1 11 11 HIS H H 1 7.95 0.02 . 1 . . . . . . . . . 4942 1 130 . 1 1 11 11 HIS HA H 1 4.47 0.02 . 1 . . . . . . . . . 4942 1 131 . 1 1 11 11 HIS HB2 H 1 2.66 0.02 . 2 . . . . . . . . . 4942 1 132 . 1 1 11 11 HIS HB3 H 1 2.10 0.02 . 2 . . . . . . . . . 4942 1 133 . 1 1 11 11 HIS HD2 H 1 6.56 0.02 . 2 . . . . . . . . . 4942 1 134 . 1 1 11 11 HIS HE1 H 1 8.35 0.02 . 1 . . . . . . . . . 4942 1 135 . 1 1 11 11 HIS C C 13 173.32 0.2 . 1 . . . . . . . . . 4942 1 136 . 1 1 11 11 HIS CA C 13 55.68 0.2 . 1 . . . . . . . . . 4942 1 137 . 1 1 11 11 HIS CB C 13 30.30 0.2 . 1 . . . . . . . . . 4942 1 138 . 1 1 11 11 HIS CD2 C 13 121.76 0.2 . 1 . . . . . . . . . 4942 1 139 . 1 1 11 11 HIS CE1 C 13 137.07 0.2 . 1 . . . . . . . . . 4942 1 140 . 1 1 11 11 HIS N N 15 110.45 0.1 . 1 . . . . . . . . . 4942 1 141 . 1 1 12 12 ILE H H 1 8.36 0.02 . 1 . . . . . . . . . 4942 1 142 . 1 1 12 12 ILE HA H 1 4.95 0.02 . 1 . . . . . . . . . 4942 1 143 . 1 1 12 12 ILE HB H 1 1.97 0.02 . 1 . . . . . . . . . 4942 1 144 . 1 1 12 12 ILE HG12 H 1 1.69 0.02 . 2 . . . . . . . . . 4942 1 145 . 1 1 12 12 ILE HG13 H 1 1.00 0.02 . 2 . . . . . . . . . 4942 1 146 . 1 1 12 12 ILE HG21 H 1 0.96 0.02 . 1 . . . . . . . . . 4942 1 147 . 1 1 12 12 ILE HG22 H 1 0.96 0.02 . 1 . . . . . . . . . 4942 1 148 . 1 1 12 12 ILE HG23 H 1 0.96 0.02 . 1 . . . . . . . . . 4942 1 149 . 1 1 12 12 ILE HD11 H 1 1.10 0.02 . 1 . . . . . . . . . 4942 1 150 . 1 1 12 12 ILE HD12 H 1 1.10 0.02 . 1 . . . . . . . . . 4942 1 151 . 1 1 12 12 ILE HD13 H 1 1.10 0.02 . 1 . . . . . . . . . 4942 1 152 . 1 1 12 12 ILE C C 13 175.07 0.2 . 1 . . . . . . . . . 4942 1 153 . 1 1 12 12 ILE CA C 13 61.42 0.2 . 1 . . . . . . . . . 4942 1 154 . 1 1 12 12 ILE CB C 13 37.69 0.2 . 1 . . . . . . . . . 4942 1 155 . 1 1 12 12 ILE CG1 C 13 27.06 0.2 . 1 . . . . . . . . . 4942 1 156 . 1 1 12 12 ILE CG2 C 13 16.44 0.2 . 1 . . . . . . . . . 4942 1 157 . 1 1 12 12 ILE CD1 C 13 14.56 0.2 . 1 . . . . . . . . . 4942 1 158 . 1 1 12 12 ILE N N 15 120.18 0.1 . 1 . . . . . . . . . 4942 1 159 . 1 1 13 13 THR H H 1 8.66 0.02 . 1 . . . . . . . . . 4942 1 160 . 1 1 13 13 THR HA H 1 4.84 0.02 . 1 . . . . . . . . . 4942 1 161 . 1 1 13 13 THR HB H 1 3.99 0.02 . 1 . . . . . . . . . 4942 1 162 . 1 1 13 13 THR HG21 H 1 1.00 0.02 . 1 . . . . . . . . . 4942 1 163 . 1 1 13 13 THR HG22 H 1 1.00 0.02 . 1 . . . . . . . . . 4942 1 164 . 1 1 13 13 THR HG23 H 1 1.00 0.02 . 1 . . . . . . . . . 4942 1 165 . 1 1 13 13 THR C C 13 171.45 0.2 . 1 . . . . . . . . . 4942 1 166 . 1 1 13 13 THR CA C 13 59.08 0.2 . 1 . . . . . . . . . 4942 1 167 . 1 1 13 13 THR CB C 13 69.15 0.2 . 1 . . . . . . . . . 4942 1 168 . 1 1 13 13 THR CG2 C 13 19.70 0.2 . 1 . . . . . . . . . 4942 1 169 . 1 1 13 13 THR N N 15 122.43 0.1 . 1 . . . . . . . . . 4942 1 170 . 1 1 14 14 SER H H 1 8.08 0.02 . 1 . . . . . . . . . 4942 1 171 . 1 1 14 14 SER HA H 1 4.56 0.02 . 1 . . . . . . . . . 4942 1 172 . 1 1 14 14 SER HB2 H 1 3.95 0.02 . 2 . . . . . . . . . 4942 1 173 . 1 1 14 14 SER HB3 H 1 3.89 0.02 . 2 . . . . . . . . . 4942 1 174 . 1 1 14 14 SER C C 13 174.85 0.2 . 1 . . . . . . . . . 4942 1 175 . 1 1 14 14 SER CA C 13 57.67 0.2 . 1 . . . . . . . . . 4942 1 176 . 1 1 14 14 SER CB C 13 63.52 0.2 . 1 . . . . . . . . . 4942 1 177 . 1 1 14 14 SER N N 15 116.52 0.1 . 1 . . . . . . . . . 4942 1 178 . 1 1 15 15 THR H H 1 7.76 0.02 . 1 . . . . . . . . . 4942 1 179 . 1 1 15 15 THR HA H 1 4.44 0.02 . 1 . . . . . . . . . 4942 1 180 . 1 1 15 15 THR HB H 1 4.07 0.02 . 1 . . . . . . . . . 4942 1 181 . 1 1 15 15 THR HG21 H 1 1.04 0.02 . 1 . . . . . . . . . 4942 1 182 . 1 1 15 15 THR HG22 H 1 1.04 0.02 . 1 . . . . . . . . . 4942 1 183 . 1 1 15 15 THR HG23 H 1 1.04 0.02 . 1 . . . . . . . . . 4942 1 184 . 1 1 15 15 THR C C 13 172.35 0.2 . 1 . . . . . . . . . 4942 1 185 . 1 1 15 15 THR CA C 13 59.53 0.2 . 1 . . . . . . . . . 4942 1 186 . 1 1 15 15 THR CB C 13 69.05 0.2 . 1 . . . . . . . . . 4942 1 187 . 1 1 15 15 THR CG2 C 13 20.01 0.2 . 1 . . . . . . . . . 4942 1 188 . 1 1 15 15 THR N N 15 116.38 0.1 . 1 . . . . . . . . . 4942 1 189 . 1 1 16 16 SER H H 1 8.24 0.02 . 1 . . . . . . . . . 4942 1 190 . 1 1 16 16 SER HA H 1 4.26 0.02 . 1 . . . . . . . . . 4942 1 191 . 1 1 16 16 SER HB2 H 1 3.96 0.02 . 2 . . . . . . . . . 4942 1 192 . 1 1 16 16 SER HB3 H 1 3.79 0.02 . 2 . . . . . . . . . 4942 1 193 . 1 1 16 16 SER C C 13 175.29 0.2 . 1 . . . . . . . . . 4942 1 194 . 1 1 16 16 SER CA C 13 58.65 0.2 . 1 . . . . . . . . . 4942 1 195 . 1 1 16 16 SER CB C 13 62.92 0.2 . 1 . . . . . . . . . 4942 1 196 . 1 1 16 16 SER N N 15 116.97 0.1 . 1 . . . . . . . . . 4942 1 197 . 1 1 17 17 SER H H 1 7.93 0.02 . 1 . . . . . . . . . 4942 1 198 . 1 1 17 17 SER HA H 1 4.48 0.02 . 1 . . . . . . . . . 4942 1 199 . 1 1 17 17 SER HB2 H 1 3.77 0.02 . 2 . . . . . . . . . 4942 1 200 . 1 1 17 17 SER HB3 H 1 3.70 0.02 . 2 . . . . . . . . . 4942 1 201 . 1 1 17 17 SER C C 13 173.20 0.2 . 1 . . . . . . . . . 4942 1 202 . 1 1 17 17 SER CA C 13 56.13 0.2 . 1 . . . . . . . . . 4942 1 203 . 1 1 17 17 SER CB C 13 61.71 0.2 . 1 . . . . . . . . . 4942 1 204 . 1 1 17 17 SER N N 15 118.55 0.1 . 1 . . . . . . . . . 4942 1 205 . 1 1 18 18 ILE H H 1 7.67 0.02 . 1 . . . . . . . . . 4942 1 206 . 1 1 18 18 ILE HA H 1 3.82 0.02 . 1 . . . . . . . . . 4942 1 207 . 1 1 18 18 ILE HB H 1 1.32 0.02 . 1 . . . . . . . . . 4942 1 208 . 1 1 18 18 ILE HG12 H 1 1.11 0.02 . 2 . . . . . . . . . 4942 1 209 . 1 1 18 18 ILE HG13 H 1 0.63 0.02 . 2 . . . . . . . . . 4942 1 210 . 1 1 18 18 ILE HG21 H 1 0.34 0.02 . 1 . . . . . . . . . 4942 1 211 . 1 1 18 18 ILE HG22 H 1 0.34 0.02 . 1 . . . . . . . . . 4942 1 212 . 1 1 18 18 ILE HG23 H 1 0.34 0.02 . 1 . . . . . . . . . 4942 1 213 . 1 1 18 18 ILE HD11 H 1 0.38 0.02 . 1 . . . . . . . . . 4942 1 214 . 1 1 18 18 ILE HD12 H 1 0.38 0.02 . 1 . . . . . . . . . 4942 1 215 . 1 1 18 18 ILE HD13 H 1 0.38 0.02 . 1 . . . . . . . . . 4942 1 216 . 1 1 18 18 ILE C C 13 174.41 0.2 . 1 . . . . . . . . . 4942 1 217 . 1 1 18 18 ILE CA C 13 59.53 0.2 . 1 . . . . . . . . . 4942 1 218 . 1 1 18 18 ILE CB C 13 39.85 0.2 . 1 . . . . . . . . . 4942 1 219 . 1 1 18 18 ILE CG1 C 13 26.10 0.2 . 1 . . . . . . . . . 4942 1 220 . 1 1 18 18 ILE CG2 C 13 16.10 0.2 . 1 . . . . . . . . . 4942 1 221 . 1 1 18 18 ILE CD1 C 13 12.97 0.2 . 1 . . . . . . . . . 4942 1 222 . 1 1 18 18 ILE N N 15 123.13 0.1 . 1 . . . . . . . . . 4942 1 223 . 1 1 19 19 ASP H H 1 8.35 0.02 . 1 . . . . . . . . . 4942 1 224 . 1 1 19 19 ASP HA H 1 4.81 0.02 . 1 . . . . . . . . . 4942 1 225 . 1 1 19 19 ASP HB2 H 1 2.82 0.02 . 2 . . . . . . . . . 4942 1 226 . 1 1 19 19 ASP HB3 H 1 2.48 0.02 . 2 . . . . . . . . . 4942 1 227 . 1 1 19 19 ASP C C 13 175.98 0.2 . 1 . . . . . . . . . 4942 1 228 . 1 1 19 19 ASP CA C 13 51.22 0.2 . 1 . . . . . . . . . 4942 1 229 . 1 1 19 19 ASP CB C 13 40.15 0.2 . 1 . . . . . . . . . 4942 1 230 . 1 1 19 19 ASP N N 15 126.55 0.1 . 1 . . . . . . . . . 4942 1 231 . 1 1 20 20 CYS H H 1 9.56 0.02 . 1 . . . . . . . . . 4942 1 232 . 1 1 20 20 CYS HA H 1 4.04 0.02 . 1 . . . . . . . . . 4942 1 233 . 1 1 20 20 CYS HB2 H 1 2.64 0.02 . 2 . . . . . . . . . 4942 1 234 . 1 1 20 20 CYS HB3 H 1 2.34 0.02 . 2 . . . . . . . . . 4942 1 235 . 1 1 20 20 CYS C C 13 175.07 0.2 . 1 . . . . . . . . . 4942 1 236 . 1 1 20 20 CYS CA C 13 57.96 0.2 . 1 . . . . . . . . . 4942 1 237 . 1 1 20 20 CYS CB C 13 37.67 0.2 . 1 . . . . . . . . . 4942 1 238 . 1 1 20 20 CYS N N 15 123.52 0.1 . 1 . . . . . . . . . 4942 1 239 . 1 1 21 21 ASN H H 1 8.26 0.02 . 1 . . . . . . . . . 4942 1 240 . 1 1 21 21 ASN HA H 1 4.49 0.02 . 1 . . . . . . . . . 4942 1 241 . 1 1 21 21 ASN HB2 H 1 2.95 0.02 . 2 . . . . . . . . . 4942 1 242 . 1 1 21 21 ASN HB3 H 1 2.77 0.02 . 2 . . . . . . . . . 4942 1 243 . 1 1 21 21 ASN HD21 H 1 7.50 0.02 . 1 . . . . . . . . . 4942 1 244 . 1 1 21 21 ASN HD22 H 1 6.89 0.02 . 1 . . . . . . . . . 4942 1 245 . 1 1 21 21 ASN C C 13 177.96 0.2 . 1 . . . . . . . . . 4942 1 246 . 1 1 21 21 ASN CA C 13 55.63 0.2 . 1 . . . . . . . . . 4942 1 247 . 1 1 21 21 ASN CB C 13 37.05 0.2 . 1 . . . . . . . . . 4942 1 248 . 1 1 21 21 ASN N N 15 115.60 0.1 . 1 . . . . . . . . . 4942 1 249 . 1 1 21 21 ASN ND2 N 15 109.73 0.1 . 1 . . . . . . . . . 4942 1 250 . 1 1 22 22 THR H H 1 7.33 0.02 . 1 . . . . . . . . . 4942 1 251 . 1 1 22 22 THR HA H 1 4.25 0.02 . 1 . . . . . . . . . 4942 1 252 . 1 1 22 22 THR HB H 1 4.07 0.02 . 1 . . . . . . . . . 4942 1 253 . 1 1 22 22 THR HG21 H 1 1.31 0.02 . 1 . . . . . . . . . 4942 1 254 . 1 1 22 22 THR HG22 H 1 1.31 0.02 . 1 . . . . . . . . . 4942 1 255 . 1 1 22 22 THR HG23 H 1 1.31 0.02 . 1 . . . . . . . . . 4942 1 256 . 1 1 22 22 THR C C 13 177.48 0.2 . 1 . . . . . . . . . 4942 1 257 . 1 1 22 22 THR CA C 13 63.92 0.2 . 1 . . . . . . . . . 4942 1 258 . 1 1 22 22 THR CB C 13 68.19 0.2 . 1 . . . . . . . . . 4942 1 259 . 1 1 22 22 THR CG2 C 13 21.42 0.2 . 1 . . . . . . . . . 4942 1 260 . 1 1 22 22 THR N N 15 112.33 0.1 . 1 . . . . . . . . . 4942 1 261 . 1 1 23 23 ILE H H 1 8.28 0.02 . 1 . . . . . . . . . 4942 1 262 . 1 1 23 23 ILE HA H 1 3.85 0.02 . 1 . . . . . . . . . 4942 1 263 . 1 1 23 23 ILE HB H 1 1.50 0.02 . 1 . . . . . . . . . 4942 1 264 . 1 1 23 23 ILE HG12 H 1 1.30 0.02 . 2 . . . . . . . . . 4942 1 265 . 1 1 23 23 ILE HG13 H 1 1.12 0.02 . 2 . . . . . . . . . 4942 1 266 . 1 1 23 23 ILE HG21 H 1 0.54 0.02 . 1 . . . . . . . . . 4942 1 267 . 1 1 23 23 ILE HG22 H 1 0.54 0.02 . 1 . . . . . . . . . 4942 1 268 . 1 1 23 23 ILE HG23 H 1 0.54 0.02 . 1 . . . . . . . . . 4942 1 269 . 1 1 23 23 ILE HD11 H 1 0.17 0.02 . 1 . . . . . . . . . 4942 1 270 . 1 1 23 23 ILE HD12 H 1 0.17 0.02 . 1 . . . . . . . . . 4942 1 271 . 1 1 23 23 ILE HD13 H 1 0.17 0.02 . 1 . . . . . . . . . 4942 1 272 . 1 1 23 23 ILE C C 13 175.37 0.2 . 1 . . . . . . . . . 4942 1 273 . 1 1 23 23 ILE CA C 13 64.29 0.2 . 1 . . . . . . . . . 4942 1 274 . 1 1 23 23 ILE CB C 13 37.03 0.2 . 1 . . . . . . . . . 4942 1 275 . 1 1 23 23 ILE CG1 C 13 28.90 0.2 . 1 . . . . . . . . . 4942 1 276 . 1 1 23 23 ILE CG2 C 13 17.65 0.2 . 1 . . . . . . . . . 4942 1 277 . 1 1 23 23 ILE CD1 C 13 12.65 0.2 . 1 . . . . . . . . . 4942 1 278 . 1 1 23 23 ILE N N 15 124.52 0.1 . 1 . . . . . . . . . 4942 1 279 . 1 1 24 24 MET H H 1 6.88 0.02 . 1 . . . . . . . . . 4942 1 280 . 1 1 24 24 MET HA H 1 4.54 0.02 . 1 . . . . . . . . . 4942 1 281 . 1 1 24 24 MET HB2 H 1 1.29 0.02 . 2 . . . . . . . . . 4942 1 282 . 1 1 24 24 MET HB3 H 1 0.43 0.02 . 2 . . . . . . . . . 4942 1 283 . 1 1 24 24 MET HG2 H 1 2.06 0.02 . 2 . . . . . . . . . 4942 1 284 . 1 1 24 24 MET HG3 H 1 1.66 0.02 . 2 . . . . . . . . . 4942 1 285 . 1 1 24 24 MET C C 13 177.82 0.2 . 1 . . . . . . . . . 4942 1 286 . 1 1 24 24 MET CA C 13 52.57 0.2 . 1 . . . . . . . . . 4942 1 287 . 1 1 24 24 MET CB C 13 29.51 0.2 . 1 . . . . . . . . . 4942 1 288 . 1 1 24 24 MET CG C 13 29.52 0.2 . 1 . . . . . . . . . 4942 1 289 . 1 1 24 24 MET N N 15 112.52 0.1 . 1 . . . . . . . . . 4942 1 290 . 1 1 25 25 ASP H H 1 7.19 0.02 . 1 . . . . . . . . . 4942 1 291 . 1 1 25 25 ASP HA H 1 4.96 0.02 . 1 . . . . . . . . . 4942 1 292 . 1 1 25 25 ASP HB2 H 1 3.03 0.02 . 2 . . . . . . . . . 4942 1 293 . 1 1 25 25 ASP HB3 H 1 2.62 0.02 . 2 . . . . . . . . . 4942 1 294 . 1 1 25 25 ASP C C 13 175.22 0.2 . 1 . . . . . . . . . 4942 1 295 . 1 1 25 25 ASP CA C 13 51.76 0.2 . 1 . . . . . . . . . 4942 1 296 . 1 1 25 25 ASP CB C 13 38.08 0.2 . 1 . . . . . . . . . 4942 1 297 . 1 1 25 25 ASP N N 15 120.44 0.1 . 1 . . . . . . . . . 4942 1 298 . 1 1 26 26 LYS H H 1 8.12 0.02 . 1 . . . . . . . . . 4942 1 299 . 1 1 26 26 LYS HA H 1 4.54 0.02 . 1 . . . . . . . . . 4942 1 300 . 1 1 26 26 LYS HB2 H 1 1.91 0.02 . 2 . . . . . . . . . 4942 1 301 . 1 1 26 26 LYS HB3 H 1 1.61 0.02 . 2 . . . . . . . . . 4942 1 302 . 1 1 26 26 LYS HG2 H 1 1.62 0.02 . 2 . . . . . . . . . 4942 1 303 . 1 1 26 26 LYS HG3 H 1 1.43 0.02 . 2 . . . . . . . . . 4942 1 304 . 1 1 26 26 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . . 4942 1 305 . 1 1 26 26 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . . 4942 1 306 . 1 1 26 26 LYS HE2 H 1 3.11 0.02 . 2 . . . . . . . . . 4942 1 307 . 1 1 26 26 LYS HE3 H 1 3.07 0.02 . 2 . . . . . . . . . 4942 1 308 . 1 1 26 26 LYS C C 13 176.85 0.2 . 1 . . . . . . . . . 4942 1 309 . 1 1 26 26 LYS CA C 13 54.84 0.2 . 1 . . . . . . . . . 4942 1 310 . 1 1 26 26 LYS CB C 13 37.63 0.2 . 1 . . . . . . . . . 4942 1 311 . 1 1 26 26 LYS CG C 13 25.13 0.2 . 1 . . . . . . . . . 4942 1 312 . 1 1 26 26 LYS CD C 13 29.51 0.2 . 1 . . . . . . . . . 4942 1 313 . 1 1 26 26 LYS CE C 13 42.01 0.2 . 1 . . . . . . . . . 4942 1 314 . 1 1 26 26 LYS N N 15 118.93 0.1 . 1 . . . . . . . . . 4942 1 315 . 1 1 27 27 ALA H H 1 8.60 0.02 . 1 . . . . . . . . . 4942 1 316 . 1 1 27 27 ALA HA H 1 3.94 0.02 . 1 . . . . . . . . . 4942 1 317 . 1 1 27 27 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . . 4942 1 318 . 1 1 27 27 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . . 4942 1 319 . 1 1 27 27 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . . 4942 1 320 . 1 1 27 27 ALA C C 13 179.57 0.2 . 1 . . . . . . . . . 4942 1 321 . 1 1 27 27 ALA CA C 13 54.56 0.2 . 1 . . . . . . . . . 4942 1 322 . 1 1 27 27 ALA CB C 13 17.66 0.2 . 1 . . . . . . . . . 4942 1 323 . 1 1 27 27 ALA N N 15 124.18 0.1 . 1 . . . . . . . . . 4942 1 324 . 1 1 28 28 ILE H H 1 7.10 0.02 . 1 . . . . . . . . . 4942 1 325 . 1 1 28 28 ILE HA H 1 3.98 0.02 . 1 . . . . . . . . . 4942 1 326 . 1 1 28 28 ILE HB H 1 1.52 0.02 . 1 . . . . . . . . . 4942 1 327 . 1 1 28 28 ILE HG12 H 1 0.54 0.02 . 2 . . . . . . . . . 4942 1 328 . 1 1 28 28 ILE HG13 H 1 0.26 0.02 . 2 . . . . . . . . . 4942 1 329 . 1 1 28 28 ILE HG21 H 1 0.43 0.02 . 1 . . . . . . . . . 4942 1 330 . 1 1 28 28 ILE HG22 H 1 0.43 0.02 . 1 . . . . . . . . . 4942 1 331 . 1 1 28 28 ILE HG23 H 1 0.43 0.02 . 1 . . . . . . . . . 4942 1 332 . 1 1 28 28 ILE HD11 H 1 0.45 0.02 . 1 . . . . . . . . . 4942 1 333 . 1 1 28 28 ILE HD12 H 1 0.45 0.02 . 1 . . . . . . . . . 4942 1 334 . 1 1 28 28 ILE HD13 H 1 0.45 0.02 . 1 . . . . . . . . . 4942 1 335 . 1 1 28 28 ILE C C 13 175.75 0.2 . 1 . . . . . . . . . 4942 1 336 . 1 1 28 28 ILE CA C 13 62.42 0.2 . 1 . . . . . . . . . 4942 1 337 . 1 1 28 28 ILE CB C 13 37.23 0.2 . 1 . . . . . . . . . 4942 1 338 . 1 1 28 28 ILE CG1 C 13 25.36 0.2 . 1 . . . . . . . . . 4942 1 339 . 1 1 28 28 ILE CG2 C 13 15.98 0.2 . 1 . . . . . . . . . 4942 1 340 . 1 1 28 28 ILE CD1 C 13 13.48 0.2 . 1 . . . . . . . . . 4942 1 341 . 1 1 28 28 ILE N N 15 109.22 0.1 . 1 . . . . . . . . . 4942 1 342 . 1 1 29 29 TYR H H 1 7.51 0.02 . 1 . . . . . . . . . 4942 1 343 . 1 1 29 29 TYR HA H 1 4.78 0.02 . 1 . . . . . . . . . 4942 1 344 . 1 1 29 29 TYR HB2 H 1 3.43 0.02 . 2 . . . . . . . . . 4942 1 345 . 1 1 29 29 TYR HB3 H 1 3.07 0.02 . 2 . . . . . . . . . 4942 1 346 . 1 1 29 29 TYR HD1 H 1 6.99 0.02 . 2 . . . . . . . . . 4942 1 347 . 1 1 29 29 TYR HE1 H 1 6.60 0.02 . 1 . . . . . . . . . 4942 1 348 . 1 1 29 29 TYR C C 13 172.95 0.2 . 1 . . . . . . . . . 4942 1 349 . 1 1 29 29 TYR CA C 13 55.57 0.2 . 1 . . . . . . . . . 4942 1 350 . 1 1 29 29 TYR CB C 13 37.67 0.2 . 1 . . . . . . . . . 4942 1 351 . 1 1 29 29 TYR CD1 C 13 131.47 0.2 . 1 . . . . . . . . . 4942 1 352 . 1 1 29 29 TYR CE1 C 13 117.38 0.2 . 1 . . . . . . . . . 4942 1 353 . 1 1 29 29 TYR N N 15 118.84 0.1 . 1 . . . . . . . . . 4942 1 354 . 1 1 30 30 ILE H H 1 7.43 0.02 . 1 . . . . . . . . . 4942 1 355 . 1 1 30 30 ILE HA H 1 4.37 0.02 . 1 . . . . . . . . . 4942 1 356 . 1 1 30 30 ILE HB H 1 2.11 0.02 . 1 . . . . . . . . . 4942 1 357 . 1 1 30 30 ILE HG12 H 1 1.57 0.02 . 2 . . . . . . . . . 4942 1 358 . 1 1 30 30 ILE HG13 H 1 1.35 0.02 . 2 . . . . . . . . . 4942 1 359 . 1 1 30 30 ILE HG21 H 1 0.64 0.02 . 1 . . . . . . . . . 4942 1 360 . 1 1 30 30 ILE HG22 H 1 0.64 0.02 . 1 . . . . . . . . . 4942 1 361 . 1 1 30 30 ILE HG23 H 1 0.64 0.02 . 1 . . . . . . . . . 4942 1 362 . 1 1 30 30 ILE HD11 H 1 0.72 0.02 . 1 . . . . . . . . . 4942 1 363 . 1 1 30 30 ILE HD12 H 1 0.72 0.02 . 1 . . . . . . . . . 4942 1 364 . 1 1 30 30 ILE HD13 H 1 0.72 0.02 . 1 . . . . . . . . . 4942 1 365 . 1 1 30 30 ILE C C 13 175.77 0.2 . 1 . . . . . . . . . 4942 1 366 . 1 1 30 30 ILE CA C 13 58.50 0.2 . 1 . . . . . . . . . 4942 1 367 . 1 1 30 30 ILE CB C 13 34.69 0.2 . 1 . . . . . . . . . 4942 1 368 . 1 1 30 30 ILE CG1 C 13 25.32 0.2 . 1 . . . . . . . . . 4942 1 369 . 1 1 30 30 ILE CG2 C 13 15.94 0.2 . 1 . . . . . . . . . 4942 1 370 . 1 1 30 30 ILE CD1 C 13 9.07 0.2 . 1 . . . . . . . . . 4942 1 371 . 1 1 30 30 ILE N N 15 121.14 0.1 . 1 . . . . . . . . . 4942 1 372 . 1 1 31 31 VAL H H 1 8.55 0.02 . 1 . . . . . . . . . 4942 1 373 . 1 1 31 31 VAL HA H 1 4.35 0.02 . 1 . . . . . . . . . 4942 1 374 . 1 1 31 31 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . . 4942 1 375 . 1 1 31 31 VAL HG11 H 1 0.97 0.02 . 1 . . . . . . . . . 4942 1 376 . 1 1 31 31 VAL HG12 H 1 0.97 0.02 . 1 . . . . . . . . . 4942 1 377 . 1 1 31 31 VAL HG13 H 1 0.97 0.02 . 1 . . . . . . . . . 4942 1 378 . 1 1 31 31 VAL HG21 H 1 0.97 0.02 . 1 . . . . . . . . . 4942 1 379 . 1 1 31 31 VAL HG22 H 1 0.97 0.02 . 1 . . . . . . . . . 4942 1 380 . 1 1 31 31 VAL HG23 H 1 0.97 0.02 . 1 . . . . . . . . . 4942 1 381 . 1 1 31 31 VAL C C 13 177.33 0.2 . 1 . . . . . . . . . 4942 1 382 . 1 1 31 31 VAL CA C 13 60.61 0.2 . 1 . . . . . . . . . 4942 1 383 . 1 1 31 31 VAL CB C 13 33.58 0.2 . 1 . . . . . . . . . 4942 1 384 . 1 1 31 31 VAL CG1 C 13 20.12 0.2 . 1 . . . . . . . . . 4942 1 385 . 1 1 31 31 VAL CG2 C 13 20.12 0.2 . 1 . . . . . . . . . 4942 1 386 . 1 1 31 31 VAL N N 15 127.67 0.1 . 1 . . . . . . . . . 4942 1 387 . 1 1 32 32 GLY H H 1 9.35 0.02 . 1 . . . . . . . . . 4942 1 388 . 1 1 32 32 GLY HA2 H 1 3.89 0.02 . 1 . . . . . . . . . 4942 1 389 . 1 1 32 32 GLY HA3 H 1 3.89 0.02 . 1 . . . . . . . . . 4942 1 390 . 1 1 32 32 GLY C C 13 175.87 0.2 . 1 . . . . . . . . . 4942 1 391 . 1 1 32 32 GLY CA C 13 46.25 0.2 . 1 . . . . . . . . . 4942 1 392 . 1 1 32 32 GLY N N 15 119.65 0.1 . 1 . . . . . . . . . 4942 1 393 . 1 1 33 33 GLY H H 1 8.32 0.02 . 1 . . . . . . . . . 4942 1 394 . 1 1 33 33 GLY HA2 H 1 3.51 0.02 . 1 . . . . . . . . . 4942 1 395 . 1 1 33 33 GLY HA3 H 1 4.17 0.02 . 1 . . . . . . . . . 4942 1 396 . 1 1 33 33 GLY C C 13 173.56 0.2 . 1 . . . . . . . . . 4942 1 397 . 1 1 33 33 GLY CA C 13 44.25 0.2 . 1 . . . . . . . . . 4942 1 398 . 1 1 33 33 GLY N N 15 103.61 0.1 . 1 . . . . . . . . . 4942 1 399 . 1 1 34 34 LYS H H 1 7.55 0.02 . 1 . . . . . . . . . 4942 1 400 . 1 1 34 34 LYS HA H 1 4.79 0.02 . 1 . . . . . . . . . 4942 1 401 . 1 1 34 34 LYS HB2 H 1 1.75 0.02 . 1 . . . . . . . . . 4942 1 402 . 1 1 34 34 LYS HB3 H 1 1.75 0.02 . 1 . . . . . . . . . 4942 1 403 . 1 1 34 34 LYS HG2 H 1 1.38 0.02 . 1 . . . . . . . . . 4942 1 404 . 1 1 34 34 LYS HG3 H 1 1.38 0.02 . 1 . . . . . . . . . 4942 1 405 . 1 1 34 34 LYS HD2 H 1 1.67 0.02 . 2 . . . . . . . . . 4942 1 406 . 1 1 34 34 LYS HD3 H 1 1.62 0.02 . 2 . . . . . . . . . 4942 1 407 . 1 1 34 34 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . . 4942 1 408 . 1 1 34 34 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . . 4942 1 409 . 1 1 34 34 LYS C C 13 175.05 0.2 . 1 . . . . . . . . . 4942 1 410 . 1 1 34 34 LYS CA C 13 53.32 0.2 . 1 . . . . . . . . . 4942 1 411 . 1 1 34 34 LYS CB C 13 34.79 0.2 . 1 . . . . . . . . . 4942 1 412 . 1 1 34 34 LYS CG C 13 23.54 0.2 . 1 . . . . . . . . . 4942 1 413 . 1 1 34 34 LYS CD C 13 28.54 0.2 . 1 . . . . . . . . . 4942 1 414 . 1 1 34 34 LYS CE C 13 41.67 0.2 . 1 . . . . . . . . . 4942 1 415 . 1 1 34 34 LYS N N 15 118.73 0.1 . 1 . . . . . . . . . 4942 1 416 . 1 1 35 35 CYS H H 1 8.60 0.02 . 1 . . . . . . . . . 4942 1 417 . 1 1 35 35 CYS HA H 1 4.58 0.02 . 1 . . . . . . . . . 4942 1 418 . 1 1 35 35 CYS HB2 H 1 3.02 0.02 . 1 . . . . . . . . . 4942 1 419 . 1 1 35 35 CYS HB3 H 1 3.02 0.02 . 1 . . . . . . . . . 4942 1 420 . 1 1 35 35 CYS C C 13 175.14 0.2 . 1 . . . . . . . . . 4942 1 421 . 1 1 35 35 CYS CA C 13 54.99 0.2 . 1 . . . . . . . . . 4942 1 422 . 1 1 35 35 CYS CB C 13 45.78 0.2 . 1 . . . . . . . . . 4942 1 423 . 1 1 35 35 CYS N N 15 122.18 0.1 . 1 . . . . . . . . . 4942 1 424 . 1 1 36 36 LYS H H 1 8.35 0.02 . 1 . . . . . . . . . 4942 1 425 . 1 1 36 36 LYS HA H 1 4.19 0.02 . 1 . . . . . . . . . 4942 1 426 . 1 1 36 36 LYS HB2 H 1 2.31 0.02 . 2 . . . . . . . . . 4942 1 427 . 1 1 36 36 LYS HB3 H 1 1.62 0.02 . 2 . . . . . . . . . 4942 1 428 . 1 1 36 36 LYS HG2 H 1 1.79 0.02 . 2 . . . . . . . . . 4942 1 429 . 1 1 36 36 LYS HG3 H 1 1.50 0.02 . 2 . . . . . . . . . 4942 1 430 . 1 1 36 36 LYS HD2 H 1 1.98 0.02 . 2 . . . . . . . . . 4942 1 431 . 1 1 36 36 LYS HD3 H 1 1.64 0.02 . 2 . . . . . . . . . 4942 1 432 . 1 1 36 36 LYS HE2 H 1 3.41 0.02 . 2 . . . . . . . . . 4942 1 433 . 1 1 36 36 LYS HE3 H 1 3.31 0.02 . 2 . . . . . . . . . 4942 1 434 . 1 1 36 36 LYS C C 13 177.04 0.2 . 1 . . . . . . . . . 4942 1 435 . 1 1 36 36 LYS CA C 13 56.46 0.2 . 1 . . . . . . . . . 4942 1 436 . 1 1 36 36 LYS CB C 13 32.73 0.2 . 1 . . . . . . . . . 4942 1 437 . 1 1 36 36 LYS CG C 13 23.98 0.2 . 1 . . . . . . . . . 4942 1 438 . 1 1 36 36 LYS CD C 13 30.23 0.2 . 1 . . . . . . . . . 4942 1 439 . 1 1 36 36 LYS CE C 13 40.86 0.2 . 1 . . . . . . . . . 4942 1 440 . 1 1 36 36 LYS N N 15 124.11 0.1 . 1 . . . . . . . . . 4942 1 441 . 1 1 37 37 GLU H H 1 8.96 0.02 . 1 . . . . . . . . . 4942 1 442 . 1 1 37 37 GLU HA H 1 3.60 0.02 . 1 . . . . . . . . . 4942 1 443 . 1 1 37 37 GLU HB2 H 1 2.29 0.02 . 2 . . . . . . . . . 4942 1 444 . 1 1 37 37 GLU HB3 H 1 1.96 0.02 . 2 . . . . . . . . . 4942 1 445 . 1 1 37 37 GLU HG2 H 1 2.47 0.02 . 2 . . . . . . . . . 4942 1 446 . 1 1 37 37 GLU HG3 H 1 2.30 0.02 . 2 . . . . . . . . . 4942 1 447 . 1 1 37 37 GLU C C 13 174.65 0.2 . 1 . . . . . . . . . 4942 1 448 . 1 1 37 37 GLU CA C 13 60.00 0.2 . 1 . . . . . . . . . 4942 1 449 . 1 1 37 37 GLU CB C 13 28.42 0.2 . 1 . . . . . . . . . 4942 1 450 . 1 1 37 37 GLU CG C 13 35.28 0.2 . 1 . . . . . . . . . 4942 1 451 . 1 1 37 37 GLU N N 15 125.69 0.1 . 1 . . . . . . . . . 4942 1 452 . 1 1 38 38 ARG H H 1 7.49 0.02 . 1 . . . . . . . . . 4942 1 453 . 1 1 38 38 ARG HA H 1 5.47 0.02 . 1 . . . . . . . . . 4942 1 454 . 1 1 38 38 ARG HB2 H 1 2.22 0.02 . 2 . . . . . . . . . 4942 1 455 . 1 1 38 38 ARG HB3 H 1 1.33 0.02 . 2 . . . . . . . . . 4942 1 456 . 1 1 38 38 ARG HG2 H 1 1.60 0.02 . 2 . . . . . . . . . 4942 1 457 . 1 1 38 38 ARG HG3 H 1 1.27 0.02 . 2 . . . . . . . . . 4942 1 458 . 1 1 38 38 ARG HD2 H 1 3.26 0.02 . 2 . . . . . . . . . 4942 1 459 . 1 1 38 38 ARG HD3 H 1 2.89 0.02 . 2 . . . . . . . . . 4942 1 460 . 1 1 38 38 ARG HE H 1 8.57 0.02 . 1 . . . . . . . . . 4942 1 461 . 1 1 38 38 ARG C C 13 175.07 0.2 . 1 . . . . . . . . . 4942 1 462 . 1 1 38 38 ARG CA C 13 53.94 0.2 . 1 . . . . . . . . . 4942 1 463 . 1 1 38 38 ARG CB C 13 32.05 0.2 . 1 . . . . . . . . . 4942 1 464 . 1 1 38 38 ARG CG C 13 23.30 0.2 . 1 . . . . . . . . . 4942 1 465 . 1 1 38 38 ARG CD C 13 42.68 0.2 . 1 . . . . . . . . . 4942 1 466 . 1 1 38 38 ARG N N 15 107.85 0.1 . 1 . . . . . . . . . 4942 1 467 . 1 1 38 38 ARG NE N 15 85.51 0.1 . 1 . . . . . . . . . 4942 1 468 . 1 1 39 39 ASN H H 1 8.01 0.02 . 1 . . . . . . . . . 4942 1 469 . 1 1 39 39 ASN HA H 1 4.70 0.02 . 1 . . . . . . . . . 4942 1 470 . 1 1 39 39 ASN HB2 H 1 2.06 0.02 . 2 . . . . . . . . . 4942 1 471 . 1 1 39 39 ASN HB3 H 1 1.84 0.02 . 2 . . . . . . . . . 4942 1 472 . 1 1 39 39 ASN HD21 H 1 5.41 0.02 . 1 . . . . . . . . . 4942 1 473 . 1 1 39 39 ASN HD22 H 1 3.88 0.02 . 1 . . . . . . . . . 4942 1 474 . 1 1 39 39 ASN C C 13 173.02 0.2 . 1 . . . . . . . . . 4942 1 475 . 1 1 39 39 ASN CA C 13 53.47 0.2 . 1 . . . . . . . . . 4942 1 476 . 1 1 39 39 ASN CB C 13 43.47 0.2 . 1 . . . . . . . . . 4942 1 477 . 1 1 39 39 ASN N N 15 113.70 0.1 . 1 . . . . . . . . . 4942 1 478 . 1 1 39 39 ASN ND2 N 15 111.57 0.1 . 1 . . . . . . . . . 4942 1 479 . 1 1 40 40 THR H H 1 8.71 0.02 . 1 . . . . . . . . . 4942 1 480 . 1 1 40 40 THR HA H 1 4.25 0.02 . 1 . . . . . . . . . 4942 1 481 . 1 1 40 40 THR HB H 1 2.54 0.02 . 1 . . . . . . . . . 4942 1 482 . 1 1 40 40 THR HG21 H 1 0.75 0.02 . 1 . . . . . . . . . 4942 1 483 . 1 1 40 40 THR HG22 H 1 0.75 0.02 . 1 . . . . . . . . . 4942 1 484 . 1 1 40 40 THR HG23 H 1 0.75 0.02 . 1 . . . . . . . . . 4942 1 485 . 1 1 40 40 THR C C 13 172.12 0.2 . 1 . . . . . . . . . 4942 1 486 . 1 1 40 40 THR CA C 13 63.26 0.2 . 1 . . . . . . . . . 4942 1 487 . 1 1 40 40 THR CB C 13 68.45 0.2 . 1 . . . . . . . . . 4942 1 488 . 1 1 40 40 THR CG2 C 13 23.26 0.2 . 1 . . . . . . . . . 4942 1 489 . 1 1 40 40 THR N N 15 124.84 0.1 . 1 . . . . . . . . . 4942 1 490 . 1 1 41 41 PHE H H 1 9.18 0.02 . 1 . . . . . . . . . 4942 1 491 . 1 1 41 41 PHE HA H 1 4.75 0.02 . 1 . . . . . . . . . 4942 1 492 . 1 1 41 41 PHE HB2 H 1 3.07 0.02 . 2 . . . . . . . . . 4942 1 493 . 1 1 41 41 PHE HB3 H 1 2.58 0.02 . 2 . . . . . . . . . 4942 1 494 . 1 1 41 41 PHE HD1 H 1 7.07 0.02 . 2 . . . . . . . . . 4942 1 495 . 1 1 41 41 PHE HE1 H 1 7.00 0.02 . 1 . . . . . . . . . 4942 1 496 . 1 1 41 41 PHE HZ H 1 6.77 0.02 . 1 . . . . . . . . . 4942 1 497 . 1 1 41 41 PHE C C 13 173.44 0.2 . 1 . . . . . . . . . 4942 1 498 . 1 1 41 41 PHE CA C 13 57.19 0.2 . 1 . . . . . . . . . 4942 1 499 . 1 1 41 41 PHE CB C 13 39.17 0.2 . 1 . . . . . . . . . 4942 1 500 . 1 1 41 41 PHE CD1 C 13 131.21 0.2 . 1 . . . . . . . . . 4942 1 501 . 1 1 41 41 PHE CE1 C 13 129.26 0.2 . 1 . . . . . . . . . 4942 1 502 . 1 1 41 41 PHE CZ C 13 127.11 0.2 . 1 . . . . . . . . . 4942 1 503 . 1 1 41 41 PHE N N 15 128.97 0.1 . 1 . . . . . . . . . 4942 1 504 . 1 1 42 42 ILE H H 1 9.25 0.02 . 1 . . . . . . . . . 4942 1 505 . 1 1 42 42 ILE HA H 1 4.23 0.02 . 1 . . . . . . . . . 4942 1 506 . 1 1 42 42 ILE HB H 1 1.60 0.02 . 1 . . . . . . . . . 4942 1 507 . 1 1 42 42 ILE HG12 H 1 1.36 0.02 . 1 . . . . . . . . . 4942 1 508 . 1 1 42 42 ILE HG13 H 1 1.36 0.02 . 1 . . . . . . . . . 4942 1 509 . 1 1 42 42 ILE HG21 H 1 0.62 0.02 . 1 . . . . . . . . . 4942 1 510 . 1 1 42 42 ILE HG22 H 1 0.62 0.02 . 1 . . . . . . . . . 4942 1 511 . 1 1 42 42 ILE HG23 H 1 0.62 0.02 . 1 . . . . . . . . . 4942 1 512 . 1 1 42 42 ILE HD11 H 1 0.52 0.02 . 1 . . . . . . . . . 4942 1 513 . 1 1 42 42 ILE HD12 H 1 0.52 0.02 . 1 . . . . . . . . . 4942 1 514 . 1 1 42 42 ILE HD13 H 1 0.52 0.02 . 1 . . . . . . . . . 4942 1 515 . 1 1 42 42 ILE C C 13 174.58 0.2 . 1 . . . . . . . . . 4942 1 516 . 1 1 42 42 ILE CA C 13 59.64 0.2 . 1 . . . . . . . . . 4942 1 517 . 1 1 42 42 ILE CB C 13 39.23 0.2 . 1 . . . . . . . . . 4942 1 518 . 1 1 42 42 ILE CG1 C 13 26.10 0.2 . 1 . . . . . . . . . 4942 1 519 . 1 1 42 42 ILE CG2 C 13 17.97 0.2 . 1 . . . . . . . . . 4942 1 520 . 1 1 42 42 ILE CD1 C 13 14.85 0.2 . 1 . . . . . . . . . 4942 1 521 . 1 1 42 42 ILE N N 15 123.76 0.1 . 1 . . . . . . . . . 4942 1 522 . 1 1 43 43 ILE H H 1 8.70 0.02 . 1 . . . . . . . . . 4942 1 523 . 1 1 43 43 ILE HA H 1 4.86 0.02 . 1 . . . . . . . . . 4942 1 524 . 1 1 43 43 ILE HB H 1 1.86 0.02 . 1 . . . . . . . . . 4942 1 525 . 1 1 43 43 ILE HG12 H 1 1.25 0.02 . 2 . . . . . . . . . 4942 1 526 . 1 1 43 43 ILE HG13 H 1 1.00 0.02 . 2 . . . . . . . . . 4942 1 527 . 1 1 43 43 ILE HG21 H 1 0.67 0.02 . 1 . . . . . . . . . 4942 1 528 . 1 1 43 43 ILE HG22 H 1 0.67 0.02 . 1 . . . . . . . . . 4942 1 529 . 1 1 43 43 ILE HG23 H 1 0.67 0.02 . 1 . . . . . . . . . 4942 1 530 . 1 1 43 43 ILE HD11 H 1 0.69 0.02 . 1 . . . . . . . . . 4942 1 531 . 1 1 43 43 ILE HD12 H 1 0.69 0.02 . 1 . . . . . . . . . 4942 1 532 . 1 1 43 43 ILE HD13 H 1 0.69 0.02 . 1 . . . . . . . . . 4942 1 533 . 1 1 43 43 ILE C C 13 175.68 0.2 . 1 . . . . . . . . . 4942 1 534 . 1 1 43 43 ILE CA C 13 59.08 0.2 . 1 . . . . . . . . . 4942 1 535 . 1 1 43 43 ILE CB C 13 34.33 0.2 . 1 . . . . . . . . . 4942 1 536 . 1 1 43 43 ILE CG1 C 13 26.39 0.2 . 1 . . . . . . . . . 4942 1 537 . 1 1 43 43 ILE CG2 C 13 17.64 0.2 . 1 . . . . . . . . . 4942 1 538 . 1 1 43 43 ILE CD1 C 13 13.27 0.2 . 1 . . . . . . . . . 4942 1 539 . 1 1 43 43 ILE N N 15 129.05 0.1 . 1 . . . . . . . . . 4942 1 540 . 1 1 44 44 SER H H 1 8.02 0.02 . 1 . . . . . . . . . 4942 1 541 . 1 1 44 44 SER HA H 1 4.66 0.02 . 1 . . . . . . . . . 4942 1 542 . 1 1 44 44 SER HB2 H 1 4.16 0.02 . 2 . . . . . . . . . 4942 1 543 . 1 1 44 44 SER HB3 H 1 3.23 0.02 . 2 . . . . . . . . . 4942 1 544 . 1 1 44 44 SER C C 13 173.37 0.2 . 1 . . . . . . . . . 4942 1 545 . 1 1 44 44 SER CA C 13 56.14 0.2 . 1 . . . . . . . . . 4942 1 546 . 1 1 44 44 SER CB C 13 64.80 0.2 . 1 . . . . . . . . . 4942 1 547 . 1 1 44 44 SER N N 15 119.03 0.1 . 1 . . . . . . . . . 4942 1 548 . 1 1 45 45 SER H H 1 8.39 0.02 . 1 . . . . . . . . . 4942 1 549 . 1 1 45 45 SER HA H 1 4.65 0.02 . 1 . . . . . . . . . 4942 1 550 . 1 1 45 45 SER HB2 H 1 4.30 0.02 . 2 . . . . . . . . . 4942 1 551 . 1 1 45 45 SER HB3 H 1 4.09 0.02 . 2 . . . . . . . . . 4942 1 552 . 1 1 45 45 SER C C 13 177.25 0.2 . 1 . . . . . . . . . 4942 1 553 . 1 1 45 45 SER CA C 13 57.36 0.2 . 1 . . . . . . . . . 4942 1 554 . 1 1 45 45 SER CB C 13 63.32 0.2 . 1 . . . . . . . . . 4942 1 555 . 1 1 45 45 SER N N 15 116.89 0.1 . 1 . . . . . . . . . 4942 1 556 . 1 1 46 46 GLU H H 1 9.39 0.02 . 1 . . . . . . . . . 4942 1 557 . 1 1 46 46 GLU HA H 1 4.20 0.02 . 1 . . . . . . . . . 4942 1 558 . 1 1 46 46 GLU HB2 H 1 2.41 0.02 . 2 . . . . . . . . . 4942 1 559 . 1 1 46 46 GLU HB3 H 1 2.33 0.02 . 2 . . . . . . . . . 4942 1 560 . 1 1 46 46 GLU HG2 H 1 2.49 0.02 . 2 . . . . . . . . . 4942 1 561 . 1 1 46 46 GLU HG3 H 1 2.48 0.02 . 2 . . . . . . . . . 4942 1 562 . 1 1 46 46 GLU C C 13 178.37 0.2 . 1 . . . . . . . . . 4942 1 563 . 1 1 46 46 GLU CA C 13 59.53 0.2 . 1 . . . . . . . . . 4942 1 564 . 1 1 46 46 GLU CB C 13 28.89 0.2 . 1 . . . . . . . . . 4942 1 565 . 1 1 46 46 GLU CG C 13 35.14 0.2 . 1 . . . . . . . . . 4942 1 566 . 1 1 46 46 GLU N N 15 123.49 0.1 . 1 . . . . . . . . . 4942 1 567 . 1 1 47 47 ASP H H 1 8.70 0.02 . 1 . . . . . . . . . 4942 1 568 . 1 1 47 47 ASP HA H 1 4.35 0.02 . 1 . . . . . . . . . 4942 1 569 . 1 1 47 47 ASP HB2 H 1 2.71 0.02 . 2 . . . . . . . . . 4942 1 570 . 1 1 47 47 ASP HB3 H 1 2.59 0.02 . 2 . . . . . . . . . 4942 1 571 . 1 1 47 47 ASP C C 13 178.52 0.2 . 1 . . . . . . . . . 4942 1 572 . 1 1 47 47 ASP CA C 13 57.01 0.2 . 1 . . . . . . . . . 4942 1 573 . 1 1 47 47 ASP CB C 13 38.97 0.2 . 1 . . . . . . . . . 4942 1 574 . 1 1 47 47 ASP N N 15 119.09 0.1 . 1 . . . . . . . . . 4942 1 575 . 1 1 48 48 ASN H H 1 7.73 0.02 . 1 . . . . . . . . . 4942 1 576 . 1 1 48 48 ASN HA H 1 4.56 0.02 . 1 . . . . . . . . . 4942 1 577 . 1 1 48 48 ASN HB2 H 1 2.97 0.02 . 2 . . . . . . . . . 4942 1 578 . 1 1 48 48 ASN HB3 H 1 2.95 0.02 . 2 . . . . . . . . . 4942 1 579 . 1 1 48 48 ASN HD21 H 1 7.41 0.02 . 1 . . . . . . . . . 4942 1 580 . 1 1 48 48 ASN HD22 H 1 6.96 0.02 . 1 . . . . . . . . . 4942 1 581 . 1 1 48 48 ASN C C 13 176.72 0.2 . 1 . . . . . . . . . 4942 1 582 . 1 1 48 48 ASN CA C 13 54.99 0.2 . 1 . . . . . . . . . 4942 1 583 . 1 1 48 48 ASN CB C 13 37.54 0.2 . 1 . . . . . . . . . 4942 1 584 . 1 1 48 48 ASN N N 15 117.24 0.1 . 1 . . . . . . . . . 4942 1 585 . 1 1 48 48 ASN ND2 N 15 111.48 0.1 . 1 . . . . . . . . . 4942 1 586 . 1 1 49 49 VAL H H 1 7.39 0.02 . 1 . . . . . . . . . 4942 1 587 . 1 1 49 49 VAL HA H 1 3.89 0.02 . 1 . . . . . . . . . 4942 1 588 . 1 1 49 49 VAL HB H 1 2.37 0.02 . 1 . . . . . . . . . 4942 1 589 . 1 1 49 49 VAL HG11 H 1 1.09 0.02 . 1 . . . . . . . . . 4942 1 590 . 1 1 49 49 VAL HG12 H 1 1.09 0.02 . 1 . . . . . . . . . 4942 1 591 . 1 1 49 49 VAL HG13 H 1 1.09 0.02 . 1 . . . . . . . . . 4942 1 592 . 1 1 49 49 VAL HG21 H 1 0.99 0.02 . 2 . . . . . . . . . 4942 1 593 . 1 1 49 49 VAL HG22 H 1 0.99 0.02 . 2 . . . . . . . . . 4942 1 594 . 1 1 49 49 VAL HG23 H 1 0.99 0.02 . 2 . . . . . . . . . 4942 1 595 . 1 1 49 49 VAL C C 13 177.28 0.2 . 1 . . . . . . . . . 4942 1 596 . 1 1 49 49 VAL CA C 13 64.28 0.2 . 1 . . . . . . . . . 4942 1 597 . 1 1 49 49 VAL CB C 13 31.41 0.2 . 1 . . . . . . . . . 4942 1 598 . 1 1 49 49 VAL CG1 C 13 22.18 0.2 . 1 . . . . . . . . . 4942 1 599 . 1 1 49 49 VAL CG2 C 13 22.18 0.2 . 1 . . . . . . . . . 4942 1 600 . 1 1 49 49 VAL N N 15 118.05 0.1 . 1 . . . . . . . . . 4942 1 601 . 1 1 50 50 LYS H H 1 8.46 0.02 . 1 . . . . . . . . . 4942 1 602 . 1 1 50 50 LYS HA H 1 3.11 0.02 . 1 . . . . . . . . . 4942 1 603 . 1 1 50 50 LYS HB2 H 1 1.63 0.02 . 2 . . . . . . . . . 4942 1 604 . 1 1 50 50 LYS HB3 H 1 1.54 0.02 . 2 . . . . . . . . . 4942 1 605 . 1 1 50 50 LYS HG2 H 1 0.71 0.02 . 2 . . . . . . . . . 4942 1 606 . 1 1 50 50 LYS HG3 H 1 0.66 0.02 . 2 . . . . . . . . . 4942 1 607 . 1 1 50 50 LYS HD2 H 1 1.32 0.02 . 2 . . . . . . . . . 4942 1 608 . 1 1 50 50 LYS HD3 H 1 1.28 0.02 . 2 . . . . . . . . . 4942 1 609 . 1 1 50 50 LYS HE2 H 1 2.60 0.02 . 2 . . . . . . . . . 4942 1 610 . 1 1 50 50 LYS HE3 H 1 2.48 0.02 . 2 . . . . . . . . . 4942 1 611 . 1 1 50 50 LYS C C 13 178.42 0.2 . 1 . . . . . . . . . 4942 1 612 . 1 1 50 50 LYS CA C 13 59.23 0.2 . 1 . . . . . . . . . 4942 1 613 . 1 1 50 50 LYS CB C 13 31.72 0.2 . 1 . . . . . . . . . 4942 1 614 . 1 1 50 50 LYS CG C 13 24.22 0.2 . 1 . . . . . . . . . 4942 1 615 . 1 1 50 50 LYS CD C 13 28.59 0.2 . 1 . . . . . . . . . 4942 1 616 . 1 1 50 50 LYS CE C 13 41.10 0.2 . 1 . . . . . . . . . 4942 1 617 . 1 1 50 50 LYS N N 15 119.77 0.1 . 1 . . . . . . . . . 4942 1 618 . 1 1 51 51 ALA H H 1 7.38 0.02 . 1 . . . . . . . . . 4942 1 619 . 1 1 51 51 ALA HA H 1 4.10 0.02 . 1 . . . . . . . . . 4942 1 620 . 1 1 51 51 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . . 4942 1 621 . 1 1 51 51 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . . 4942 1 622 . 1 1 51 51 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . . 4942 1 623 . 1 1 51 51 ALA C C 13 179.06 0.2 . 1 . . . . . . . . . 4942 1 624 . 1 1 51 51 ALA CA C 13 53.30 0.2 . 1 . . . . . . . . . 4942 1 625 . 1 1 51 51 ALA CB C 13 18.00 0.2 . 1 . . . . . . . . . 4942 1 626 . 1 1 51 51 ALA N N 15 116.21 0.1 . 1 . . . . . . . . . 4942 1 627 . 1 1 52 52 ILE H H 1 7.66 0.02 . 1 . . . . . . . . . 4942 1 628 . 1 1 52 52 ILE HA H 1 3.75 0.02 . 1 . . . . . . . . . 4942 1 629 . 1 1 52 52 ILE HB H 1 1.61 0.02 . 1 . . . . . . . . . 4942 1 630 . 1 1 52 52 ILE HG12 H 1 2.14 0.02 . 2 . . . . . . . . . 4942 1 631 . 1 1 52 52 ILE HG13 H 1 1.20 0.02 . 2 . . . . . . . . . 4942 1 632 . 1 1 52 52 ILE HG21 H 1 0.74 0.02 . 1 . . . . . . . . . 4942 1 633 . 1 1 52 52 ILE HG22 H 1 0.74 0.02 . 1 . . . . . . . . . 4942 1 634 . 1 1 52 52 ILE HG23 H 1 0.74 0.02 . 1 . . . . . . . . . 4942 1 635 . 1 1 52 52 ILE HD11 H 1 0.94 0.02 . 1 . . . . . . . . . 4942 1 636 . 1 1 52 52 ILE HD12 H 1 0.94 0.02 . 1 . . . . . . . . . 4942 1 637 . 1 1 52 52 ILE HD13 H 1 0.94 0.02 . 1 . . . . . . . . . 4942 1 638 . 1 1 52 52 ILE C C 13 177.18 0.2 . 1 . . . . . . . . . 4942 1 639 . 1 1 52 52 ILE CA C 13 64.20 0.2 . 1 . . . . . . . . . 4942 1 640 . 1 1 52 52 ILE CB C 13 38.29 0.2 . 1 . . . . . . . . . 4942 1 641 . 1 1 52 52 ILE CG1 C 13 27.04 0.2 . 1 . . . . . . . . . 4942 1 642 . 1 1 52 52 ILE CG2 C 13 16.42 0.2 . 1 . . . . . . . . . 4942 1 643 . 1 1 52 52 ILE CD1 C 13 14.60 0.2 . 1 . . . . . . . . . 4942 1 644 . 1 1 52 52 ILE N N 15 118.33 0.1 . 1 . . . . . . . . . 4942 1 645 . 1 1 53 53 CYS H H 1 6.94 0.02 . 1 . . . . . . . . . 4942 1 646 . 1 1 53 53 CYS HA H 1 4.96 0.02 . 1 . . . . . . . . . 4942 1 647 . 1 1 53 53 CYS HB2 H 1 2.73 0.02 . 2 . . . . . . . . . 4942 1 648 . 1 1 53 53 CYS HB3 H 1 1.89 0.02 . 2 . . . . . . . . . 4942 1 649 . 1 1 53 53 CYS C C 13 174.75 0.2 . 1 . . . . . . . . . 4942 1 650 . 1 1 53 53 CYS CA C 13 52.41 0.2 . 1 . . . . . . . . . 4942 1 651 . 1 1 53 53 CYS CB C 13 38.06 0.2 . 1 . . . . . . . . . 4942 1 652 . 1 1 53 53 CYS N N 15 109.62 0.1 . 1 . . . . . . . . . 4942 1 653 . 1 1 54 54 SER H H 1 7.33 0.02 . 1 . . . . . . . . . 4942 1 654 . 1 1 54 54 SER HA H 1 4.10 0.02 . 1 . . . . . . . . . 4942 1 655 . 1 1 54 54 SER HB2 H 1 3.87 0.02 . 2 . . . . . . . . . 4942 1 656 . 1 1 54 54 SER HB3 H 1 3.83 0.02 . 2 . . . . . . . . . 4942 1 657 . 1 1 54 54 SER C C 13 175.97 0.2 . 1 . . . . . . . . . 4942 1 658 . 1 1 54 54 SER CA C 13 59.80 0.2 . 1 . . . . . . . . . 4942 1 659 . 1 1 54 54 SER CB C 13 62.05 0.2 . 1 . . . . . . . . . 4942 1 660 . 1 1 54 54 SER N N 15 116.79 0.1 . 1 . . . . . . . . . 4942 1 661 . 1 1 55 55 GLY H H 1 8.77 0.02 . 1 . . . . . . . . . 4942 1 662 . 1 1 55 55 GLY HA2 H 1 3.92 0.02 . 1 . . . . . . . . . 4942 1 663 . 1 1 55 55 GLY HA3 H 1 3.73 0.02 . 1 . . . . . . . . . 4942 1 664 . 1 1 55 55 GLY C C 13 174.19 0.2 . 1 . . . . . . . . . 4942 1 665 . 1 1 55 55 GLY CA C 13 44.99 0.2 . 1 . . . . . . . . . 4942 1 666 . 1 1 55 55 GLY N N 15 113.84 0.1 . 1 . . . . . . . . . 4942 1 667 . 1 1 56 56 VAL H H 1 7.41 0.02 . 1 . . . . . . . . . 4942 1 668 . 1 1 56 56 VAL HA H 1 3.69 0.02 . 1 . . . . . . . . . 4942 1 669 . 1 1 56 56 VAL HB H 1 1.96 0.02 . 1 . . . . . . . . . 4942 1 670 . 1 1 56 56 VAL HG11 H 1 0.81 0.02 . 1 . . . . . . . . . 4942 1 671 . 1 1 56 56 VAL HG12 H 1 0.81 0.02 . 1 . . . . . . . . . 4942 1 672 . 1 1 56 56 VAL HG13 H 1 0.81 0.02 . 1 . . . . . . . . . 4942 1 673 . 1 1 56 56 VAL HG21 H 1 0.71 0.02 . 2 . . . . . . . . . 4942 1 674 . 1 1 56 56 VAL HG22 H 1 0.71 0.02 . 2 . . . . . . . . . 4942 1 675 . 1 1 56 56 VAL HG23 H 1 0.71 0.02 . 2 . . . . . . . . . 4942 1 676 . 1 1 56 56 VAL C C 13 174.54 0.2 . 1 . . . . . . . . . 4942 1 677 . 1 1 56 56 VAL CA C 13 62.97 0.2 . 1 . . . . . . . . . 4942 1 678 . 1 1 56 56 VAL CB C 13 29.73 0.2 . 1 . . . . . . . . . 4942 1 679 . 1 1 56 56 VAL CG1 C 13 20.98 0.2 . 1 . . . . . . . . . 4942 1 680 . 1 1 56 56 VAL CG2 C 13 20.98 0.2 . 1 . . . . . . . . . 4942 1 681 . 1 1 56 56 VAL N N 15 121.51 0.1 . 1 . . . . . . . . . 4942 1 682 . 1 1 57 57 SER H H 1 7.85 0.02 . 1 . . . . . . . . . 4942 1 683 . 1 1 57 57 SER HA H 1 4.34 0.02 . 1 . . . . . . . . . 4942 1 684 . 1 1 57 57 SER HB2 H 1 3.57 0.02 . 1 . . . . . . . . . 4942 1 685 . 1 1 57 57 SER HB3 H 1 3.57 0.02 . 1 . . . . . . . . . 4942 1 686 . 1 1 57 57 SER C C 13 173.30 0.2 . 1 . . . . . . . . . 4942 1 687 . 1 1 57 57 SER CA C 13 55.53 0.2 . 1 . . . . . . . . . 4942 1 688 . 1 1 57 57 SER CB C 13 64.20 0.2 . 1 . . . . . . . . . 4942 1 689 . 1 1 57 57 SER N N 15 124.67 0.1 . 1 . . . . . . . . . 4942 1 690 . 1 1 58 58 PRO HA H 1 4.74 0.02 . 1 . . . . . . . . . 4942 1 691 . 1 1 58 58 PRO HB2 H 1 2.46 0.02 . 2 . . . . . . . . . 4942 1 692 . 1 1 58 58 PRO HB3 H 1 2.21 0.02 . 2 . . . . . . . . . 4942 1 693 . 1 1 58 58 PRO HG2 H 1 1.93 0.02 . 2 . . . . . . . . . 4942 1 694 . 1 1 58 58 PRO HG3 H 1 1.74 0.02 . 2 . . . . . . . . . 4942 1 695 . 1 1 58 58 PRO HD2 H 1 3.57 0.02 . 2 . . . . . . . . . 4942 1 696 . 1 1 58 58 PRO HD3 H 1 3.49 0.02 . 2 . . . . . . . . . 4942 1 697 . 1 1 58 58 PRO C C 13 174.73 0.2 . 1 . . . . . . . . . 4942 1 698 . 1 1 58 58 PRO CA C 13 62.07 0.2 . 1 . . . . . . . . . 4942 1 699 . 1 1 58 58 PRO CB C 13 33.90 0.2 . 1 . . . . . . . . . 4942 1 700 . 1 1 58 58 PRO CG C 13 23.90 0.2 . 1 . . . . . . . . . 4942 1 701 . 1 1 58 58 PRO CD C 13 49.56 0.2 . 1 . . . . . . . . . 4942 1 702 . 1 1 59 59 ASP H H 1 8.08 0.02 . 1 . . . . . . . . . 4942 1 703 . 1 1 59 59 ASP HA H 1 4.15 0.02 . 1 . . . . . . . . . 4942 1 704 . 1 1 59 59 ASP HB2 H 1 3.10 0.02 . 2 . . . . . . . . . 4942 1 705 . 1 1 59 59 ASP HB3 H 1 2.56 0.02 . 2 . . . . . . . . . 4942 1 706 . 1 1 59 59 ASP C C 13 175.60 0.2 . 1 . . . . . . . . . 4942 1 707 . 1 1 59 59 ASP CA C 13 55.56 0.2 . 1 . . . . . . . . . 4942 1 708 . 1 1 59 59 ASP CB C 13 40.43 0.2 . 1 . . . . . . . . . 4942 1 709 . 1 1 59 59 ASP N N 15 118.35 0.1 . 1 . . . . . . . . . 4942 1 710 . 1 1 60 60 ARG H H 1 7.38 0.02 . 1 . . . . . . . . . 4942 1 711 . 1 1 60 60 ARG HA H 1 4.54 0.02 . 1 . . . . . . . . . 4942 1 712 . 1 1 60 60 ARG HB2 H 1 1.70 0.02 . 2 . . . . . . . . . 4942 1 713 . 1 1 60 60 ARG HB3 H 1 1.64 0.02 . 2 . . . . . . . . . 4942 1 714 . 1 1 60 60 ARG HG2 H 1 1.90 0.02 . 2 . . . . . . . . . 4942 1 715 . 1 1 60 60 ARG HG3 H 1 1.61 0.02 . 2 . . . . . . . . . 4942 1 716 . 1 1 60 60 ARG HD2 H 1 3.12 0.02 . 2 . . . . . . . . . 4942 1 717 . 1 1 60 60 ARG HD3 H 1 3.08 0.02 . 2 . . . . . . . . . 4942 1 718 . 1 1 60 60 ARG HE H 1 7.20 0.02 . 1 . . . . . . . . . 4942 1 719 . 1 1 60 60 ARG C C 13 175.45 0.2 . 1 . . . . . . . . . 4942 1 720 . 1 1 60 60 ARG CA C 13 54.55 0.2 . 1 . . . . . . . . . 4942 1 721 . 1 1 60 60 ARG CB C 13 30.25 0.2 . 1 . . . . . . . . . 4942 1 722 . 1 1 60 60 ARG CG C 13 37.83 0.2 . 1 . . . . . . . . . 4942 1 723 . 1 1 60 60 ARG CD C 13 42.01 0.2 . 1 . . . . . . . . . 4942 1 724 . 1 1 60 60 ARG N N 15 114.33 0.1 . 1 . . . . . . . . . 4942 1 725 . 1 1 60 60 ARG NE N 15 87.03 0.1 . 1 . . . . . . . . . 4942 1 726 . 1 1 61 61 LYS H H 1 8.36 0.02 . 1 . . . . . . . . . 4942 1 727 . 1 1 61 61 LYS HA H 1 4.90 0.02 . 1 . . . . . . . . . 4942 1 728 . 1 1 61 61 LYS HB2 H 1 1.72 0.02 . 2 . . . . . . . . . 4942 1 729 . 1 1 61 61 LYS HB3 H 1 1.58 0.02 . 2 . . . . . . . . . 4942 1 730 . 1 1 61 61 LYS HG2 H 1 1.56 0.02 . 2 . . . . . . . . . 4942 1 731 . 1 1 61 61 LYS HG3 H 1 1.17 0.02 . 2 . . . . . . . . . 4942 1 732 . 1 1 61 61 LYS HD2 H 1 1.73 0.02 . 2 . . . . . . . . . 4942 1 733 . 1 1 61 61 LYS HD3 H 1 1.59 0.02 . 2 . . . . . . . . . 4942 1 734 . 1 1 61 61 LYS HE2 H 1 2.95 0.02 . 2 . . . . . . . . . 4942 1 735 . 1 1 61 61 LYS HE3 H 1 2.92 0.02 . 2 . . . . . . . . . 4942 1 736 . 1 1 61 61 LYS C C 13 174.90 0.2 . 1 . . . . . . . . . 4942 1 737 . 1 1 61 61 LYS CA C 13 56.44 0.2 . 1 . . . . . . . . . 4942 1 738 . 1 1 61 61 LYS CB C 13 32.15 0.2 . 1 . . . . . . . . . 4942 1 739 . 1 1 61 61 LYS CG C 13 25.27 0.2 . 1 . . . . . . . . . 4942 1 740 . 1 1 61 61 LYS CD C 13 29.65 0.2 . 1 . . . . . . . . . 4942 1 741 . 1 1 61 61 LYS CE C 13 40.90 0.2 . 1 . . . . . . . . . 4942 1 742 . 1 1 61 61 LYS N N 15 119.85 0.1 . 1 . . . . . . . . . 4942 1 743 . 1 1 62 62 GLU H H 1 9.22 0.02 . 1 . . . . . . . . . 4942 1 744 . 1 1 62 62 GLU HA H 1 4.73 0.02 . 1 . . . . . . . . . 4942 1 745 . 1 1 62 62 GLU HB2 H 1 1.73 0.02 . 2 . . . . . . . . . 4942 1 746 . 1 1 62 62 GLU HB3 H 1 1.70 0.02 . 2 . . . . . . . . . 4942 1 747 . 1 1 62 62 GLU HG2 H 1 2.39 0.02 . 2 . . . . . . . . . 4942 1 748 . 1 1 62 62 GLU HG3 H 1 2.05 0.02 . 2 . . . . . . . . . 4942 1 749 . 1 1 62 62 GLU C C 13 172.78 0.2 . 1 . . . . . . . . . 4942 1 750 . 1 1 62 62 GLU CA C 13 53.82 0.2 . 1 . . . . . . . . . 4942 1 751 . 1 1 62 62 GLU CB C 13 33.59 0.2 . 1 . . . . . . . . . 4942 1 752 . 1 1 62 62 GLU CG C 13 32.08 0.2 . 1 . . . . . . . . . 4942 1 753 . 1 1 62 62 GLU N N 15 125.55 0.1 . 1 . . . . . . . . . 4942 1 754 . 1 1 63 63 LEU H H 1 8.23 0.02 . 1 . . . . . . . . . 4942 1 755 . 1 1 63 63 LEU HA H 1 4.76 0.02 . 1 . . . . . . . . . 4942 1 756 . 1 1 63 63 LEU HB2 H 1 1.79 0.02 . 2 . . . . . . . . . 4942 1 757 . 1 1 63 63 LEU HB3 H 1 1.39 0.02 . 2 . . . . . . . . . 4942 1 758 . 1 1 63 63 LEU HG H 1 1.80 0.02 . 1 . . . . . . . . . 4942 1 759 . 1 1 63 63 LEU HD11 H 1 0.84 0.02 . 2 . . . . . . . . . 4942 1 760 . 1 1 63 63 LEU HD12 H 1 0.84 0.02 . 2 . . . . . . . . . 4942 1 761 . 1 1 63 63 LEU HD13 H 1 0.84 0.02 . 2 . . . . . . . . . 4942 1 762 . 1 1 63 63 LEU HD21 H 1 0.45 0.02 . 2 . . . . . . . . . 4942 1 763 . 1 1 63 63 LEU HD22 H 1 0.45 0.02 . 2 . . . . . . . . . 4942 1 764 . 1 1 63 63 LEU HD23 H 1 0.45 0.02 . 2 . . . . . . . . . 4942 1 765 . 1 1 63 63 LEU C C 13 176.77 0.2 . 1 . . . . . . . . . 4942 1 766 . 1 1 63 63 LEU CA C 13 52.32 0.2 . 1 . . . . . . . . . 4942 1 767 . 1 1 63 63 LEU CB C 13 42.36 0.2 . 1 . . . . . . . . . 4942 1 768 . 1 1 63 63 LEU CG C 13 25.32 0.2 . 1 . . . . . . . . . 4942 1 769 . 1 1 63 63 LEU CD1 C 13 25.55 0.2 . 1 . . . . . . . . . 4942 1 770 . 1 1 63 63 LEU CD2 C 13 22.36 0.2 . 1 . . . . . . . . . 4942 1 771 . 1 1 63 63 LEU N N 15 128.94 0.1 . 1 . . . . . . . . . 4942 1 772 . 1 1 64 64 SER H H 1 9.46 0.02 . 1 . . . . . . . . . 4942 1 773 . 1 1 64 64 SER HA H 1 4.44 0.02 . 1 . . . . . . . . . 4942 1 774 . 1 1 64 64 SER HB2 H 1 4.81 0.02 . 2 . . . . . . . . . 4942 1 775 . 1 1 64 64 SER HB3 H 1 4.19 0.02 . 2 . . . . . . . . . 4942 1 776 . 1 1 64 64 SER C C 13 173.25 0.2 . 1 . . . . . . . . . 4942 1 777 . 1 1 64 64 SER CA C 13 58.56 0.2 . 1 . . . . . . . . . 4942 1 778 . 1 1 64 64 SER CB C 13 64.23 0.2 . 1 . . . . . . . . . 4942 1 779 . 1 1 64 64 SER N N 15 123.64 0.1 . 1 . . . . . . . . . 4942 1 780 . 1 1 65 65 THR H H 1 8.81 0.02 . 1 . . . . . . . . . 4942 1 781 . 1 1 65 65 THR HA H 1 4.27 0.02 . 1 . . . . . . . . . 4942 1 782 . 1 1 65 65 THR HB H 1 4.30 0.02 . 1 . . . . . . . . . 4942 1 783 . 1 1 65 65 THR HG21 H 1 1.31 0.02 . 1 . . . . . . . . . 4942 1 784 . 1 1 65 65 THR HG22 H 1 1.31 0.02 . 1 . . . . . . . . . 4942 1 785 . 1 1 65 65 THR HG23 H 1 1.31 0.02 . 1 . . . . . . . . . 4942 1 786 . 1 1 65 65 THR C C 13 175.68 0.2 . 1 . . . . . . . . . 4942 1 787 . 1 1 65 65 THR CA C 13 62.67 0.2 . 1 . . . . . . . . . 4942 1 788 . 1 1 65 65 THR CB C 13 68.34 0.2 . 1 . . . . . . . . . 4942 1 789 . 1 1 65 65 THR CG2 C 13 22.04 0.2 . 1 . . . . . . . . . 4942 1 790 . 1 1 65 65 THR N N 15 112.31 0.1 . 1 . . . . . . . . . 4942 1 791 . 1 1 66 66 THR H H 1 7.46 0.02 . 1 . . . . . . . . . 4942 1 792 . 1 1 66 66 THR HA H 1 4.37 0.02 . 1 . . . . . . . . . 4942 1 793 . 1 1 66 66 THR HB H 1 3.93 0.02 . 1 . . . . . . . . . 4942 1 794 . 1 1 66 66 THR HG21 H 1 1.41 0.02 . 1 . . . . . . . . . 4942 1 795 . 1 1 66 66 THR HG22 H 1 1.41 0.02 . 1 . . . . . . . . . 4942 1 796 . 1 1 66 66 THR HG23 H 1 1.41 0.02 . 1 . . . . . . . . . 4942 1 797 . 1 1 66 66 THR C C 13 172.90 0.2 . 1 . . . . . . . . . 4942 1 798 . 1 1 66 66 THR CA C 13 59.12 0.2 . 1 . . . . . . . . . 4942 1 799 . 1 1 66 66 THR CB C 13 69.96 0.2 . 1 . . . . . . . . . 4942 1 800 . 1 1 66 66 THR CG2 C 13 20.93 0.2 . 1 . . . . . . . . . 4942 1 801 . 1 1 66 66 THR N N 15 112.15 0.1 . 1 . . . . . . . . . 4942 1 802 . 1 1 67 67 SER H H 1 8.28 0.02 . 1 . . . . . . . . . 4942 1 803 . 1 1 67 67 SER HA H 1 4.21 0.02 . 1 . . . . . . . . . 4942 1 804 . 1 1 67 67 SER HB2 H 1 3.54 0.02 . 1 . . . . . . . . . 4942 1 805 . 1 1 67 67 SER HB3 H 1 3.54 0.02 . 1 . . . . . . . . . 4942 1 806 . 1 1 67 67 SER C C 13 172.93 0.2 . 1 . . . . . . . . . 4942 1 807 . 1 1 67 67 SER CA C 13 57.01 0.2 . 1 . . . . . . . . . 4942 1 808 . 1 1 67 67 SER CB C 13 63.46 0.2 . 1 . . . . . . . . . 4942 1 809 . 1 1 67 67 SER N N 15 117.11 0.1 . 1 . . . . . . . . . 4942 1 810 . 1 1 68 68 PHE H H 1 8.55 0.02 . 1 . . . . . . . . . 4942 1 811 . 1 1 68 68 PHE HA H 1 4.52 0.02 . 1 . . . . . . . . . 4942 1 812 . 1 1 68 68 PHE HB2 H 1 3.02 0.02 . 2 . . . . . . . . . 4942 1 813 . 1 1 68 68 PHE HB3 H 1 2.65 0.02 . 2 . . . . . . . . . 4942 1 814 . 1 1 68 68 PHE HD1 H 1 7.32 0.02 . 2 . . . . . . . . . 4942 1 815 . 1 1 68 68 PHE HE1 H 1 7.27 0.02 . 1 . . . . . . . . . 4942 1 816 . 1 1 68 68 PHE HZ H 1 7.42 0.02 . 1 . . . . . . . . . 4942 1 817 . 1 1 68 68 PHE C C 13 174.29 0.2 . 1 . . . . . . . . . 4942 1 818 . 1 1 68 68 PHE CA C 13 56.78 0.2 . 1 . . . . . . . . . 4942 1 819 . 1 1 68 68 PHE CB C 13 42.88 0.2 . 1 . . . . . . . . . 4942 1 820 . 1 1 68 68 PHE CD1 C 13 131.24 0.2 . 1 . . . . . . . . . 4942 1 821 . 1 1 68 68 PHE CE1 C 13 128.55 0.2 . 1 . . . . . . . . . 4942 1 822 . 1 1 68 68 PHE CZ C 13 130.69 0.2 . 1 . . . . . . . . . 4942 1 823 . 1 1 68 68 PHE N N 15 122.68 0.1 . 1 . . . . . . . . . 4942 1 824 . 1 1 69 69 LYS H H 1 9.01 0.02 . 1 . . . . . . . . . 4942 1 825 . 1 1 69 69 LYS HA H 1 4.46 0.02 . 1 . . . . . . . . . 4942 1 826 . 1 1 69 69 LYS HB2 H 1 1.99 0.02 . 1 . . . . . . . . . 4942 1 827 . 1 1 69 69 LYS HB3 H 1 1.99 0.02 . 1 . . . . . . . . . 4942 1 828 . 1 1 69 69 LYS HG2 H 1 1.67 0.02 . 2 . . . . . . . . . 4942 1 829 . 1 1 69 69 LYS HG3 H 1 1.53 0.02 . 2 . . . . . . . . . 4942 1 830 . 1 1 69 69 LYS HD2 H 1 1.76 0.02 . 1 . . . . . . . . . 4942 1 831 . 1 1 69 69 LYS HD3 H 1 1.76 0.02 . 1 . . . . . . . . . 4942 1 832 . 1 1 69 69 LYS HE2 H 1 3.05 0.02 . 1 . . . . . . . . . 4942 1 833 . 1 1 69 69 LYS HE3 H 1 3.05 0.02 . 1 . . . . . . . . . 4942 1 834 . 1 1 69 69 LYS C C 13 174.95 0.2 . 1 . . . . . . . . . 4942 1 835 . 1 1 69 69 LYS CA C 13 56.95 0.2 . 1 . . . . . . . . . 4942 1 836 . 1 1 69 69 LYS CB C 13 32.00 0.2 . 1 . . . . . . . . . 4942 1 837 . 1 1 69 69 LYS CG C 13 24.50 0.2 . 1 . . . . . . . . . 4942 1 838 . 1 1 69 69 LYS CD C 13 28.25 0.2 . 1 . . . . . . . . . 4942 1 839 . 1 1 69 69 LYS CE C 13 41.37 0.2 . 1 . . . . . . . . . 4942 1 840 . 1 1 69 69 LYS N N 15 121.71 0.1 . 1 . . . . . . . . . 4942 1 841 . 1 1 70 70 LEU H H 1 8.56 0.02 . 1 . . . . . . . . . 4942 1 842 . 1 1 70 70 LEU HA H 1 5.55 0.02 . 1 . . . . . . . . . 4942 1 843 . 1 1 70 70 LEU HB2 H 1 1.51 0.02 . 2 . . . . . . . . . 4942 1 844 . 1 1 70 70 LEU HB3 H 1 1.28 0.02 . 2 . . . . . . . . . 4942 1 845 . 1 1 70 70 LEU HG H 1 1.95 0.02 . 1 . . . . . . . . . 4942 1 846 . 1 1 70 70 LEU HD11 H 1 0.79 0.02 . 1 . . . . . . . . . 4942 1 847 . 1 1 70 70 LEU HD12 H 1 0.79 0.02 . 1 . . . . . . . . . 4942 1 848 . 1 1 70 70 LEU HD13 H 1 0.79 0.02 . 1 . . . . . . . . . 4942 1 849 . 1 1 70 70 LEU HD21 H 1 0.79 0.02 . 1 . . . . . . . . . 4942 1 850 . 1 1 70 70 LEU HD22 H 1 0.79 0.02 . 1 . . . . . . . . . 4942 1 851 . 1 1 70 70 LEU HD23 H 1 0.79 0.02 . 1 . . . . . . . . . 4942 1 852 . 1 1 70 70 LEU C C 13 178.55 0.2 . 1 . . . . . . . . . 4942 1 853 . 1 1 70 70 LEU CA C 13 52.05 0.2 . 1 . . . . . . . . . 4942 1 854 . 1 1 70 70 LEU CB C 13 46.43 0.2 . 1 . . . . . . . . . 4942 1 855 . 1 1 70 70 LEU CG C 13 25.12 0.2 . 1 . . . . . . . . . 4942 1 856 . 1 1 70 70 LEU CD1 C 13 26.26 0.2 . 1 . . . . . . . . . 4942 1 857 . 1 1 70 70 LEU CD2 C 13 24.43 0.2 . 1 . . . . . . . . . 4942 1 858 . 1 1 70 70 LEU N N 15 123.07 0.1 . 1 . . . . . . . . . 4942 1 859 . 1 1 71 71 ASN H H 1 8.92 0.02 . 1 . . . . . . . . . 4942 1 860 . 1 1 71 71 ASN HA H 1 4.83 0.02 . 1 . . . . . . . . . 4942 1 861 . 1 1 71 71 ASN HB2 H 1 2.67 0.02 . 2 . . . . . . . . . 4942 1 862 . 1 1 71 71 ASN HB3 H 1 2.58 0.02 . 2 . . . . . . . . . 4942 1 863 . 1 1 71 71 ASN HD21 H 1 6.67 0.02 . 1 . . . . . . . . . 4942 1 864 . 1 1 71 71 ASN HD22 H 1 6.00 0.02 . 1 . . . . . . . . . 4942 1 865 . 1 1 71 71 ASN C C 13 175.01 0.2 . 1 . . . . . . . . . 4942 1 866 . 1 1 71 71 ASN CA C 13 53.39 0.2 . 1 . . . . . . . . . 4942 1 867 . 1 1 71 71 ASN CB C 13 40.17 0.2 . 1 . . . . . . . . . 4942 1 868 . 1 1 71 71 ASN N N 15 118.80 0.1 . 1 . . . . . . . . . 4942 1 869 . 1 1 71 71 ASN ND2 N 15 104.46 0.1 . 1 . . . . . . . . . 4942 1 870 . 1 1 72 72 THR H H 1 8.15 0.02 . 1 . . . . . . . . . 4942 1 871 . 1 1 72 72 THR HA H 1 5.02 0.02 . 1 . . . . . . . . . 4942 1 872 . 1 1 72 72 THR HB H 1 4.02 0.02 . 1 . . . . . . . . . 4942 1 873 . 1 1 72 72 THR HG21 H 1 0.92 0.02 . 1 . . . . . . . . . 4942 1 874 . 1 1 72 72 THR HG22 H 1 0.92 0.02 . 1 . . . . . . . . . 4942 1 875 . 1 1 72 72 THR HG23 H 1 0.92 0.02 . 1 . . . . . . . . . 4942 1 876 . 1 1 72 72 THR C C 13 172.83 0.2 . 1 . . . . . . . . . 4942 1 877 . 1 1 72 72 THR CA C 13 61.02 0.2 . 1 . . . . . . . . . 4942 1 878 . 1 1 72 72 THR CB C 13 68.43 0.2 . 1 . . . . . . . . . 4942 1 879 . 1 1 72 72 THR CG2 C 13 20.40 0.2 . 1 . . . . . . . . . 4942 1 880 . 1 1 72 72 THR N N 15 125.44 0.1 . 1 . . . . . . . . . 4942 1 881 . 1 1 73 73 CYS H H 1 8.17 0.02 . 1 . . . . . . . . . 4942 1 882 . 1 1 73 73 CYS HA H 1 5.04 0.02 . 1 . . . . . . . . . 4942 1 883 . 1 1 73 73 CYS HB2 H 1 2.75 0.02 . 2 . . . . . . . . . 4942 1 884 . 1 1 73 73 CYS HB3 H 1 2.40 0.02 . 2 . . . . . . . . . 4942 1 885 . 1 1 73 73 CYS C C 13 174.12 0.2 . 1 . . . . . . . . . 4942 1 886 . 1 1 73 73 CYS CA C 13 52.68 0.2 . 1 . . . . . . . . . 4942 1 887 . 1 1 73 73 CYS CB C 13 36.98 0.2 . 1 . . . . . . . . . 4942 1 888 . 1 1 73 73 CYS N N 15 124.27 0.1 . 1 . . . . . . . . . 4942 1 889 . 1 1 74 74 ILE H H 1 9.12 0.02 . 1 . . . . . . . . . 4942 1 890 . 1 1 74 74 ILE HA H 1 4.28 0.02 . 1 . . . . . . . . . 4942 1 891 . 1 1 74 74 ILE HB H 1 0.59 0.02 . 1 . . . . . . . . . 4942 1 892 . 1 1 74 74 ILE HG12 H 1 1.45 0.02 . 2 . . . . . . . . . 4942 1 893 . 1 1 74 74 ILE HG13 H 1 0.66 0.02 . 2 . . . . . . . . . 4942 1 894 . 1 1 74 74 ILE HG21 H 1 0.86 0.02 . 1 . . . . . . . . . 4942 1 895 . 1 1 74 74 ILE HG22 H 1 0.86 0.02 . 1 . . . . . . . . . 4942 1 896 . 1 1 74 74 ILE HG23 H 1 0.86 0.02 . 1 . . . . . . . . . 4942 1 897 . 1 1 74 74 ILE HD11 H 1 0.83 0.02 . 1 . . . . . . . . . 4942 1 898 . 1 1 74 74 ILE HD12 H 1 0.83 0.02 . 1 . . . . . . . . . 4942 1 899 . 1 1 74 74 ILE HD13 H 1 0.83 0.02 . 1 . . . . . . . . . 4942 1 900 . 1 1 74 74 ILE C C 13 174.27 0.2 . 1 . . . . . . . . . 4942 1 901 . 1 1 74 74 ILE CA C 13 60.48 0.2 . 1 . . . . . . . . . 4942 1 902 . 1 1 74 74 ILE CB C 13 38.92 0.2 . 1 . . . . . . . . . 4942 1 903 . 1 1 74 74 ILE CG1 C 13 27.04 0.2 . 1 . . . . . . . . . 4942 1 904 . 1 1 74 74 ILE CG2 C 13 16.42 0.2 . 1 . . . . . . . . . 4942 1 905 . 1 1 74 74 ILE CD1 C 13 13.29 0.2 . 1 . . . . . . . . . 4942 1 906 . 1 1 74 74 ILE N N 15 125.81 0.1 . 1 . . . . . . . . . 4942 1 907 . 1 1 75 75 ARG H H 1 8.89 0.02 . 1 . . . . . . . . . 4942 1 908 . 1 1 75 75 ARG HA H 1 3.20 0.02 . 1 . . . . . . . . . 4942 1 909 . 1 1 75 75 ARG HB2 H 1 1.75 0.02 . 2 . . . . . . . . . 4942 1 910 . 1 1 75 75 ARG HB3 H 1 1.72 0.02 . 2 . . . . . . . . . 4942 1 911 . 1 1 75 75 ARG HG2 H 1 1.04 0.02 . 2 . . . . . . . . . 4942 1 912 . 1 1 75 75 ARG HG3 H 1 1.02 0.02 . 2 . . . . . . . . . 4942 1 913 . 1 1 75 75 ARG HD2 H 1 3.04 0.02 . 2 . . . . . . . . . 4942 1 914 . 1 1 75 75 ARG HD3 H 1 2.68 0.02 . 2 . . . . . . . . . 4942 1 915 . 1 1 75 75 ARG HE H 1 7.27 0.02 . 1 . . . . . . . . . 4942 1 916 . 1 1 75 75 ARG C C 13 176.77 0.2 . 1 . . . . . . . . . 4942 1 917 . 1 1 75 75 ARG CA C 13 56.15 0.2 . 1 . . . . . . . . . 4942 1 918 . 1 1 75 75 ARG CB C 13 31.63 0.2 . 1 . . . . . . . . . 4942 1 919 . 1 1 75 75 ARG CG C 13 25.38 0.2 . 1 . . . . . . . . . 4942 1 920 . 1 1 75 75 ARG CD C 13 44.76 0.2 . 1 . . . . . . . . . 4942 1 921 . 1 1 75 75 ARG N N 15 129.78 0.1 . 1 . . . . . . . . . 4942 1 922 . 1 1 75 75 ARG NE N 15 84.99 0.1 . 1 . . . . . . . . . 4942 1 923 . 1 1 76 76 ASP H H 1 9.31 0.02 . 1 . . . . . . . . . 4942 1 924 . 1 1 76 76 ASP HA H 1 4.76 0.02 . 1 . . . . . . . . . 4942 1 925 . 1 1 76 76 ASP HB2 H 1 2.65 0.02 . 2 . . . . . . . . . 4942 1 926 . 1 1 76 76 ASP HB3 H 1 2.24 0.02 . 2 . . . . . . . . . 4942 1 927 . 1 1 76 76 ASP C C 13 176.53 0.2 . 1 . . . . . . . . . 4942 1 928 . 1 1 76 76 ASP CA C 13 55.48 0.2 . 1 . . . . . . . . . 4942 1 929 . 1 1 76 76 ASP CB C 13 41.15 0.2 . 1 . . . . . . . . . 4942 1 930 . 1 1 76 76 ASP N N 15 127.82 0.1 . 1 . . . . . . . . . 4942 1 931 . 1 1 77 77 SER H H 1 7.05 0.02 . 1 . . . . . . . . . 4942 1 932 . 1 1 77 77 SER HA H 1 4.37 0.02 . 1 . . . . . . . . . 4942 1 933 . 1 1 77 77 SER HB2 H 1 3.61 0.02 . 1 . . . . . . . . . 4942 1 934 . 1 1 77 77 SER HB3 H 1 3.61 0.02 . 1 . . . . . . . . . 4942 1 935 . 1 1 77 77 SER C C 13 171.31 0.2 . 1 . . . . . . . . . 4942 1 936 . 1 1 77 77 SER CA C 13 56.74 0.2 . 1 . . . . . . . . . 4942 1 937 . 1 1 77 77 SER CB C 13 64.22 0.2 . 1 . . . . . . . . . 4942 1 938 . 1 1 77 77 SER N N 15 111.57 0.1 . 1 . . . . . . . . . 4942 1 939 . 1 1 78 78 ILE H H 1 8.16 0.02 . 1 . . . . . . . . . 4942 1 940 . 1 1 78 78 ILE HA H 1 3.99 0.02 . 1 . . . . . . . . . 4942 1 941 . 1 1 78 78 ILE HB H 1 1.71 0.02 . 1 . . . . . . . . . 4942 1 942 . 1 1 78 78 ILE HG12 H 1 1.56 0.02 . 2 . . . . . . . . . 4942 1 943 . 1 1 78 78 ILE HG13 H 1 0.70 0.02 . 2 . . . . . . . . . 4942 1 944 . 1 1 78 78 ILE HG21 H 1 0.86 0.02 . 1 . . . . . . . . . 4942 1 945 . 1 1 78 78 ILE HG22 H 1 0.86 0.02 . 1 . . . . . . . . . 4942 1 946 . 1 1 78 78 ILE HG23 H 1 0.86 0.02 . 1 . . . . . . . . . 4942 1 947 . 1 1 78 78 ILE HD11 H 1 0.88 0.02 . 1 . . . . . . . . . 4942 1 948 . 1 1 78 78 ILE HD12 H 1 0.88 0.02 . 1 . . . . . . . . . 4942 1 949 . 1 1 78 78 ILE HD13 H 1 0.88 0.02 . 1 . . . . . . . . . 4942 1 950 . 1 1 78 78 ILE C C 13 174.85 0.2 . 1 . . . . . . . . . 4942 1 951 . 1 1 78 78 ILE CA C 13 61.61 0.2 . 1 . . . . . . . . . 4942 1 952 . 1 1 78 78 ILE CB C 13 36.99 0.2 . 1 . . . . . . . . . 4942 1 953 . 1 1 78 78 ILE CG1 C 13 26.99 0.2 . 1 . . . . . . . . . 4942 1 954 . 1 1 78 78 ILE CG2 C 13 16.99 0.2 . 1 . . . . . . . . . 4942 1 955 . 1 1 78 78 ILE CD1 C 13 13.24 0.2 . 1 . . . . . . . . . 4942 1 956 . 1 1 78 78 ILE N N 15 119.97 0.1 . 1 . . . . . . . . . 4942 1 957 . 1 1 79 79 THR H H 1 7.66 0.02 . 1 . . . . . . . . . 4942 1 958 . 1 1 79 79 THR HA H 1 4.37 0.02 . 1 . . . . . . . . . 4942 1 959 . 1 1 79 79 THR HB H 1 3.93 0.02 . 1 . . . . . . . . . 4942 1 960 . 1 1 79 79 THR HG21 H 1 0.89 0.02 . 1 . . . . . . . . . 4942 1 961 . 1 1 79 79 THR HG22 H 1 0.89 0.02 . 1 . . . . . . . . . 4942 1 962 . 1 1 79 79 THR HG23 H 1 0.89 0.02 . 1 . . . . . . . . . 4942 1 963 . 1 1 79 79 THR C C 13 171.56 0.2 . 1 . . . . . . . . . 4942 1 964 . 1 1 79 79 THR CA C 13 59.23 0.2 . 1 . . . . . . . . . 4942 1 965 . 1 1 79 79 THR CB C 13 68.51 0.2 . 1 . . . . . . . . . 4942 1 966 . 1 1 79 79 THR CG2 C 13 19.75 0.2 . 1 . . . . . . . . . 4942 1 967 . 1 1 79 79 THR N N 15 122.39 0.1 . 1 . . . . . . . . . 4942 1 968 . 1 1 80 80 PRO HA H 1 4.46 0.02 . 1 . . . . . . . . . 4942 1 969 . 1 1 80 80 PRO HB2 H 1 2.33 0.02 . 2 . . . . . . . . . 4942 1 970 . 1 1 80 80 PRO HB3 H 1 1.70 0.02 . 2 . . . . . . . . . 4942 1 971 . 1 1 80 80 PRO HG2 H 1 2.04 0.02 . 2 . . . . . . . . . 4942 1 972 . 1 1 80 80 PRO HG3 H 1 1.90 0.02 . 2 . . . . . . . . . 4942 1 973 . 1 1 80 80 PRO HD2 H 1 3.70 0.02 . 2 . . . . . . . . . 4942 1 974 . 1 1 80 80 PRO HD3 H 1 3.57 0.02 . 2 . . . . . . . . . 4942 1 975 . 1 1 80 80 PRO C C 13 177.15 0.2 . 1 . . . . . . . . . 4942 1 976 . 1 1 80 80 PRO CA C 13 62.38 0.2 . 1 . . . . . . . . . 4942 1 977 . 1 1 80 80 PRO CB C 13 30.38 0.2 . 1 . . . . . . . . . 4942 1 978 . 1 1 80 80 PRO CG C 13 27.88 0.2 . 1 . . . . . . . . . 4942 1 979 . 1 1 80 80 PRO CD C 13 49.88 0.2 . 1 . . . . . . . . . 4942 1 980 . 1 1 81 81 ARG H H 1 8.47 0.02 . 1 . . . . . . . . . 4942 1 981 . 1 1 81 81 ARG HA H 1 4.13 0.02 . 1 . . . . . . . . . 4942 1 982 . 1 1 81 81 ARG HB2 H 1 1.92 0.02 . 2 . . . . . . . . . 4942 1 983 . 1 1 81 81 ARG HB3 H 1 1.75 0.02 . 2 . . . . . . . . . 4942 1 984 . 1 1 81 81 ARG HG2 H 1 1.91 0.02 . 2 . . . . . . . . . 4942 1 985 . 1 1 81 81 ARG HG3 H 1 1.67 0.02 . 2 . . . . . . . . . 4942 1 986 . 1 1 81 81 ARG HD2 H 1 3.13 0.02 . 1 . . . . . . . . . 4942 1 987 . 1 1 81 81 ARG HD3 H 1 3.13 0.02 . 1 . . . . . . . . . 4942 1 988 . 1 1 81 81 ARG HE H 1 7.95 0.02 . 1 . . . . . . . . . 4942 1 989 . 1 1 81 81 ARG C C 13 174.58 0.2 . 1 . . . . . . . . . 4942 1 990 . 1 1 81 81 ARG CA C 13 55.18 0.2 . 1 . . . . . . . . . 4942 1 991 . 1 1 81 81 ARG CB C 13 29.59 0.2 . 1 . . . . . . . . . 4942 1 992 . 1 1 81 81 ARG CG C 13 25.77 0.2 . 1 . . . . . . . . . 4942 1 993 . 1 1 81 81 ARG CD C 13 43.64 0.2 . 1 . . . . . . . . . 4942 1 994 . 1 1 81 81 ARG N N 15 124.43 0.1 . 1 . . . . . . . . . 4942 1 995 . 1 1 81 81 ARG NE N 15 84.63 0.1 . 1 . . . . . . . . . 4942 1 996 . 1 1 82 82 PRO HA H 1 4.67 0.02 . 1 . . . . . . . . . 4942 1 997 . 1 1 82 82 PRO HB2 H 1 2.19 0.02 . 1 . . . . . . . . . 4942 1 998 . 1 1 82 82 PRO HB3 H 1 2.19 0.02 . 1 . . . . . . . . . 4942 1 999 . 1 1 82 82 PRO HG2 H 1 2.03 0.02 . 2 . . . . . . . . . 4942 1 1000 . 1 1 82 82 PRO HG3 H 1 1.90 0.02 . 2 . . . . . . . . . 4942 1 1001 . 1 1 82 82 PRO HD2 H 1 3.59 0.02 . 2 . . . . . . . . . 4942 1 1002 . 1 1 82 82 PRO HD3 H 1 3.46 0.02 . 2 . . . . . . . . . 4942 1 1003 . 1 1 82 82 PRO C C 13 175.43 0.2 . 1 . . . . . . . . . 4942 1 1004 . 1 1 82 82 PRO CA C 13 61.06 0.2 . 1 . . . . . . . . . 4942 1 1005 . 1 1 82 82 PRO CB C 13 33.34 0.2 . 1 . . . . . . . . . 4942 1 1006 . 1 1 82 82 PRO CG C 13 23.97 0.2 . 1 . . . . . . . . . 4942 1 1007 . 1 1 82 82 PRO CD C 13 49.81 0.2 . 1 . . . . . . . . . 4942 1 1008 . 1 1 83 83 CYS H H 1 8.91 0.02 . 1 . . . . . . . . . 4942 1 1009 . 1 1 83 83 CYS HA H 1 4.92 0.02 . 1 . . . . . . . . . 4942 1 1010 . 1 1 83 83 CYS HB2 H 1 3.34 0.02 . 2 . . . . . . . . . 4942 1 1011 . 1 1 83 83 CYS HB3 H 1 2.92 0.02 . 2 . . . . . . . . . 4942 1 1012 . 1 1 83 83 CYS C C 13 172.23 0.2 . 1 . . . . . . . . . 4942 1 1013 . 1 1 83 83 CYS CA C 13 52.67 0.2 . 1 . . . . . . . . . 4942 1 1014 . 1 1 83 83 CYS CB C 13 40.81 0.2 . 1 . . . . . . . . . 4942 1 1015 . 1 1 83 83 CYS N N 15 122.47 0.1 . 1 . . . . . . . . . 4942 1 1016 . 1 1 84 84 PRO HA H 1 4.88 0.02 . 1 . . . . . . . . . 4942 1 1017 . 1 1 84 84 PRO HB2 H 1 2.12 0.02 . 1 . . . . . . . . . 4942 1 1018 . 1 1 84 84 PRO HB3 H 1 2.12 0.02 . 1 . . . . . . . . . 4942 1 1019 . 1 1 84 84 PRO HG2 H 1 2.10 0.02 . 2 . . . . . . . . . 4942 1 1020 . 1 1 84 84 PRO HG3 H 1 2.04 0.02 . 2 . . . . . . . . . 4942 1 1021 . 1 1 84 84 PRO HD2 H 1 3.83 0.02 . 2 . . . . . . . . . 4942 1 1022 . 1 1 84 84 PRO HD3 H 1 3.73 0.02 . 2 . . . . . . . . . 4942 1 1023 . 1 1 84 84 PRO C C 13 176.02 0.2 . 1 . . . . . . . . . 4942 1 1024 . 1 1 84 84 PRO CA C 13 61.03 0.2 . 1 . . . . . . . . . 4942 1 1025 . 1 1 84 84 PRO CB C 13 30.58 0.2 . 1 . . . . . . . . . 4942 1 1026 . 1 1 84 84 PRO CG C 13 26.83 0.2 . 1 . . . . . . . . . 4942 1 1027 . 1 1 84 84 PRO CD C 13 49.16 0.2 . 1 . . . . . . . . . 4942 1 1028 . 1 1 85 85 TYR H H 1 9.07 0.02 . 1 . . . . . . . . . 4942 1 1029 . 1 1 85 85 TYR HA H 1 5.15 0.02 . 1 . . . . . . . . . 4942 1 1030 . 1 1 85 85 TYR HB2 H 1 2.39 0.02 . 2 . . . . . . . . . 4942 1 1031 . 1 1 85 85 TYR HB3 H 1 2.34 0.02 . 2 . . . . . . . . . 4942 1 1032 . 1 1 85 85 TYR HD1 H 1 7.25 0.02 . 2 . . . . . . . . . 4942 1 1033 . 1 1 85 85 TYR HD2 H 1 6.40 0.02 . 2 . . . . . . . . . 4942 1 1034 . 1 1 85 85 TYR HE1 H 1 6.80 0.02 . 1 . . . . . . . . . 4942 1 1035 . 1 1 85 85 TYR HE2 H 1 6.44 0.02 . 1 . . . . . . . . . 4942 1 1036 . 1 1 85 85 TYR C C 13 175.80 0.2 . 1 . . . . . . . . . 4942 1 1037 . 1 1 85 85 TYR CA C 13 56.46 0.2 . 1 . . . . . . . . . 4942 1 1038 . 1 1 85 85 TYR CB C 13 45.16 0.2 . 1 . . . . . . . . . 4942 1 1039 . 1 1 85 85 TYR CD1 C 13 134.34 0.2 . 1 . . . . . . . . . 4942 1 1040 . 1 1 85 85 TYR CD2 C 13 130.58 0.2 . 1 . . . . . . . . . 4942 1 1041 . 1 1 85 85 TYR CE1 C 13 119.32 0.2 . 1 . . . . . . . . . 4942 1 1042 . 1 1 85 85 TYR CE2 C 13 116.65 0.2 . 1 . . . . . . . . . 4942 1 1043 . 1 1 85 85 TYR N N 15 120.61 0.1 . 1 . . . . . . . . . 4942 1 1044 . 1 1 86 86 HIS H H 1 9.08 0.02 . 1 . . . . . . . . . 4942 1 1045 . 1 1 86 86 HIS HA H 1 5.39 0.02 . 1 . . . . . . . . . 4942 1 1046 . 1 1 86 86 HIS HB2 H 1 3.49 0.02 . 2 . . . . . . . . . 4942 1 1047 . 1 1 86 86 HIS HB3 H 1 3.37 0.02 . 2 . . . . . . . . . 4942 1 1048 . 1 1 86 86 HIS HD2 H 1 7.32 0.02 . 2 . . . . . . . . . 4942 1 1049 . 1 1 86 86 HIS HE1 H 1 8.51 0.02 . 1 . . . . . . . . . 4942 1 1050 . 1 1 86 86 HIS C C 13 171.27 0.2 . 1 . . . . . . . . . 4942 1 1051 . 1 1 86 86 HIS CA C 13 52.22 0.2 . 1 . . . . . . . . . 4942 1 1052 . 1 1 86 86 HIS CB C 13 29.30 0.2 . 1 . . . . . . . . . 4942 1 1053 . 1 1 86 86 HIS CD2 C 13 119.65 0.2 . 1 . . . . . . . . . 4942 1 1054 . 1 1 86 86 HIS CE1 C 13 134.90 0.2 . 1 . . . . . . . . . 4942 1 1055 . 1 1 86 86 HIS N N 15 115.28 0.1 . 1 . . . . . . . . . 4942 1 1056 . 1 1 87 87 PRO HA H 1 5.07 0.02 . 1 . . . . . . . . . 4942 1 1057 . 1 1 87 87 PRO HB2 H 1 2.37 0.02 . 2 . . . . . . . . . 4942 1 1058 . 1 1 87 87 PRO HB3 H 1 2.18 0.02 . 2 . . . . . . . . . 4942 1 1059 . 1 1 87 87 PRO HG2 H 1 2.22 0.02 . 2 . . . . . . . . . 4942 1 1060 . 1 1 87 87 PRO HG3 H 1 2.19 0.02 . 2 . . . . . . . . . 4942 1 1061 . 1 1 87 87 PRO HD2 H 1 4.00 0.02 . 2 . . . . . . . . . 4942 1 1062 . 1 1 87 87 PRO HD3 H 1 3.84 0.02 . 2 . . . . . . . . . 4942 1 1063 . 1 1 87 87 PRO C C 13 177.20 0.2 . 1 . . . . . . . . . 4942 1 1064 . 1 1 87 87 PRO CA C 13 62.08 0.2 . 1 . . . . . . . . . 4942 1 1065 . 1 1 87 87 PRO CB C 13 33.69 0.2 . 1 . . . . . . . . . 4942 1 1066 . 1 1 87 87 PRO CG C 13 26.19 0.2 . 1 . . . . . . . . . 4942 1 1067 . 1 1 87 87 PRO CD C 13 49.58 0.2 . 1 . . . . . . . . . 4942 1 1068 . 1 1 88 88 SER H H 1 8.07 0.02 . 1 . . . . . . . . . 4942 1 1069 . 1 1 88 88 SER HA H 1 4.91 0.02 . 1 . . . . . . . . . 4942 1 1070 . 1 1 88 88 SER HB2 H 1 4.18 0.02 . 2 . . . . . . . . . 4942 1 1071 . 1 1 88 88 SER HB3 H 1 3.66 0.02 . 2 . . . . . . . . . 4942 1 1072 . 1 1 88 88 SER C C 13 172.38 0.2 . 1 . . . . . . . . . 4942 1 1073 . 1 1 88 88 SER CA C 13 55.05 0.2 . 1 . . . . . . . . . 4942 1 1074 . 1 1 88 88 SER CB C 13 63.34 0.2 . 1 . . . . . . . . . 4942 1 1075 . 1 1 88 88 SER N N 15 113.22 0.1 . 1 . . . . . . . . . 4942 1 1076 . 1 1 89 89 PRO HA H 1 5.15 0.02 . 1 . . . . . . . . . 4942 1 1077 . 1 1 89 89 PRO HB2 H 1 2.44 0.02 . 2 . . . . . . . . . 4942 1 1078 . 1 1 89 89 PRO HB3 H 1 2.06 0.02 . 2 . . . . . . . . . 4942 1 1079 . 1 1 89 89 PRO HG2 H 1 2.15 0.02 . 2 . . . . . . . . . 4942 1 1080 . 1 1 89 89 PRO HG3 H 1 2.01 0.02 . 2 . . . . . . . . . 4942 1 1081 . 1 1 89 89 PRO HD2 H 1 3.91 0.02 . 2 . . . . . . . . . 4942 1 1082 . 1 1 89 89 PRO HD3 H 1 3.58 0.02 . 2 . . . . . . . . . 4942 1 1083 . 1 1 89 89 PRO C C 13 176.04 0.2 . 1 . . . . . . . . . 4942 1 1084 . 1 1 89 89 PRO CA C 13 62.04 0.2 . 1 . . . . . . . . . 4942 1 1085 . 1 1 89 89 PRO CB C 13 32.42 0.2 . 1 . . . . . . . . . 4942 1 1086 . 1 1 89 89 PRO CG C 13 26.17 0.2 . 1 . . . . . . . . . 4942 1 1087 . 1 1 89 89 PRO CD C 13 50.16 0.2 . 1 . . . . . . . . . 4942 1 1088 . 1 1 90 90 ASP H H 1 8.68 0.02 . 1 . . . . . . . . . 4942 1 1089 . 1 1 90 90 ASP HA H 1 4.86 0.02 . 1 . . . . . . . . . 4942 1 1090 . 1 1 90 90 ASP HB2 H 1 2.77 0.02 . 2 . . . . . . . . . 4942 1 1091 . 1 1 90 90 ASP HB3 H 1 2.46 0.02 . 2 . . . . . . . . . 4942 1 1092 . 1 1 90 90 ASP C C 13 174.49 0.2 . 1 . . . . . . . . . 4942 1 1093 . 1 1 90 90 ASP CA C 13 52.80 0.2 . 1 . . . . . . . . . 4942 1 1094 . 1 1 90 90 ASP CB C 13 44.22 0.2 . 1 . . . . . . . . . 4942 1 1095 . 1 1 90 90 ASP N N 15 119.42 0.1 . 1 . . . . . . . . . 4942 1 1096 . 1 1 91 91 ASN H H 1 9.28 0.02 . 1 . . . . . . . . . 4942 1 1097 . 1 1 91 91 ASN HA H 1 5.66 0.02 . 1 . . . . . . . . . 4942 1 1098 . 1 1 91 91 ASN HB2 H 1 2.69 0.02 . 2 . . . . . . . . . 4942 1 1099 . 1 1 91 91 ASN HB3 H 1 2.62 0.02 . 2 . . . . . . . . . 4942 1 1100 . 1 1 91 91 ASN HD21 H 1 7.40 0.02 . 1 . . . . . . . . . 4942 1 1101 . 1 1 91 91 ASN HD22 H 1 6.64 0.02 . 1 . . . . . . . . . 4942 1 1102 . 1 1 91 91 ASN C C 13 174.18 0.2 . 1 . . . . . . . . . 4942 1 1103 . 1 1 91 91 ASN CA C 13 52.19 0.2 . 1 . . . . . . . . . 4942 1 1104 . 1 1 91 91 ASN CB C 13 39.72 0.2 . 1 . . . . . . . . . 4942 1 1105 . 1 1 91 91 ASN N N 15 121.20 0.1 . 1 . . . . . . . . . 4942 1 1106 . 1 1 91 91 ASN ND2 N 15 111.25 0.1 . 1 . . . . . . . . . 4942 1 1107 . 1 1 92 92 ASN H H 1 9.01 0.02 . 1 . . . . . . . . . 4942 1 1108 . 1 1 92 92 ASN HA H 1 4.84 0.02 . 1 . . . . . . . . . 4942 1 1109 . 1 1 92 92 ASN HB2 H 1 2.82 0.02 . 2 . . . . . . . . . 4942 1 1110 . 1 1 92 92 ASN HB3 H 1 2.44 0.02 . 2 . . . . . . . . . 4942 1 1111 . 1 1 92 92 ASN HD21 H 1 8.03 0.02 . 1 . . . . . . . . . 4942 1 1112 . 1 1 92 92 ASN HD22 H 1 7.19 0.02 . 1 . . . . . . . . . 4942 1 1113 . 1 1 92 92 ASN C C 13 175.46 0.2 . 1 . . . . . . . . . 4942 1 1114 . 1 1 92 92 ASN CA C 13 51.08 0.2 . 1 . . . . . . . . . 4942 1 1115 . 1 1 92 92 ASN CB C 13 41.58 0.2 . 1 . . . . . . . . . 4942 1 1116 . 1 1 92 92 ASN N N 15 122.27 0.1 . 1 . . . . . . . . . 4942 1 1117 . 1 1 92 92 ASN ND2 N 15 113.45 0.1 . 1 . . . . . . . . . 4942 1 1118 . 1 1 93 93 LYS H H 1 9.21 0.02 . 1 . . . . . . . . . 4942 1 1119 . 1 1 93 93 LYS HA H 1 4.46 0.02 . 1 . . . . . . . . . 4942 1 1120 . 1 1 93 93 LYS HB2 H 1 2.09 0.02 . 2 . . . . . . . . . 4942 1 1121 . 1 1 93 93 LYS HB3 H 1 1.29 0.02 . 2 . . . . . . . . . 4942 1 1122 . 1 1 93 93 LYS HG2 H 1 1.39 0.02 . 2 . . . . . . . . . 4942 1 1123 . 1 1 93 93 LYS HG3 H 1 1.11 0.02 . 2 . . . . . . . . . 4942 1 1124 . 1 1 93 93 LYS HD2 H 1 1.77 0.02 . 2 . . . . . . . . . 4942 1 1125 . 1 1 93 93 LYS HD3 H 1 1.59 0.02 . 2 . . . . . . . . . 4942 1 1126 . 1 1 93 93 LYS HE2 H 1 2.88 0.02 . 1 . . . . . . . . . 4942 1 1127 . 1 1 93 93 LYS HE3 H 1 2.88 0.02 . 1 . . . . . . . . . 4942 1 1128 . 1 1 93 93 LYS C C 13 176.77 0.2 . 1 . . . . . . . . . 4942 1 1129 . 1 1 93 93 LYS CA C 13 56.10 0.2 . 1 . . . . . . . . . 4942 1 1130 . 1 1 93 93 LYS CB C 13 34.22 0.2 . 1 . . . . . . . . . 4942 1 1131 . 1 1 93 93 LYS CG C 13 24.85 0.2 . 1 . . . . . . . . . 4942 1 1132 . 1 1 93 93 LYS CD C 13 28.60 0.2 . 1 . . . . . . . . . 4942 1 1133 . 1 1 93 93 LYS CE C 13 41.72 0.2 . 1 . . . . . . . . . 4942 1 1134 . 1 1 93 93 LYS N N 15 121.23 0.1 . 1 . . . . . . . . . 4942 1 1135 . 1 1 94 94 ILE H H 1 8.67 0.02 . 1 . . . . . . . . . 4942 1 1136 . 1 1 94 94 ILE HA H 1 4.90 0.02 . 1 . . . . . . . . . 4942 1 1137 . 1 1 94 94 ILE HB H 1 1.63 0.02 . 1 . . . . . . . . . 4942 1 1138 . 1 1 94 94 ILE HG12 H 1 1.40 0.02 . 2 . . . . . . . . . 4942 1 1139 . 1 1 94 94 ILE HG13 H 1 1.13 0.02 . 2 . . . . . . . . . 4942 1 1140 . 1 1 94 94 ILE HG21 H 1 1.04 0.02 . 1 . . . . . . . . . 4942 1 1141 . 1 1 94 94 ILE HG22 H 1 1.04 0.02 . 1 . . . . . . . . . 4942 1 1142 . 1 1 94 94 ILE HG23 H 1 1.04 0.02 . 1 . . . . . . . . . 4942 1 1143 . 1 1 94 94 ILE HD11 H 1 0.37 0.02 . 1 . . . . . . . . . 4942 1 1144 . 1 1 94 94 ILE HD12 H 1 0.37 0.02 . 1 . . . . . . . . . 4942 1 1145 . 1 1 94 94 ILE HD13 H 1 0.37 0.02 . 1 . . . . . . . . . 4942 1 1146 . 1 1 94 94 ILE C C 13 172.54 0.2 . 1 . . . . . . . . . 4942 1 1147 . 1 1 94 94 ILE CA C 13 58.68 0.2 . 1 . . . . . . . . . 4942 1 1148 . 1 1 94 94 ILE CB C 13 40.81 0.2 . 1 . . . . . . . . . 4942 1 1149 . 1 1 94 94 ILE CG1 C 13 23.59 0.2 . 1 . . . . . . . . . 4942 1 1150 . 1 1 94 94 ILE CG2 C 13 19.22 0.2 . 1 . . . . . . . . . 4942 1 1151 . 1 1 94 94 ILE CD1 C 13 12.97 0.2 . 1 . . . . . . . . . 4942 1 1152 . 1 1 94 94 ILE N N 15 110.86 0.1 . 1 . . . . . . . . . 4942 1 1153 . 1 1 95 95 CYS H H 1 8.77 0.02 . 1 . . . . . . . . . 4942 1 1154 . 1 1 95 95 CYS HA H 1 5.59 0.02 . 1 . . . . . . . . . 4942 1 1155 . 1 1 95 95 CYS HB2 H 1 3.10 0.02 . 2 . . . . . . . . . 4942 1 1156 . 1 1 95 95 CYS HB3 H 1 2.09 0.02 . 2 . . . . . . . . . 4942 1 1157 . 1 1 95 95 CYS C C 13 174.18 0.2 . 1 . . . . . . . . . 4942 1 1158 . 1 1 95 95 CYS CA C 13 53.94 0.2 . 1 . . . . . . . . . 4942 1 1159 . 1 1 95 95 CYS CB C 13 47.46 0.2 . 1 . . . . . . . . . 4942 1 1160 . 1 1 95 95 CYS N N 15 122.43 0.1 . 1 . . . . . . . . . 4942 1 1161 . 1 1 96 96 VAL H H 1 8.72 0.02 . 1 . . . . . . . . . 4942 1 1162 . 1 1 96 96 VAL HA H 1 4.91 0.02 . 1 . . . . . . . . . 4942 1 1163 . 1 1 96 96 VAL HB H 1 1.92 0.02 . 1 . . . . . . . . . 4942 1 1164 . 1 1 96 96 VAL HG11 H 1 0.74 0.02 . 1 . . . . . . . . . 4942 1 1165 . 1 1 96 96 VAL HG12 H 1 0.74 0.02 . 1 . . . . . . . . . 4942 1 1166 . 1 1 96 96 VAL HG13 H 1 0.74 0.02 . 1 . . . . . . . . . 4942 1 1167 . 1 1 96 96 VAL HG21 H 1 0.68 0.02 . 2 . . . . . . . . . 4942 1 1168 . 1 1 96 96 VAL HG22 H 1 0.68 0.02 . 2 . . . . . . . . . 4942 1 1169 . 1 1 96 96 VAL HG23 H 1 0.68 0.02 . 2 . . . . . . . . . 4942 1 1170 . 1 1 96 96 VAL C C 13 173.24 0.2 . 1 . . . . . . . . . 4942 1 1171 . 1 1 96 96 VAL CA C 13 57.08 0.2 . 1 . . . . . . . . . 4942 1 1172 . 1 1 96 96 VAL CB C 13 34.42 0.2 . 1 . . . . . . . . . 4942 1 1173 . 1 1 96 96 VAL CG1 C 13 17.81 0.2 . 1 . . . . . . . . . 4942 1 1174 . 1 1 96 96 VAL CG2 C 13 21.45 0.2 . 1 . . . . . . . . . 4942 1 1175 . 1 1 96 96 VAL N N 15 120.09 0.1 . 1 . . . . . . . . . 4942 1 1176 . 1 1 97 97 LYS H H 1 8.46 0.02 . 1 . . . . . . . . . 4942 1 1177 . 1 1 97 97 LYS HA H 1 4.43 0.02 . 1 . . . . . . . . . 4942 1 1178 . 1 1 97 97 LYS HB2 H 1 1.92 0.02 . 2 . . . . . . . . . 4942 1 1179 . 1 1 97 97 LYS HB3 H 1 1.55 0.02 . 2 . . . . . . . . . 4942 1 1180 . 1 1 97 97 LYS HG2 H 1 1.46 0.02 . 2 . . . . . . . . . 4942 1 1181 . 1 1 97 97 LYS HG3 H 1 1.02 0.02 . 2 . . . . . . . . . 4942 1 1182 . 1 1 97 97 LYS HD2 H 1 1.53 0.02 . 2 . . . . . . . . . 4942 1 1183 . 1 1 97 97 LYS HD3 H 1 1.49 0.02 . 2 . . . . . . . . . 4942 1 1184 . 1 1 97 97 LYS HE2 H 1 2.90 0.02 . 2 . . . . . . . . . 4942 1 1185 . 1 1 97 97 LYS HE3 H 1 2.77 0.02 . 2 . . . . . . . . . 4942 1 1186 . 1 1 97 97 LYS C C 13 174.56 0.2 . 1 . . . . . . . . . 4942 1 1187 . 1 1 97 97 LYS CA C 13 54.56 0.2 . 1 . . . . . . . . . 4942 1 1188 . 1 1 97 97 LYS CB C 13 33.03 0.2 . 1 . . . . . . . . . 4942 1 1189 . 1 1 97 97 LYS CG C 13 23.94 0.2 . 1 . . . . . . . . . 4942 1 1190 . 1 1 97 97 LYS CD C 13 27.69 0.2 . 1 . . . . . . . . . 4942 1 1191 . 1 1 97 97 LYS CE C 13 40.81 0.2 . 1 . . . . . . . . . 4942 1 1192 . 1 1 97 97 LYS N N 15 120.20 0.1 . 1 . . . . . . . . . 4942 1 1193 . 1 1 98 98 CYS H H 1 8.31 0.02 . 1 . . . . . . . . . 4942 1 1194 . 1 1 98 98 CYS HA H 1 5.22 0.02 . 1 . . . . . . . . . 4942 1 1195 . 1 1 98 98 CYS HB2 H 1 3.05 0.02 . 2 . . . . . . . . . 4942 1 1196 . 1 1 98 98 CYS HB3 H 1 2.85 0.02 . 2 . . . . . . . . . 4942 1 1197 . 1 1 98 98 CYS C C 13 174.02 0.2 . 1 . . . . . . . . . 4942 1 1198 . 1 1 98 98 CYS CA C 13 51.74 0.2 . 1 . . . . . . . . . 4942 1 1199 . 1 1 98 98 CYS CB C 13 37.20 0.2 . 1 . . . . . . . . . 4942 1 1200 . 1 1 98 98 CYS N N 15 127.55 0.1 . 1 . . . . . . . . . 4942 1 1201 . 1 1 99 99 GLU H H 1 9.05 0.02 . 1 . . . . . . . . . 4942 1 1202 . 1 1 99 99 GLU HA H 1 4.44 0.02 . 1 . . . . . . . . . 4942 1 1203 . 1 1 99 99 GLU HB2 H 1 1.87 0.02 . 2 . . . . . . . . . 4942 1 1204 . 1 1 99 99 GLU HB3 H 1 1.71 0.02 . 2 . . . . . . . . . 4942 1 1205 . 1 1 99 99 GLU HG2 H 1 2.11 0.02 . 1 . . . . . . . . . 4942 1 1206 . 1 1 99 99 GLU HG3 H 1 2.11 0.02 . 1 . . . . . . . . . 4942 1 1207 . 1 1 99 99 GLU C C 13 176.22 0.2 . 1 . . . . . . . . . 4942 1 1208 . 1 1 99 99 GLU CA C 13 53.91 0.2 . 1 . . . . . . . . . 4942 1 1209 . 1 1 99 99 GLU CB C 13 32.36 0.2 . 1 . . . . . . . . . 4942 1 1210 . 1 1 99 99 GLU CG C 13 36.41 0.2 . 1 . . . . . . . . . 4942 1 1211 . 1 1 99 99 GLU N N 15 121.37 0.1 . 1 . . . . . . . . . 4942 1 1212 . 1 1 100 100 LYS H H 1 9.73 0.02 . 1 . . . . . . . . . 4942 1 1213 . 1 1 100 100 LYS HA H 1 3.71 0.02 . 1 . . . . . . . . . 4942 1 1214 . 1 1 100 100 LYS HB2 H 1 1.95 0.02 . 2 . . . . . . . . . 4942 1 1215 . 1 1 100 100 LYS HB3 H 1 1.84 0.02 . 2 . . . . . . . . . 4942 1 1216 . 1 1 100 100 LYS HG2 H 1 1.46 0.02 . 1 . . . . . . . . . 4942 1 1217 . 1 1 100 100 LYS HG3 H 1 1.46 0.02 . 1 . . . . . . . . . 4942 1 1218 . 1 1 100 100 LYS HD2 H 1 1.74 0.02 . 2 . . . . . . . . . 4942 1 1219 . 1 1 100 100 LYS HD3 H 1 1.70 0.02 . 2 . . . . . . . . . 4942 1 1220 . 1 1 100 100 LYS HE2 H 1 3.05 0.02 . 1 . . . . . . . . . 4942 1 1221 . 1 1 100 100 LYS HE3 H 1 3.05 0.02 . 1 . . . . . . . . . 4942 1 1222 . 1 1 100 100 LYS C C 13 174.81 0.2 . 1 . . . . . . . . . 4942 1 1223 . 1 1 100 100 LYS CA C 13 56.64 0.2 . 1 . . . . . . . . . 4942 1 1224 . 1 1 100 100 LYS CB C 13 28.91 0.2 . 1 . . . . . . . . . 4942 1 1225 . 1 1 100 100 LYS CG C 13 24.64 0.2 . 1 . . . . . . . . . 4942 1 1226 . 1 1 100 100 LYS CD C 13 28.39 0.2 . 1 . . . . . . . . . 4942 1 1227 . 1 1 100 100 LYS CE C 13 41.51 0.2 . 1 . . . . . . . . . 4942 1 1228 . 1 1 100 100 LYS N N 15 126.62 0.1 . 1 . . . . . . . . . 4942 1 1229 . 1 1 101 101 GLN H H 1 9.24 0.02 . 1 . . . . . . . . . 4942 1 1230 . 1 1 101 101 GLN HA H 1 3.53 0.02 . 1 . . . . . . . . . 4942 1 1231 . 1 1 101 101 GLN HB2 H 1 2.30 0.02 . 2 . . . . . . . . . 4942 1 1232 . 1 1 101 101 GLN HB3 H 1 2.23 0.02 . 2 . . . . . . . . . 4942 1 1233 . 1 1 101 101 GLN HG2 H 1 2.19 0.02 . 1 . . . . . . . . . 4942 1 1234 . 1 1 101 101 GLN HG3 H 1 2.19 0.02 . 1 . . . . . . . . . 4942 1 1235 . 1 1 101 101 GLN HE21 H 1 7.44 0.02 . 2 . . . . . . . . . 4942 1 1236 . 1 1 101 101 GLN HE22 H 1 6.83 0.02 . 2 . . . . . . . . . 4942 1 1237 . 1 1 101 101 GLN C C 13 173.87 0.2 . 1 . . . . . . . . . 4942 1 1238 . 1 1 101 101 GLN CA C 13 57.50 0.2 . 1 . . . . . . . . . 4942 1 1239 . 1 1 101 101 GLN CB C 13 25.15 0.2 . 1 . . . . . . . . . 4942 1 1240 . 1 1 101 101 GLN CG C 13 34.27 0.2 . 1 . . . . . . . . . 4942 1 1241 . 1 1 101 101 GLN N N 15 106.45 0.1 . 1 . . . . . . . . . 4942 1 1242 . 1 1 101 101 GLN NE2 N 15 112.26 0.1 . 1 . . . . . . . . . 4942 1 1243 . 1 1 102 102 LEU H H 1 7.45 0.02 . 1 . . . . . . . . . 4942 1 1244 . 1 1 102 102 LEU HA H 1 4.61 0.02 . 1 . . . . . . . . . 4942 1 1245 . 1 1 102 102 LEU HB2 H 1 1.58 0.02 . 2 . . . . . . . . . 4942 1 1246 . 1 1 102 102 LEU HB3 H 1 0.92 0.02 . 2 . . . . . . . . . 4942 1 1247 . 1 1 102 102 LEU HG H 1 1.40 0.02 . 1 . . . . . . . . . 4942 1 1248 . 1 1 102 102 LEU HD11 H 1 0.78 0.02 . 2 . . . . . . . . . 4942 1 1249 . 1 1 102 102 LEU HD12 H 1 0.78 0.02 . 2 . . . . . . . . . 4942 1 1250 . 1 1 102 102 LEU HD13 H 1 0.78 0.02 . 2 . . . . . . . . . 4942 1 1251 . 1 1 102 102 LEU HD21 H 1 0.25 0.02 . 2 . . . . . . . . . 4942 1 1252 . 1 1 102 102 LEU HD22 H 1 0.25 0.02 . 2 . . . . . . . . . 4942 1 1253 . 1 1 102 102 LEU HD23 H 1 0.25 0.02 . 2 . . . . . . . . . 4942 1 1254 . 1 1 102 102 LEU C C 13 173.40 0.2 . 1 . . . . . . . . . 4942 1 1255 . 1 1 102 102 LEU CA C 13 50.29 0.2 . 1 . . . . . . . . . 4942 1 1256 . 1 1 102 102 LEU CB C 13 44.49 0.2 . 1 . . . . . . . . . 4942 1 1257 . 1 1 102 102 LEU CG C 13 25.29 0.2 . 1 . . . . . . . . . 4942 1 1258 . 1 1 102 102 LEU CD1 C 13 24.84 0.2 . 1 . . . . . . . . . 4942 1 1259 . 1 1 102 102 LEU CD2 C 13 22.48 0.2 . 1 . . . . . . . . . 4942 1 1260 . 1 1 102 102 LEU N N 15 116.89 0.1 . 1 . . . . . . . . . 4942 1 1261 . 1 1 103 103 PRO HA H 1 4.58 0.02 . 1 . . . . . . . . . 4942 1 1262 . 1 1 103 103 PRO HB2 H 1 1.27 0.02 . 2 . . . . . . . . . 4942 1 1263 . 1 1 103 103 PRO HB3 H 1 0.90 0.02 . 2 . . . . . . . . . 4942 1 1264 . 1 1 103 103 PRO HG2 H 1 1.88 0.02 . 2 . . . . . . . . . 4942 1 1265 . 1 1 103 103 PRO HG3 H 1 1.63 0.02 . 2 . . . . . . . . . 4942 1 1266 . 1 1 103 103 PRO HD2 H 1 3.30 0.02 . 2 . . . . . . . . . 4942 1 1267 . 1 1 103 103 PRO HD3 H 1 3.08 0.02 . 2 . . . . . . . . . 4942 1 1268 . 1 1 103 103 PRO C C 13 176.62 0.2 . 1 . . . . . . . . . 4942 1 1269 . 1 1 103 103 PRO CA C 13 61.20 0.2 . 1 . . . . . . . . . 4942 1 1270 . 1 1 103 103 PRO CB C 13 29.53 0.2 . 1 . . . . . . . . . 4942 1 1271 . 1 1 103 103 PRO CG C 13 27.03 0.2 . 1 . . . . . . . . . 4942 1 1272 . 1 1 103 103 PRO CD C 13 49.33 0.2 . 1 . . . . . . . . . 4942 1 1273 . 1 1 104 104 VAL H H 1 8.28 0.02 . 1 . . . . . . . . . 4942 1 1274 . 1 1 104 104 VAL HA H 1 4.59 0.02 . 1 . . . . . . . . . 4942 1 1275 . 1 1 104 104 VAL HB H 1 2.02 0.02 . 1 . . . . . . . . . 4942 1 1276 . 1 1 104 104 VAL HG11 H 1 0.96 0.02 . 1 . . . . . . . . . 4942 1 1277 . 1 1 104 104 VAL HG12 H 1 0.96 0.02 . 1 . . . . . . . . . 4942 1 1278 . 1 1 104 104 VAL HG13 H 1 0.96 0.02 . 1 . . . . . . . . . 4942 1 1279 . 1 1 104 104 VAL HG21 H 1 0.66 0.02 . 2 . . . . . . . . . 4942 1 1280 . 1 1 104 104 VAL HG22 H 1 0.66 0.02 . 2 . . . . . . . . . 4942 1 1281 . 1 1 104 104 VAL HG23 H 1 0.66 0.02 . 2 . . . . . . . . . 4942 1 1282 . 1 1 104 104 VAL C C 13 176.04 0.2 . 1 . . . . . . . . . 4942 1 1283 . 1 1 104 104 VAL CA C 13 59.56 0.2 . 1 . . . . . . . . . 4942 1 1284 . 1 1 104 104 VAL CB C 13 33.18 0.2 . 1 . . . . . . . . . 4942 1 1285 . 1 1 104 104 VAL CG1 C 13 21.31 0.2 . 1 . . . . . . . . . 4942 1 1286 . 1 1 104 104 VAL CG2 C 13 16.93 0.2 . 1 . . . . . . . . . 4942 1 1287 . 1 1 104 104 VAL N N 15 108.04 0.1 . 1 . . . . . . . . . 4942 1 1288 . 1 1 105 105 HIS H H 1 7.09 0.02 . 1 . . . . . . . . . 4942 1 1289 . 1 1 105 105 HIS HA H 1 5.57 0.02 . 1 . . . . . . . . . 4942 1 1290 . 1 1 105 105 HIS HB2 H 1 3.25 0.02 . 2 . . . . . . . . . 4942 1 1291 . 1 1 105 105 HIS HB3 H 1 2.89 0.02 . 2 . . . . . . . . . 4942 1 1292 . 1 1 105 105 HIS HD2 H 1 6.99 0.02 . 2 . . . . . . . . . 4942 1 1293 . 1 1 105 105 HIS HE1 H 1 8.52 0.02 . 1 . . . . . . . . . 4942 1 1294 . 1 1 105 105 HIS C C 13 173.20 0.2 . 1 . . . . . . . . . 4942 1 1295 . 1 1 105 105 HIS CA C 13 54.21 0.2 . 1 . . . . . . . . . 4942 1 1296 . 1 1 105 105 HIS CB C 13 32.06 0.2 . 1 . . . . . . . . . 4942 1 1297 . 1 1 105 105 HIS CD2 C 13 118.93 0.2 . 1 . . . . . . . . . 4942 1 1298 . 1 1 105 105 HIS CE1 C 13 134.90 0.2 . 1 . . . . . . . . . 4942 1 1299 . 1 1 105 105 HIS N N 15 116.44 0.1 . 1 . . . . . . . . . 4942 1 1300 . 1 1 106 106 PHE HA H 1 4.19 0.02 . 1 . . . . . . . . . 4942 1 1301 . 1 1 106 106 PHE HB2 H 1 2.97 0.02 . 2 . . . . . . . . . 4942 1 1302 . 1 1 106 106 PHE HB3 H 1 1.82 0.02 . 2 . . . . . . . . . 4942 1 1303 . 1 1 106 106 PHE HD1 H 1 7.00 0.02 . 2 . . . . . . . . . 4942 1 1304 . 1 1 106 106 PHE HE1 H 1 6.76 0.02 . 1 . . . . . . . . . 4942 1 1305 . 1 1 106 106 PHE HZ H 1 7.05 0.02 . 1 . . . . . . . . . 4942 1 1306 . 1 1 106 106 PHE C C 13 173.03 0.2 . 1 . . . . . . . . . 4942 1 1307 . 1 1 106 106 PHE CA C 13 58.40 0.2 . 1 . . . . . . . . . 4942 1 1308 . 1 1 106 106 PHE CB C 13 38.39 0.2 . 1 . . . . . . . . . 4942 1 1309 . 1 1 106 106 PHE CD1 C 13 128.99 0.2 . 1 . . . . . . . . . 4942 1 1310 . 1 1 106 106 PHE CE1 C 13 129.88 0.2 . 1 . . . . . . . . . 4942 1 1311 . 1 1 106 106 PHE CZ C 13 129.04 0.2 . 1 . . . . . . . . . 4942 1 1312 . 1 1 107 107 VAL H H 1 7.93 0.02 . 1 . . . . . . . . . 4942 1 1313 . 1 1 107 107 VAL HA H 1 3.78 0.02 . 1 . . . . . . . . . 4942 1 1314 . 1 1 107 107 VAL HB H 1 1.21 0.02 . 1 . . . . . . . . . 4942 1 1315 . 1 1 107 107 VAL HG11 H 1 0.88 0.02 . 1 . . . . . . . . . 4942 1 1316 . 1 1 107 107 VAL HG12 H 1 0.88 0.02 . 1 . . . . . . . . . 4942 1 1317 . 1 1 107 107 VAL HG13 H 1 0.88 0.02 . 1 . . . . . . . . . 4942 1 1318 . 1 1 107 107 VAL HG21 H 1 0.68 0.02 . 2 . . . . . . . . . 4942 1 1319 . 1 1 107 107 VAL HG22 H 1 0.68 0.02 . 2 . . . . . . . . . 4942 1 1320 . 1 1 107 107 VAL HG23 H 1 0.68 0.02 . 2 . . . . . . . . . 4942 1 1321 . 1 1 107 107 VAL C C 13 175.65 0.2 . 1 . . . . . . . . . 4942 1 1322 . 1 1 107 107 VAL CA C 13 63.12 0.2 . 1 . . . . . . . . . 4942 1 1323 . 1 1 107 107 VAL CB C 13 31.71 0.2 . 1 . . . . . . . . . 4942 1 1324 . 1 1 107 107 VAL CG1 C 13 20.46 0.2 . 1 . . . . . . . . . 4942 1 1325 . 1 1 107 107 VAL CG2 C 13 20.46 0.2 . 1 . . . . . . . . . 4942 1 1326 . 1 1 107 107 VAL N N 15 128.00 0.1 . 1 . . . . . . . . . 4942 1 1327 . 1 1 108 108 GLY H H 1 6.78 0.02 . 1 . . . . . . . . . 4942 1 1328 . 1 1 108 108 GLY HA2 H 1 3.96 0.02 . 1 . . . . . . . . . 4942 1 1329 . 1 1 108 108 GLY HA3 H 1 4.20 0.02 . 1 . . . . . . . . . 4942 1 1330 . 1 1 108 108 GLY C C 13 170.21 0.2 . 1 . . . . . . . . . 4942 1 1331 . 1 1 108 108 GLY CA C 13 45.15 0.2 . 1 . . . . . . . . . 4942 1 1332 . 1 1 108 108 GLY N N 15 103.08 0.1 . 1 . . . . . . . . . 4942 1 1333 . 1 1 109 109 ILE H H 1 8.53 0.02 . 1 . . . . . . . . . 4942 1 1334 . 1 1 109 109 ILE HA H 1 4.17 0.02 . 1 . . . . . . . . . 4942 1 1335 . 1 1 109 109 ILE HB H 1 1.74 0.02 . 1 . . . . . . . . . 4942 1 1336 . 1 1 109 109 ILE HG12 H 1 1.94 0.02 . 2 . . . . . . . . . 4942 1 1337 . 1 1 109 109 ILE HG13 H 1 0.97 0.02 . 2 . . . . . . . . . 4942 1 1338 . 1 1 109 109 ILE HG21 H 1 0.88 0.02 . 1 . . . . . . . . . 4942 1 1339 . 1 1 109 109 ILE HG22 H 1 0.88 0.02 . 1 . . . . . . . . . 4942 1 1340 . 1 1 109 109 ILE HG23 H 1 0.88 0.02 . 1 . . . . . . . . . 4942 1 1341 . 1 1 109 109 ILE HD11 H 1 0.97 0.02 . 1 . . . . . . . . . 4942 1 1342 . 1 1 109 109 ILE HD12 H 1 0.97 0.02 . 1 . . . . . . . . . 4942 1 1343 . 1 1 109 109 ILE HD13 H 1 0.97 0.02 . 1 . . . . . . . . . 4942 1 1344 . 1 1 109 109 ILE C C 13 177.79 0.2 . 1 . . . . . . . . . 4942 1 1345 . 1 1 109 109 ILE CA C 13 61.25 0.2 . 1 . . . . . . . . . 4942 1 1346 . 1 1 109 109 ILE CB C 13 39.21 0.2 . 1 . . . . . . . . . 4942 1 1347 . 1 1 109 109 ILE CG1 C 13 27.96 0.2 . 1 . . . . . . . . . 4942 1 1348 . 1 1 109 109 ILE CG2 C 13 17.33 0.2 . 1 . . . . . . . . . 4942 1 1349 . 1 1 109 109 ILE CD1 C 13 12.96 0.2 . 1 . . . . . . . . . 4942 1 1350 . 1 1 109 109 ILE N N 15 119.25 0.1 . 1 . . . . . . . . . 4942 1 1351 . 1 1 110 110 GLY H H 1 8.83 0.02 . 1 . . . . . . . . . 4942 1 1352 . 1 1 110 110 GLY HA2 H 1 3.26 0.02 . 1 . . . . . . . . . 4942 1 1353 . 1 1 110 110 GLY HA3 H 1 4.21 0.02 . 1 . . . . . . . . . 4942 1 1354 . 1 1 110 110 GLY C C 13 171.76 0.2 . 1 . . . . . . . . . 4942 1 1355 . 1 1 110 110 GLY CA C 13 45.66 0.2 . 1 . . . . . . . . . 4942 1 1356 . 1 1 110 110 GLY N N 15 115.99 0.1 . 1 . . . . . . . . . 4942 1 1357 . 1 1 111 111 LYS H H 1 7.17 0.02 . 1 . . . . . . . . . 4942 1 1358 . 1 1 111 111 LYS HA H 1 4.37 0.02 . 1 . . . . . . . . . 4942 1 1359 . 1 1 111 111 LYS HB2 H 1 1.93 0.02 . 2 . . . . . . . . . 4942 1 1360 . 1 1 111 111 LYS HB3 H 1 1.75 0.02 . 2 . . . . . . . . . 4942 1 1361 . 1 1 111 111 LYS HG2 H 1 1.34 0.02 . 2 . . . . . . . . . 4942 1 1362 . 1 1 111 111 LYS HG3 H 1 1.21 0.02 . 2 . . . . . . . . . 4942 1 1363 . 1 1 111 111 LYS HD2 H 1 1.60 0.02 . 1 . . . . . . . . . 4942 1 1364 . 1 1 111 111 LYS HD3 H 1 1.60 0.02 . 1 . . . . . . . . . 4942 1 1365 . 1 1 111 111 LYS HE2 H 1 2.95 0.02 . 1 . . . . . . . . . 4942 1 1366 . 1 1 111 111 LYS HE3 H 1 2.95 0.02 . 1 . . . . . . . . . 4942 1 1367 . 1 1 111 111 LYS C C 13 173.86 0.2 . 1 . . . . . . . . . 4942 1 1368 . 1 1 111 111 LYS CA C 13 54.86 0.2 . 1 . . . . . . . . . 4942 1 1369 . 1 1 111 111 LYS CB C 13 33.38 0.2 . 1 . . . . . . . . . 4942 1 1370 . 1 1 111 111 LYS CG C 13 22.13 0.2 . 1 . . . . . . . . . 4942 1 1371 . 1 1 111 111 LYS CD C 13 28.38 0.2 . 1 . . . . . . . . . 4942 1 1372 . 1 1 111 111 LYS CE C 13 41.51 0.2 . 1 . . . . . . . . . 4942 1 1373 . 1 1 111 111 LYS N N 15 115.69 0.1 . 1 . . . . . . . . . 4942 1 1374 . 1 1 112 112 CYS H H 1 8.26 0.02 . 1 . . . . . . . . . 4942 1 1375 . 1 1 112 112 CYS HA H 1 4.46 0.02 . 1 . . . . . . . . . 4942 1 1376 . 1 1 112 112 CYS HB2 H 1 2.96 0.02 . 2 . . . . . . . . . 4942 1 1377 . 1 1 112 112 CYS HB3 H 1 2.66 0.02 . 2 . . . . . . . . . 4942 1 1378 . 1 1 112 112 CYS C C 13 173.87 0.2 . 1 . . . . . . . . . 4942 1 1379 . 1 1 112 112 CYS CA C 13 54.42 0.2 . 1 . . . . . . . . . 4942 1 1380 . 1 1 112 112 CYS CB C 13 42.02 0.2 . 1 . . . . . . . . . 4942 1 1381 . 1 1 112 112 CYS N N 15 122.26 0.1 . 1 . . . . . . . . . 4942 1 stop_ save_