data_5871 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5871 _Entry.Title ; Sequence-specific 1H, 13C and 15N resonance assignments of Ara h 6, an allergenic 2S albumin from peanut ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-07-17 _Entry.Accession_date 2003-07-17 _Entry.Last_release_date 2004-04-07 _Entry.Original_release_date 2004-04-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Katrin Lehmann . . . 5871 2 Kristian Schweimer . . . 5871 3 Paul Rosch . . . 5871 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5871 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 622 5871 '13C chemical shifts' 407 5871 '15N chemical shifts' 112 5871 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 . . 2004-04-07 2003-07-17 original author . 5871 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5871 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15017144 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequence-specific 1H, 13C and 15N resonance assignments of Ara h 6, an allergenic 2S albumin from peanut ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 93 _Citation.Page_last 94 _Citation.Year 2004 _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.Entry_ID _Citation_author.Citation_ID 1 Katrin Lehmann . . . 5871 1 2 Kristian Schweimer . . . 5871 1 3 Philipp Neudecker . . . 5871 1 4 Paul Rosch . . . 5871 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID allergen 5871 1 peanut 5871 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Ara_h_6 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Ara_h_6 _Assembly.Entry_ID 5871 _Assembly.ID 1 _Assembly.Name 'Ara h 6' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5871 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 'Ara h 6 monomer' 1 $Ara_h_6_monomer . . . native . . . . . 5871 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . . CYS 16 16 SG . 1 . 1 CYS 73 73 SG . . . . . . . . . . 5871 1 2 disulfide single . 1 . . CYS 28 28 SG . 1 . 1 CYS 60 60 SG . . . . . . . . . . 5871 1 3 disulfide single . 1 . . CYS 61 61 SG . 1 . 1 CYS 109 109 SG . . . . . . . . . . 5871 1 4 disulfide single . 1 . . CYS 75 75 SG . 1 . 1 CYS 117 117 SG . . . . . . . . . . 5871 1 5 disulfide single . 1 . . CYS 86 86 SG . 1 . 1 CYS 126 126 SG . . . . . . . . . . 5871 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Ara h 6' system 5871 1 'Ara h 6' abbreviation 5871 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID allergen 5871 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ara_h_6_monomer _Entity.Sf_category entity _Entity.Sf_framecode Ara_h_6_monomer _Entity.Entry_ID 5871 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ara h 6' _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 ; GPMRRERGRQGDSSSCERQV DRVNLKPCEQHIMQRIMGEQ EQYDSYDIRSTRSSDQQQRC CDELNEMENTQGCMCEALQQ IMENQCDRLQDRQMVQQFKR ELMSLPQQCNFRAPQRCDLD VSGGRCS ; _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 127 _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 14952 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The protein was partial digested (deletion of residue G1-R7).' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2013-11-03 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 1W2Q . "Allergen Arah6 From Peanut (Arachis Hypogaea)" . . . . . 100.00 127 100.00 100.00 1.39e-83 . . . . 5871 1 no GB AAW34231 . "Ara h 6 allergen [Arachis hypogaea]" . . . . . 97.64 124 100.00 100.00 6.64e-81 . . . . 5871 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ara h 6' common 5871 1 'Ara h 6' abbreviation 5871 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 . GLY . 5871 1 2 . PRO . 5871 1 3 . MET . 5871 1 4 . ARG . 5871 1 5 . ARG . 5871 1 6 . GLU . 5871 1 7 . ARG . 5871 1 8 . GLY . 5871 1 9 . ARG . 5871 1 10 . GLN . 5871 1 11 . GLY . 5871 1 12 . ASP . 5871 1 13 . SER . 5871 1 14 . SER . 5871 1 15 . SER . 5871 1 16 . CYS . 5871 1 17 . GLU . 5871 1 18 . ARG . 5871 1 19 . GLN . 5871 1 20 . VAL . 5871 1 21 . ASP . 5871 1 22 . ARG . 5871 1 23 . VAL . 5871 1 24 . ASN . 5871 1 25 . LEU . 5871 1 26 . LYS . 5871 1 27 . PRO . 5871 1 28 . CYS . 5871 1 29 . GLU . 5871 1 30 . GLN . 5871 1 31 . HIS . 5871 1 32 . ILE . 5871 1 33 . MET . 5871 1 34 . GLN . 5871 1 35 . ARG . 5871 1 36 . ILE . 5871 1 37 . MET . 5871 1 38 . GLY . 5871 1 39 . GLU . 5871 1 40 . GLN . 5871 1 41 . GLU . 5871 1 42 . GLN . 5871 1 43 . TYR . 5871 1 44 . ASP . 5871 1 45 . SER . 5871 1 46 . TYR . 5871 1 47 . ASP . 5871 1 48 . ILE . 5871 1 49 . ARG . 5871 1 50 . SER . 5871 1 51 . THR . 5871 1 52 . ARG . 5871 1 53 . SER . 5871 1 54 . SER . 5871 1 55 . ASP . 5871 1 56 . GLN . 5871 1 57 . GLN . 5871 1 58 . GLN . 5871 1 59 . ARG . 5871 1 60 . CYS . 5871 1 61 . CYS . 5871 1 62 . ASP . 5871 1 63 . GLU . 5871 1 64 . LEU . 5871 1 65 . ASN . 5871 1 66 . GLU . 5871 1 67 . MET . 5871 1 68 . GLU . 5871 1 69 . ASN . 5871 1 70 . THR . 5871 1 71 . GLN . 5871 1 72 . GLY . 5871 1 73 . CYS . 5871 1 74 . MET . 5871 1 75 . CYS . 5871 1 76 . GLU . 5871 1 77 . ALA . 5871 1 78 . LEU . 5871 1 79 . GLN . 5871 1 80 . GLN . 5871 1 81 . ILE . 5871 1 82 . MET . 5871 1 83 . GLU . 5871 1 84 . ASN . 5871 1 85 . GLN . 5871 1 86 . CYS . 5871 1 87 . ASP . 5871 1 88 . ARG . 5871 1 89 . LEU . 5871 1 90 . GLN . 5871 1 91 . ASP . 5871 1 92 . ARG . 5871 1 93 . GLN . 5871 1 94 . MET . 5871 1 95 . VAL . 5871 1 96 . GLN . 5871 1 97 . GLN . 5871 1 98 . PHE . 5871 1 99 . LYS . 5871 1 100 . ARG . 5871 1 101 . GLU . 5871 1 102 . LEU . 5871 1 103 . MET . 5871 1 104 . SER . 5871 1 105 . LEU . 5871 1 106 . PRO . 5871 1 107 . GLN . 5871 1 108 . GLN . 5871 1 109 . CYS . 5871 1 110 . ASN . 5871 1 111 . PHE . 5871 1 112 . ARG . 5871 1 113 . ALA . 5871 1 114 . PRO . 5871 1 115 . GLN . 5871 1 116 . ARG . 5871 1 117 . CYS . 5871 1 118 . ASP . 5871 1 119 . LEU . 5871 1 120 . ASP . 5871 1 121 . VAL . 5871 1 122 . SER . 5871 1 123 . GLY . 5871 1 124 . GLY . 5871 1 125 . ARG . 5871 1 126 . CYS . 5871 1 127 . SER . 5871 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 . GLY 1 1 5871 1 . PRO 2 2 5871 1 . MET 3 3 5871 1 . ARG 4 4 5871 1 . ARG 5 5 5871 1 . GLU 6 6 5871 1 . ARG 7 7 5871 1 . GLY 8 8 5871 1 . ARG 9 9 5871 1 . GLN 10 10 5871 1 . GLY 11 11 5871 1 . ASP 12 12 5871 1 . SER 13 13 5871 1 . SER 14 14 5871 1 . SER 15 15 5871 1 . CYS 16 16 5871 1 . GLU 17 17 5871 1 . ARG 18 18 5871 1 . GLN 19 19 5871 1 . VAL 20 20 5871 1 . ASP 21 21 5871 1 . ARG 22 22 5871 1 . VAL 23 23 5871 1 . ASN 24 24 5871 1 . LEU 25 25 5871 1 . LYS 26 26 5871 1 . PRO 27 27 5871 1 . CYS 28 28 5871 1 . GLU 29 29 5871 1 . GLN 30 30 5871 1 . HIS 31 31 5871 1 . ILE 32 32 5871 1 . MET 33 33 5871 1 . GLN 34 34 5871 1 . ARG 35 35 5871 1 . ILE 36 36 5871 1 . MET 37 37 5871 1 . GLY 38 38 5871 1 . GLU 39 39 5871 1 . GLN 40 40 5871 1 . GLU 41 41 5871 1 . GLN 42 42 5871 1 . TYR 43 43 5871 1 . ASP 44 44 5871 1 . SER 45 45 5871 1 . TYR 46 46 5871 1 . ASP 47 47 5871 1 . ILE 48 48 5871 1 . ARG 49 49 5871 1 . SER 50 50 5871 1 . THR 51 51 5871 1 . ARG 52 52 5871 1 . SER 53 53 5871 1 . SER 54 54 5871 1 . ASP 55 55 5871 1 . GLN 56 56 5871 1 . GLN 57 57 5871 1 . GLN 58 58 5871 1 . ARG 59 59 5871 1 . CYS 60 60 5871 1 . CYS 61 61 5871 1 . ASP 62 62 5871 1 . GLU 63 63 5871 1 . LEU 64 64 5871 1 . ASN 65 65 5871 1 . GLU 66 66 5871 1 . MET 67 67 5871 1 . GLU 68 68 5871 1 . ASN 69 69 5871 1 . THR 70 70 5871 1 . GLN 71 71 5871 1 . GLY 72 72 5871 1 . CYS 73 73 5871 1 . MET 74 74 5871 1 . CYS 75 75 5871 1 . GLU 76 76 5871 1 . ALA 77 77 5871 1 . LEU 78 78 5871 1 . GLN 79 79 5871 1 . GLN 80 80 5871 1 . ILE 81 81 5871 1 . MET 82 82 5871 1 . GLU 83 83 5871 1 . ASN 84 84 5871 1 . GLN 85 85 5871 1 . CYS 86 86 5871 1 . ASP 87 87 5871 1 . ARG 88 88 5871 1 . LEU 89 89 5871 1 . GLN 90 90 5871 1 . ASP 91 91 5871 1 . ARG 92 92 5871 1 . GLN 93 93 5871 1 . MET 94 94 5871 1 . VAL 95 95 5871 1 . GLN 96 96 5871 1 . GLN 97 97 5871 1 . PHE 98 98 5871 1 . LYS 99 99 5871 1 . ARG 100 100 5871 1 . GLU 101 101 5871 1 . LEU 102 102 5871 1 . MET 103 103 5871 1 . SER 104 104 5871 1 . LEU 105 105 5871 1 . PRO 106 106 5871 1 . GLN 107 107 5871 1 . GLN 108 108 5871 1 . CYS 109 109 5871 1 . ASN 110 110 5871 1 . PHE 111 111 5871 1 . ARG 112 112 5871 1 . ALA 113 113 5871 1 . PRO 114 114 5871 1 . GLN 115 115 5871 1 . ARG 116 116 5871 1 . CYS 117 117 5871 1 . ASP 118 118 5871 1 . LEU 119 119 5871 1 . ASP 120 120 5871 1 . VAL 121 121 5871 1 . SER 122 122 5871 1 . GLY 123 123 5871 1 . GLY 124 124 5871 1 . ARG 125 125 5871 1 . CYS 126 126 5871 1 . SER 127 127 5871 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 5871 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Ara_h_6_monomer . 3818 . . 'Arachis hypogeae' Peanut . . Eukaryota Viridiplantae Arachis hypogeae . . . . . . . . . . . . . . . . . . 'from peanut seed' . . 5871 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 5871 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Ara_h_6_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5871 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5871 _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 'Ara h 6' '[U-13C; NA-L; U-15N]' . . 1 $Ara_h_6_monomer . . . 0.8 1 mM . . . . 5871 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5871 _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* 7.0 0.2 n/a 5871 1 temperature 298 1 K 5871 1 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 5871 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceDRX _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 5871 _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 AvanceDRX . 600 . . . 5871 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 5871 _Experiment_list.ID 1 _Experiment_list.Details . 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 5871 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5871 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5871 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5871 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_CSR_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CSR_1 _Assigned_chem_shift_list.Entry_ID 5871 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5871 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 GLY H H 1 8.62 0.03 . 1 . . . . . . . . 5871 1 2 . 1 1 8 8 GLY HA3 H 1 3.93 0.03 . 2 . . . . . . . . 5871 1 3 . 1 1 8 8 GLY C C 13 175.89 0.3 . 1 . . . . . . . . 5871 1 4 . 1 1 8 8 GLY CA C 13 45.45 0.3 . 1 . . . . . . . . 5871 1 5 . 1 1 8 8 GLY N N 15 110.19 0.3 . 1 . . . . . . . . 5871 1 6 . 1 1 9 9 ARG H H 1 8.24 0.03 . 1 . . . . . . . . 5871 1 7 . 1 1 9 9 ARG HA H 1 4.38 0.03 . 1 . . . . . . . . 5871 1 8 . 1 1 9 9 ARG HB2 H 1 1.80 0.03 . 1 . . . . . . . . 5871 1 9 . 1 1 9 9 ARG HB3 H 1 1.80 0.03 . 1 . . . . . . . . 5871 1 10 . 1 1 9 9 ARG HG3 H 1 1.63 0.03 . 2 . . . . . . . . 5871 1 11 . 1 1 9 9 ARG HD3 H 1 3.19 0.03 . 2 . . . . . . . . 5871 1 12 . 1 1 9 9 ARG C C 13 176.53 0.3 . 1 . . . . . . . . 5871 1 13 . 1 1 9 9 ARG CA C 13 56.26 0.3 . 1 . . . . . . . . 5871 1 14 . 1 1 9 9 ARG CB C 13 30.92 0.3 . 1 . . . . . . . . 5871 1 15 . 1 1 9 9 ARG CG C 13 27.19 0.3 . 1 . . . . . . . . 5871 1 16 . 1 1 9 9 ARG CD C 13 43.32 0.3 . 1 . . . . . . . . 5871 1 17 . 1 1 9 9 ARG N N 15 120.74 0.3 . 1 . . . . . . . . 5871 1 18 . 1 1 10 10 GLN H H 1 8.69 0.03 . 1 . . . . . . . . 5871 1 19 . 1 1 10 10 GLN HA H 1 4.33 0.03 . 1 . . . . . . . . 5871 1 20 . 1 1 10 10 GLN HB2 H 1 2.06 0.03 . 1 . . . . . . . . 5871 1 21 . 1 1 10 10 GLN HB3 H 1 2.06 0.03 . 1 . . . . . . . . 5871 1 22 . 1 1 10 10 GLN HG3 H 1 2.38 0.03 . 2 . . . . . . . . 5871 1 23 . 1 1 10 10 GLN C C 13 175.50 0.3 . 1 . . . . . . . . 5871 1 24 . 1 1 10 10 GLN CA C 13 56.24 0.3 . 1 . . . . . . . . 5871 1 25 . 1 1 10 10 GLN CB C 13 29.31 0.3 . 1 . . . . . . . . 5871 1 26 . 1 1 10 10 GLN CG C 13 33.85 0.3 . 1 . . . . . . . . 5871 1 27 . 1 1 10 10 GLN N N 15 122.04 0.3 . 1 . . . . . . . . 5871 1 28 . 1 1 11 11 GLY H H 1 8.47 0.03 . 1 . . . . . . . . 5871 1 29 . 1 1 11 11 GLY HA2 H 1 3.99 0.03 . 1 . . . . . . . . 5871 1 30 . 1 1 11 11 GLY HA3 H 1 3.99 0.03 . 1 . . . . . . . . 5871 1 31 . 1 1 11 11 GLY C C 13 176.48 0.3 . 1 . . . . . . . . 5871 1 32 . 1 1 11 11 GLY CA C 13 45.31 0.3 . 1 . . . . . . . . 5871 1 33 . 1 1 11 11 GLY N N 15 110.66 0.3 . 1 . . . . . . . . 5871 1 34 . 1 1 12 12 ASP H H 1 8.39 0.03 . 1 . . . . . . . . 5871 1 35 . 1 1 12 12 ASP HA H 1 4.66 0.03 . 1 . . . . . . . . 5871 1 36 . 1 1 12 12 ASP HB3 H 1 2.72 0.03 . 2 . . . . . . . . 5871 1 37 . 1 1 12 12 ASP C C 13 176.88 0.3 . 1 . . . . . . . . 5871 1 38 . 1 1 12 12 ASP CA C 13 54.19 0.3 . 1 . . . . . . . . 5871 1 39 . 1 1 12 12 ASP CB C 13 41.35 0.3 . 1 . . . . . . . . 5871 1 40 . 1 1 12 12 ASP N N 15 120.66 0.3 . 1 . . . . . . . . 5871 1 41 . 1 1 13 13 SER H H 1 8.46 0.03 . 1 . . . . . . . . 5871 1 42 . 1 1 13 13 SER HA H 1 4.45 0.03 . 1 . . . . . . . . 5871 1 43 . 1 1 13 13 SER HB3 H 1 3.88 0.03 . 2 . . . . . . . . 5871 1 44 . 1 1 13 13 SER C C 13 175.01 0.3 . 1 . . . . . . . . 5871 1 45 . 1 1 13 13 SER CA C 13 58.96 0.3 . 1 . . . . . . . . 5871 1 46 . 1 1 13 13 SER CB C 13 63.86 0.3 . 1 . . . . . . . . 5871 1 47 . 1 1 13 13 SER N N 15 116.88 0.3 . 1 . . . . . . . . 5871 1 48 . 1 1 14 14 SER H H 1 8.33 0.03 . 1 . . . . . . . . 5871 1 49 . 1 1 14 14 SER HA H 1 4.54 0.03 . 1 . . . . . . . . 5871 1 50 . 1 1 14 14 SER HB2 H 1 3.92 0.03 . 2 . . . . . . . . 5871 1 51 . 1 1 14 14 SER HB3 H 1 4.14 0.03 . 2 . . . . . . . . 5871 1 52 . 1 1 14 14 SER C C 13 175.09 0.3 . 1 . . . . . . . . 5871 1 53 . 1 1 14 14 SER CA C 13 58.67 0.3 . 1 . . . . . . . . 5871 1 54 . 1 1 14 14 SER CB C 13 64.08 0.3 . 1 . . . . . . . . 5871 1 55 . 1 1 14 14 SER N N 15 117.62 0.3 . 1 . . . . . . . . 5871 1 56 . 1 1 15 15 SER H H 1 8.44 0.03 . 1 . . . . . . . . 5871 1 57 . 1 1 15 15 SER HA H 1 4.36 0.03 . 1 . . . . . . . . 5871 1 58 . 1 1 15 15 SER HB2 H 1 3.99 0.03 . 2 . . . . . . . . 5871 1 59 . 1 1 15 15 SER HB3 H 1 4.12 0.03 . 2 . . . . . . . . 5871 1 60 . 1 1 15 15 SER C C 13 176.48 0.3 . 1 . . . . . . . . 5871 1 61 . 1 1 15 15 SER CA C 13 59.31 0.3 . 1 . . . . . . . . 5871 1 62 . 1 1 15 15 SER CB C 13 63.86 0.3 . 1 . . . . . . . . 5871 1 63 . 1 1 15 15 SER N N 15 117.88 0.3 . 1 . . . . . . . . 5871 1 64 . 1 1 16 16 CYS H H 1 8.97 0.03 . 1 . . . . . . . . 5871 1 65 . 1 1 16 16 CYS HA H 1 4.35 0.03 . 1 . . . . . . . . 5871 1 66 . 1 1 16 16 CYS C C 13 176.60 0.3 . 1 . . . . . . . . 5871 1 67 . 1 1 16 16 CYS CA C 13 56.27 0.3 . 1 . . . . . . . . 5871 1 68 . 1 1 16 16 CYS CB C 13 36.08 0.3 . 1 . . . . . . . . 5871 1 69 . 1 1 16 16 CYS N N 15 119.59 0.3 . 1 . . . . . . . . 5871 1 70 . 1 1 17 17 GLU H H 1 8.74 0.03 . 1 . . . . . . . . 5871 1 71 . 1 1 17 17 GLU HA H 1 3.89 0.03 . 1 . . . . . . . . 5871 1 72 . 1 1 17 17 GLU HB3 H 1 2.06 0.03 . 2 . . . . . . . . 5871 1 73 . 1 1 17 17 GLU HG3 H 1 2.31 0.03 . 2 . . . . . . . . 5871 1 74 . 1 1 17 17 GLU C C 13 178.29 0.3 . 1 . . . . . . . . 5871 1 75 . 1 1 17 17 GLU CA C 13 60.38 0.3 . 1 . . . . . . . . 5871 1 76 . 1 1 17 17 GLU CB C 13 29.20 0.3 . 1 . . . . . . . . 5871 1 77 . 1 1 17 17 GLU CG C 13 36.39 0.3 . 1 . . . . . . . . 5871 1 78 . 1 1 17 17 GLU N N 15 121.86 0.3 . 1 . . . . . . . . 5871 1 79 . 1 1 18 18 ARG H H 1 7.71 0.03 . 1 . . . . . . . . 5871 1 80 . 1 1 18 18 ARG HA H 1 4.18 0.03 . 1 . . . . . . . . 5871 1 81 . 1 1 18 18 ARG HB2 H 1 1.90 0.03 . 2 . . . . . . . . 5871 1 82 . 1 1 18 18 ARG HB3 H 1 2.03 0.03 . 2 . . . . . . . . 5871 1 83 . 1 1 18 18 ARG HG3 H 1 1.72 0.03 . 2 . . . . . . . . 5871 1 84 . 1 1 18 18 ARG HD3 H 1 3.25 0.03 . 2 . . . . . . . . 5871 1 85 . 1 1 18 18 ARG C C 13 178.80 0.3 . 1 . . . . . . . . 5871 1 86 . 1 1 18 18 ARG CA C 13 58.22 0.3 . 1 . . . . . . . . 5871 1 87 . 1 1 18 18 ARG CB C 13 29.89 0.3 . 1 . . . . . . . . 5871 1 88 . 1 1 18 18 ARG CG C 13 27.38 0.3 . 1 . . . . . . . . 5871 1 89 . 1 1 18 18 ARG CD C 13 43.24 0.3 . 1 . . . . . . . . 5871 1 90 . 1 1 18 18 ARG N N 15 117.45 0.3 . 1 . . . . . . . . 5871 1 91 . 1 1 19 19 GLN H H 1 7.93 0.03 . 1 . . . . . . . . 5871 1 92 . 1 1 19 19 GLN HA H 1 4.05 0.03 . 1 . . . . . . . . 5871 1 93 . 1 1 19 19 GLN HB3 H 1 2.20 0.03 . 2 . . . . . . . . 5871 1 94 . 1 1 19 19 GLN HG2 H 1 2.42 0.03 . 2 . . . . . . . . 5871 1 95 . 1 1 19 19 GLN HG3 H 1 2.61 0.03 . 2 . . . . . . . . 5871 1 96 . 1 1 19 19 GLN C C 13 179.27 0.3 . 1 . . . . . . . . 5871 1 97 . 1 1 19 19 GLN CA C 13 59.01 0.3 . 1 . . . . . . . . 5871 1 98 . 1 1 19 19 GLN CB C 13 28.86 0.3 . 1 . . . . . . . . 5871 1 99 . 1 1 19 19 GLN CG C 13 34.54 0.3 . 1 . . . . . . . . 5871 1 100 . 1 1 19 19 GLN N N 15 118.46 0.3 . 1 . . . . . . . . 5871 1 101 . 1 1 20 20 VAL H H 1 8.27 0.03 . 1 . . . . . . . . 5871 1 102 . 1 1 20 20 VAL HA H 1 3.67 0.03 . 1 . . . . . . . . 5871 1 103 . 1 1 20 20 VAL HB H 1 2.13 0.03 . 1 . . . . . . . . 5871 1 104 . 1 1 20 20 VAL HG11 H 1 0.99 0.03 . 2 . . . . . . . . 5871 1 105 . 1 1 20 20 VAL HG12 H 1 0.99 0.03 . 2 . . . . . . . . 5871 1 106 . 1 1 20 20 VAL HG13 H 1 0.99 0.03 . 2 . . . . . . . . 5871 1 107 . 1 1 20 20 VAL HG21 H 1 0.90 0.03 . 2 . . . . . . . . 5871 1 108 . 1 1 20 20 VAL HG22 H 1 0.90 0.03 . 2 . . . . . . . . 5871 1 109 . 1 1 20 20 VAL HG23 H 1 0.90 0.03 . 2 . . . . . . . . 5871 1 110 . 1 1 20 20 VAL C C 13 177.46 0.3 . 1 . . . . . . . . 5871 1 111 . 1 1 20 20 VAL CA C 13 65.80 0.3 . 1 . . . . . . . . 5871 1 112 . 1 1 20 20 VAL CB C 13 31.58 0.3 . 1 . . . . . . . . 5871 1 113 . 1 1 20 20 VAL CG1 C 13 23.65 0.3 . 2 . . . . . . . . 5871 1 114 . 1 1 20 20 VAL CG2 C 13 20.47 0.3 . 2 . . . . . . . . 5871 1 115 . 1 1 20 20 VAL N N 15 119.42 0.3 . 1 . . . . . . . . 5871 1 116 . 1 1 21 21 ASP H H 1 7.61 0.03 . 1 . . . . . . . . 5871 1 117 . 1 1 21 21 ASP HA H 1 4.51 0.03 . 1 . . . . . . . . 5871 1 118 . 1 1 21 21 ASP HB2 H 1 2.68 0.03 . 2 . . . . . . . . 5871 1 119 . 1 1 21 21 ASP HB3 H 1 2.82 0.03 . 2 . . . . . . . . 5871 1 120 . 1 1 21 21 ASP C C 13 177.04 0.3 . 1 . . . . . . . . 5871 1 121 . 1 1 21 21 ASP CA C 13 56.43 0.3 . 1 . . . . . . . . 5871 1 122 . 1 1 21 21 ASP CB C 13 41.55 0.3 . 1 . . . . . . . . 5871 1 123 . 1 1 21 21 ASP N N 15 118.03 0.3 . 1 . . . . . . . . 5871 1 124 . 1 1 22 22 ARG H H 1 7.17 0.03 . 1 . . . . . . . . 5871 1 125 . 1 1 22 22 ARG HA H 1 4.30 0.03 . 1 . . . . . . . . 5871 1 126 . 1 1 22 22 ARG HB2 H 1 1.88 0.03 . 2 . . . . . . . . 5871 1 127 . 1 1 22 22 ARG HB3 H 1 2.05 0.03 . 2 . . . . . . . . 5871 1 128 . 1 1 22 22 ARG HG3 H 1 1.86 0.03 . 2 . . . . . . . . 5871 1 129 . 1 1 22 22 ARG HD3 H 1 3.24 0.03 . 2 . . . . . . . . 5871 1 130 . 1 1 22 22 ARG C C 13 176.67 0.3 . 1 . . . . . . . . 5871 1 131 . 1 1 22 22 ARG CA C 13 56.56 0.3 . 1 . . . . . . . . 5871 1 132 . 1 1 22 22 ARG CB C 13 31.22 0.3 . 1 . . . . . . . . 5871 1 133 . 1 1 22 22 ARG CG C 13 27.61 0.3 . 1 . . . . . . . . 5871 1 134 . 1 1 22 22 ARG CD C 13 43.73 0.3 . 1 . . . . . . . . 5871 1 135 . 1 1 22 22 ARG N N 15 114.86 0.3 . 1 . . . . . . . . 5871 1 136 . 1 1 23 23 VAL H H 1 7.49 0.03 . 1 . . . . . . . . 5871 1 137 . 1 1 23 23 VAL HA H 1 4.34 0.03 . 1 . . . . . . . . 5871 1 138 . 1 1 23 23 VAL HB H 1 2.33 0.03 . 1 . . . . . . . . 5871 1 139 . 1 1 23 23 VAL HG11 H 1 0.91 0.03 . 2 . . . . . . . . 5871 1 140 . 1 1 23 23 VAL HG12 H 1 0.91 0.03 . 2 . . . . . . . . 5871 1 141 . 1 1 23 23 VAL HG13 H 1 0.91 0.03 . 2 . . . . . . . . 5871 1 142 . 1 1 23 23 VAL HG21 H 1 0.99 0.03 . 2 . . . . . . . . 5871 1 143 . 1 1 23 23 VAL HG22 H 1 0.99 0.03 . 2 . . . . . . . . 5871 1 144 . 1 1 23 23 VAL HG23 H 1 0.99 0.03 . 2 . . . . . . . . 5871 1 145 . 1 1 23 23 VAL C C 13 174.45 0.3 . 1 . . . . . . . . 5871 1 146 . 1 1 23 23 VAL CA C 13 61.05 0.3 . 1 . . . . . . . . 5871 1 147 . 1 1 23 23 VAL CB C 13 33.47 0.3 . 1 . . . . . . . . 5871 1 148 . 1 1 23 23 VAL CG1 C 13 22.10 0.3 . 2 . . . . . . . . 5871 1 149 . 1 1 23 23 VAL CG2 C 13 20.08 0.3 . 2 . . . . . . . . 5871 1 150 . 1 1 23 23 VAL N N 15 117.41 0.3 . 1 . . . . . . . . 5871 1 151 . 1 1 24 24 ASN H H 1 8.56 0.03 . 1 . . . . . . . . 5871 1 152 . 1 1 24 24 ASN HA H 1 4.89 0.03 . 1 . . . . . . . . 5871 1 153 . 1 1 24 24 ASN HB2 H 1 2.70 0.03 . 2 . . . . . . . . 5871 1 154 . 1 1 24 24 ASN HB3 H 1 2.96 0.03 . 2 . . . . . . . . 5871 1 155 . 1 1 24 24 ASN C C 13 174.47 0.3 . 1 . . . . . . . . 5871 1 156 . 1 1 24 24 ASN CA C 13 51.35 0.3 . 1 . . . . . . . . 5871 1 157 . 1 1 24 24 ASN CB C 13 37.90 0.3 . 1 . . . . . . . . 5871 1 158 . 1 1 24 24 ASN N N 15 121.51 0.3 . 1 . . . . . . . . 5871 1 159 . 1 1 25 25 LEU H H 1 8.52 0.03 . 1 . . . . . . . . 5871 1 160 . 1 1 25 25 LEU HA H 1 4.25 0.03 . 1 . . . . . . . . 5871 1 161 . 1 1 25 25 LEU HD11 H 1 0.88 0.03 . 2 . . . . . . . . 5871 1 162 . 1 1 25 25 LEU HD12 H 1 0.88 0.03 . 2 . . . . . . . . 5871 1 163 . 1 1 25 25 LEU HD13 H 1 0.88 0.03 . 2 . . . . . . . . 5871 1 164 . 1 1 25 25 LEU HD21 H 1 0.71 0.03 . 2 . . . . . . . . 5871 1 165 . 1 1 25 25 LEU HD22 H 1 0.71 0.03 . 2 . . . . . . . . 5871 1 166 . 1 1 25 25 LEU HD23 H 1 0.71 0.03 . 2 . . . . . . . . 5871 1 167 . 1 1 25 25 LEU N N 15 120.75 0.3 . 1 . . . . . . . . 5871 1 168 . 1 1 26 26 LYS H H 1 7.88 0.03 . 1 . . . . . . . . 5871 1 169 . 1 1 26 26 LYS HA H 1 4.15 0.03 . 1 . . . . . . . . 5871 1 170 . 1 1 26 26 LYS HB2 H 1 1.88 0.03 . 2 . . . . . . . . 5871 1 171 . 1 1 26 26 LYS HB3 H 1 2.07 0.03 . 2 . . . . . . . . 5871 1 172 . 1 1 26 26 LYS HG2 H 1 1.58 0.03 . 2 . . . . . . . . 5871 1 173 . 1 1 26 26 LYS HG3 H 1 1.73 0.03 . 2 . . . . . . . . 5871 1 174 . 1 1 26 26 LYS HD2 H 1 1.70 0.03 . 1 . . . . . . . . 5871 1 175 . 1 1 26 26 LYS HD3 H 1 1.70 0.03 . 1 . . . . . . . . 5871 1 176 . 1 1 26 26 LYS HE2 H 1 2.86 0.03 . 2 . . . . . . . . 5871 1 177 . 1 1 26 26 LYS HE3 H 1 2.97 0.03 . 2 . . . . . . . . 5871 1 178 . 1 1 26 26 LYS CA C 13 60.83 0.3 . 1 . . . . . . . . 5871 1 179 . 1 1 26 26 LYS CB C 13 29.32 0.3 . 1 . . . . . . . . 5871 1 180 . 1 1 26 26 LYS CG C 13 25.02 0.3 . 1 . . . . . . . . 5871 1 181 . 1 1 26 26 LYS CD C 13 29.58 0.3 . 1 . . . . . . . . 5871 1 182 . 1 1 26 26 LYS CE C 13 41.88 0.3 . 1 . . . . . . . . 5871 1 183 . 1 1 26 26 LYS N N 15 121.79 0.3 . 1 . . . . . . . . 5871 1 184 . 1 1 27 27 PRO HA H 1 4.47 0.03 . 1 . . . . . . . . 5871 1 185 . 1 1 27 27 PRO HB2 H 1 1.65 0.03 . 2 . . . . . . . . 5871 1 186 . 1 1 27 27 PRO HB3 H 1 2.33 0.03 . 2 . . . . . . . . 5871 1 187 . 1 1 27 27 PRO HG2 H 1 1.94 0.03 . 1 . . . . . . . . 5871 1 188 . 1 1 27 27 PRO HG3 H 1 1.94 0.03 . 1 . . . . . . . . 5871 1 189 . 1 1 27 27 PRO HD2 H 1 3.41 0.03 . 2 . . . . . . . . 5871 1 190 . 1 1 27 27 PRO HD3 H 1 3.80 0.03 . 2 . . . . . . . . 5871 1 191 . 1 1 27 27 PRO C C 13 179.05 0.3 . 1 . . . . . . . . 5871 1 192 . 1 1 27 27 PRO CA C 13 65.91 0.3 . 1 . . . . . . . . 5871 1 193 . 1 1 27 27 PRO CB C 13 31.34 0.3 . 1 . . . . . . . . 5871 1 194 . 1 1 27 27 PRO CG C 13 28.58 0.3 . 1 . . . . . . . . 5871 1 195 . 1 1 27 27 PRO CD C 13 49.81 0.3 . 1 . . . . . . . . 5871 1 196 . 1 1 28 28 CYS H H 1 7.39 0.03 . 1 . . . . . . . . 5871 1 197 . 1 1 28 28 CYS HA H 1 4.53 0.03 . 1 . . . . . . . . 5871 1 198 . 1 1 28 28 CYS HB2 H 1 3.22 0.03 . 2 . . . . . . . . 5871 1 199 . 1 1 28 28 CYS HB3 H 1 2.95 0.03 . 2 . . . . . . . . 5871 1 200 . 1 1 28 28 CYS C C 13 176.23 0.3 . 1 . . . . . . . . 5871 1 201 . 1 1 28 28 CYS CA C 13 56.74 0.3 . 1 . . . . . . . . 5871 1 202 . 1 1 28 28 CYS CB C 13 40.87 0.3 . 1 . . . . . . . . 5871 1 203 . 1 1 28 28 CYS N N 15 113.49 0.3 . 1 . . . . . . . . 5871 1 204 . 1 1 29 29 GLU H H 1 8.10 0.03 . 1 . . . . . . . . 5871 1 205 . 1 1 29 29 GLU HA H 1 3.76 0.03 . 1 . . . . . . . . 5871 1 206 . 1 1 29 29 GLU HB2 H 1 2.17 0.03 . 2 . . . . . . . . 5871 1 207 . 1 1 29 29 GLU HB3 H 1 2.45 0.03 . 2 . . . . . . . . 5871 1 208 . 1 1 29 29 GLU HG3 H 1 2.44 0.03 . 2 . . . . . . . . 5871 1 209 . 1 1 29 29 GLU C C 13 178.21 0.3 . 1 . . . . . . . . 5871 1 210 . 1 1 29 29 GLU CA C 13 60.45 0.3 . 1 . . . . . . . . 5871 1 211 . 1 1 29 29 GLU CB C 13 30.38 0.3 . 1 . . . . . . . . 5871 1 212 . 1 1 29 29 GLU CG C 13 37.68 0.3 . 1 . . . . . . . . 5871 1 213 . 1 1 29 29 GLU N N 15 120.69 0.3 . 1 . . . . . . . . 5871 1 214 . 1 1 30 30 GLN H H 1 8.39 0.03 . 1 . . . . . . . . 5871 1 215 . 1 1 30 30 GLN HA H 1 3.96 0.03 . 1 . . . . . . . . 5871 1 216 . 1 1 30 30 GLN HB2 H 1 2.07 0.03 . 1 . . . . . . . . 5871 1 217 . 1 1 30 30 GLN HB3 H 1 2.07 0.03 . 1 . . . . . . . . 5871 1 218 . 1 1 30 30 GLN HG2 H 1 2.38 0.03 . 2 . . . . . . . . 5871 1 219 . 1 1 30 30 GLN HG3 H 1 2.46 0.03 . 2 . . . . . . . . 5871 1 220 . 1 1 30 30 GLN C C 13 178.38 0.3 . 1 . . . . . . . . 5871 1 221 . 1 1 30 30 GLN CA C 13 58.74 0.3 . 1 . . . . . . . . 5871 1 222 . 1 1 30 30 GLN CB C 13 28.57 0.3 . 1 . . . . . . . . 5871 1 223 . 1 1 30 30 GLN CG C 13 34.04 0.3 . 1 . . . . . . . . 5871 1 224 . 1 1 30 30 GLN N N 15 115.77 0.3 . 1 . . . . . . . . 5871 1 225 . 1 1 31 31 HIS H H 1 8.15 0.03 . 1 . . . . . . . . 5871 1 226 . 1 1 31 31 HIS HA H 1 3.14 0.03 . 1 . . . . . . . . 5871 1 227 . 1 1 31 31 HIS HB2 H 1 1.59 0.03 . 1 . . . . . . . . 5871 1 228 . 1 1 31 31 HIS HB3 H 1 1.59 0.03 . 1 . . . . . . . . 5871 1 229 . 1 1 31 31 HIS HD2 H 1 6.62 0.03 . 1 . . . . . . . . 5871 1 230 . 1 1 31 31 HIS HE1 H 1 7.69 0.03 . 1 . . . . . . . . 5871 1 231 . 1 1 31 31 HIS C C 13 176.43 0.3 . 1 . . . . . . . . 5871 1 232 . 1 1 31 31 HIS CA C 13 59.51 0.3 . 1 . . . . . . . . 5871 1 233 . 1 1 31 31 HIS CB C 13 31.37 0.3 . 1 . . . . . . . . 5871 1 234 . 1 1 31 31 HIS CD2 C 13 116.90 0.3 . 1 . . . . . . . . 5871 1 235 . 1 1 31 31 HIS N N 15 119.58 0.3 . 1 . . . . . . . . 5871 1 236 . 1 1 32 32 ILE H H 1 7.82 0.03 . 1 . . . . . . . . 5871 1 237 . 1 1 32 32 ILE HA H 1 3.10 0.03 . 1 . . . . . . . . 5871 1 238 . 1 1 32 32 ILE HB H 1 1.58 0.03 . 1 . . . . . . . . 5871 1 239 . 1 1 32 32 ILE HG12 H 1 1.33 0.03 . 2 . . . . . . . . 5871 1 240 . 1 1 32 32 ILE HG13 H 1 1.21 0.03 . 2 . . . . . . . . 5871 1 241 . 1 1 32 32 ILE HG21 H 1 0.06 0.03 . 1 . . . . . . . . 5871 1 242 . 1 1 32 32 ILE HG22 H 1 0.06 0.03 . 1 . . . . . . . . 5871 1 243 . 1 1 32 32 ILE HG23 H 1 0.06 0.03 . 1 . . . . . . . . 5871 1 244 . 1 1 32 32 ILE HD11 H 1 0.57 0.03 . 1 . . . . . . . . 5871 1 245 . 1 1 32 32 ILE HD12 H 1 0.57 0.03 . 1 . . . . . . . . 5871 1 246 . 1 1 32 32 ILE HD13 H 1 0.57 0.03 . 1 . . . . . . . . 5871 1 247 . 1 1 32 32 ILE C C 13 178.02 0.3 . 1 . . . . . . . . 5871 1 248 . 1 1 32 32 ILE CA C 13 64.60 0.3 . 1 . . . . . . . . 5871 1 249 . 1 1 32 32 ILE CB C 13 36.49 0.3 . 1 . . . . . . . . 5871 1 250 . 1 1 32 32 ILE CG1 C 13 27.90 0.3 . 1 . . . . . . . . 5871 1 251 . 1 1 32 32 ILE CG2 C 13 18.05 0.3 . 1 . . . . . . . . 5871 1 252 . 1 1 32 32 ILE CD1 C 13 13.05 0.3 . 1 . . . . . . . . 5871 1 253 . 1 1 32 32 ILE N N 15 116.46 0.3 . 1 . . . . . . . . 5871 1 254 . 1 1 33 33 MET H H 1 7.97 0.03 . 1 . . . . . . . . 5871 1 255 . 1 1 33 33 MET HA H 1 4.40 0.03 . 1 . . . . . . . . 5871 1 256 . 1 1 33 33 MET HB2 H 1 2.06 0.03 . 2 . . . . . . . . 5871 1 257 . 1 1 33 33 MET HB3 H 1 2.18 0.03 . 2 . . . . . . . . 5871 1 258 . 1 1 33 33 MET HG2 H 1 2.70 0.03 . 2 . . . . . . . . 5871 1 259 . 1 1 33 33 MET HG3 H 1 2.80 0.03 . 2 . . . . . . . . 5871 1 260 . 1 1 33 33 MET HE1 H 1 2.03 0.03 . 1 . . . . . . . . 5871 1 261 . 1 1 33 33 MET HE2 H 1 2.03 0.03 . 1 . . . . . . . . 5871 1 262 . 1 1 33 33 MET HE3 H 1 2.03 0.03 . 1 . . . . . . . . 5871 1 263 . 1 1 33 33 MET C C 13 178.94 0.3 . 1 . . . . . . . . 5871 1 264 . 1 1 33 33 MET CA C 13 57.18 0.3 . 1 . . . . . . . . 5871 1 265 . 1 1 33 33 MET CB C 13 30.79 0.3 . 1 . . . . . . . . 5871 1 266 . 1 1 33 33 MET CG C 13 32.34 0.3 . 1 . . . . . . . . 5871 1 267 . 1 1 33 33 MET CE C 13 16.61 0.3 . 1 . . . . . . . . 5871 1 268 . 1 1 33 33 MET N N 15 115.91 0.3 . 1 . . . . . . . . 5871 1 269 . 1 1 34 34 GLN H H 1 8.23 0.03 . 1 . . . . . . . . 5871 1 270 . 1 1 34 34 GLN HA H 1 3.99 0.03 . 1 . . . . . . . . 5871 1 271 . 1 1 34 34 GLN HB2 H 1 2.10 0.03 . 2 . . . . . . . . 5871 1 272 . 1 1 34 34 GLN HB3 H 1 2.23 0.03 . 2 . . . . . . . . 5871 1 273 . 1 1 34 34 GLN HG2 H 1 2.40 0.03 . 2 . . . . . . . . 5871 1 274 . 1 1 34 34 GLN HG3 H 1 2.61 0.03 . 2 . . . . . . . . 5871 1 275 . 1 1 34 34 GLN C C 13 179.25 0.3 . 1 . . . . . . . . 5871 1 276 . 1 1 34 34 GLN CA C 13 58.76 0.3 . 1 . . . . . . . . 5871 1 277 . 1 1 34 34 GLN CB C 13 27.73 0.3 . 1 . . . . . . . . 5871 1 278 . 1 1 34 34 GLN CG C 13 34.35 0.3 . 1 . . . . . . . . 5871 1 279 . 1 1 34 34 GLN N N 15 118.61 0.3 . 1 . . . . . . . . 5871 1 280 . 1 1 35 35 ARG H H 1 7.69 0.03 . 1 . . . . . . . . 5871 1 281 . 1 1 35 35 ARG HA H 1 3.93 0.03 . 1 . . . . . . . . 5871 1 282 . 1 1 35 35 ARG HB2 H 1 1.58 0.03 . 2 . . . . . . . . 5871 1 283 . 1 1 35 35 ARG HB3 H 1 1.84 0.03 . 2 . . . . . . . . 5871 1 284 . 1 1 35 35 ARG HG3 H 1 1.33 0.03 . 2 . . . . . . . . 5871 1 285 . 1 1 35 35 ARG HD2 H 1 2.85 0.03 . 2 . . . . . . . . 5871 1 286 . 1 1 35 35 ARG HD3 H 1 2.96 0.03 . 2 . . . . . . . . 5871 1 287 . 1 1 35 35 ARG C C 13 179.12 0.3 . 1 . . . . . . . . 5871 1 288 . 1 1 35 35 ARG CA C 13 58.17 0.3 . 1 . . . . . . . . 5871 1 289 . 1 1 35 35 ARG CB C 13 29.51 0.3 . 1 . . . . . . . . 5871 1 290 . 1 1 35 35 ARG CG C 13 26.88 0.3 . 1 . . . . . . . . 5871 1 291 . 1 1 35 35 ARG CD C 13 42.49 0.3 . 1 . . . . . . . . 5871 1 292 . 1 1 35 35 ARG N N 15 118.98 0.3 . 1 . . . . . . . . 5871 1 293 . 1 1 36 36 ILE H H 1 7.82 0.03 . 1 . . . . . . . . 5871 1 294 . 1 1 36 36 ILE HA H 1 4.19 0.03 . 1 . . . . . . . . 5871 1 295 . 1 1 36 36 ILE HB H 1 2.03 0.03 . 1 . . . . . . . . 5871 1 296 . 1 1 36 36 ILE HG13 H 1 1.51 0.03 . 2 . . . . . . . . 5871 1 297 . 1 1 36 36 ILE HG21 H 1 0.87 0.03 . 1 . . . . . . . . 5871 1 298 . 1 1 36 36 ILE HG22 H 1 0.87 0.03 . 1 . . . . . . . . 5871 1 299 . 1 1 36 36 ILE HG23 H 1 0.87 0.03 . 1 . . . . . . . . 5871 1 300 . 1 1 36 36 ILE HD11 H 1 0.94 0.03 . 1 . . . . . . . . 5871 1 301 . 1 1 36 36 ILE HD12 H 1 0.94 0.03 . 1 . . . . . . . . 5871 1 302 . 1 1 36 36 ILE HD13 H 1 0.94 0.03 . 1 . . . . . . . . 5871 1 303 . 1 1 36 36 ILE C C 13 177.34 0.3 . 1 . . . . . . . . 5871 1 304 . 1 1 36 36 ILE CA C 13 63.28 0.3 . 1 . . . . . . . . 5871 1 305 . 1 1 36 36 ILE CB C 13 38.19 0.3 . 1 . . . . . . . . 5871 1 306 . 1 1 36 36 ILE CG1 C 13 27.31 0.3 . 1 . . . . . . . . 5871 1 307 . 1 1 36 36 ILE CG2 C 13 17.74 0.3 . 1 . . . . . . . . 5871 1 308 . 1 1 36 36 ILE CD1 C 13 14.69 0.3 . 1 . . . . . . . . 5871 1 309 . 1 1 36 36 ILE N N 15 114.00 0.3 . 1 . . . . . . . . 5871 1 310 . 1 1 37 37 MET H H 1 8.08 0.03 . 1 . . . . . . . . 5871 1 311 . 1 1 37 37 MET HA H 1 4.52 0.03 . 1 . . . . . . . . 5871 1 312 . 1 1 37 37 MET HB3 H 1 2.14 0.03 . 2 . . . . . . . . 5871 1 313 . 1 1 37 37 MET HG3 H 1 2.67 0.03 . 2 . . . . . . . . 5871 1 314 . 1 1 37 37 MET HE1 H 1 2.10 0.03 . 1 . . . . . . . . 5871 1 315 . 1 1 37 37 MET HE2 H 1 2.10 0.03 . 1 . . . . . . . . 5871 1 316 . 1 1 37 37 MET HE3 H 1 2.10 0.03 . 1 . . . . . . . . 5871 1 317 . 1 1 37 37 MET C C 13 177.47 0.3 . 1 . . . . . . . . 5871 1 318 . 1 1 37 37 MET CA C 13 56.18 0.3 . 1 . . . . . . . . 5871 1 319 . 1 1 37 37 MET CB C 13 32.55 0.3 . 1 . . . . . . . . 5871 1 320 . 1 1 37 37 MET CG C 13 32.54 0.3 . 1 . . . . . . . . 5871 1 321 . 1 1 37 37 MET CE C 13 16.78 0.3 . 1 . . . . . . . . 5871 1 322 . 1 1 37 37 MET N N 15 118.70 0.3 . 1 . . . . . . . . 5871 1 323 . 1 1 38 38 GLY H H 1 7.85 0.03 . 1 . . . . . . . . 5871 1 324 . 1 1 38 38 GLY HA2 H 1 4.00 0.03 . 1 . . . . . . . . 5871 1 325 . 1 1 38 38 GLY HA3 H 1 4.00 0.03 . 1 . . . . . . . . 5871 1 326 . 1 1 38 38 GLY C C 13 174.29 0.3 . 1 . . . . . . . . 5871 1 327 . 1 1 38 38 GLY CA C 13 46.12 0.3 . 1 . . . . . . . . 5871 1 328 . 1 1 38 38 GLY N N 15 108.17 0.3 . 1 . . . . . . . . 5871 1 329 . 1 1 39 39 GLU H H 1 8.18 0.03 . 1 . . . . . . . . 5871 1 330 . 1 1 39 39 GLU HA H 1 4.27 0.03 . 1 . . . . . . . . 5871 1 331 . 1 1 39 39 GLU HB2 H 1 1.93 0.03 . 2 . . . . . . . . 5871 1 332 . 1 1 39 39 GLU HB3 H 1 2.06 0.03 . 2 . . . . . . . . 5871 1 333 . 1 1 39 39 GLU HG3 H 1 2.25 0.03 . 2 . . . . . . . . 5871 1 334 . 1 1 39 39 GLU C C 13 176.60 0.3 . 1 . . . . . . . . 5871 1 335 . 1 1 39 39 GLU CA C 13 56.79 0.3 . 1 . . . . . . . . 5871 1 336 . 1 1 39 39 GLU CB C 13 30.37 0.3 . 1 . . . . . . . . 5871 1 337 . 1 1 39 39 GLU CG C 13 36.17 0.3 . 1 . . . . . . . . 5871 1 338 . 1 1 39 39 GLU N N 15 120.01 0.3 . 1 . . . . . . . . 5871 1 339 . 1 1 40 40 GLN H H 1 8.30 0.03 . 1 . . . . . . . . 5871 1 340 . 1 1 40 40 GLN HA H 1 4.30 0.03 . 1 . . . . . . . . 5871 1 341 . 1 1 40 40 GLN HB2 H 1 1.96 0.03 . 2 . . . . . . . . 5871 1 342 . 1 1 40 40 GLN HB3 H 1 2.11 0.03 . 2 . . . . . . . . 5871 1 343 . 1 1 40 40 GLN HG3 H 1 2.35 0.03 . 2 . . . . . . . . 5871 1 344 . 1 1 40 40 GLN CA C 13 55.91 0.3 . 1 . . . . . . . . 5871 1 345 . 1 1 40 40 GLN CB C 13 29.30 0.3 . 1 . . . . . . . . 5871 1 346 . 1 1 40 40 GLN CG C 13 33.77 0.3 . 1 . . . . . . . . 5871 1 347 . 1 1 40 40 GLN N N 15 120.71 0.3 . 1 . . . . . . . . 5871 1 348 . 1 1 41 41 GLU H H 1 8.35 0.03 . 1 . . . . . . . . 5871 1 349 . 1 1 41 41 GLU C C 13 175.91 0.3 . 1 . . . . . . . . 5871 1 350 . 1 1 41 41 GLU CA C 13 56.80 0.3 . 1 . . . . . . . . 5871 1 351 . 1 1 41 41 GLU CB C 13 30.44 0.3 . 1 . . . . . . . . 5871 1 352 . 1 1 41 41 GLU N N 15 121.96 0.3 . 1 . . . . . . . . 5871 1 353 . 1 1 42 42 GLN H H 1 8.21 0.03 . 1 . . . . . . . . 5871 1 354 . 1 1 42 42 GLN C C 13 174.54 0.3 . 1 . . . . . . . . 5871 1 355 . 1 1 42 42 GLN CA C 13 55.56 0.3 . 1 . . . . . . . . 5871 1 356 . 1 1 42 42 GLN CB C 13 29.86 0.3 . 1 . . . . . . . . 5871 1 357 . 1 1 42 42 GLN N N 15 121.12 0.3 . 1 . . . . . . . . 5871 1 358 . 1 1 43 43 TYR H H 1 7.77 0.03 . 1 . . . . . . . . 5871 1 359 . 1 1 43 43 TYR HE1 H 1 6.80 0.03 . 1 . . . . . . . . 5871 1 360 . 1 1 43 43 TYR HE2 H 1 6.80 0.03 . 1 . . . . . . . . 5871 1 361 . 1 1 43 43 TYR CA C 13 59.12 0.3 . 1 . . . . . . . . 5871 1 362 . 1 1 43 43 TYR CB C 13 39.53 0.3 . 1 . . . . . . . . 5871 1 363 . 1 1 43 43 TYR N N 15 126.79 0.3 . 1 . . . . . . . . 5871 1 364 . 1 1 45 45 SER H H 1 7.66 0.03 . 1 . . . . . . . . 5871 1 365 . 1 1 45 45 SER C C 13 176.21 0.3 . 1 . . . . . . . . 5871 1 366 . 1 1 45 45 SER CA C 13 63.70 0.3 . 1 . . . . . . . . 5871 1 367 . 1 1 45 45 SER N N 15 125.04 0.3 . 1 . . . . . . . . 5871 1 368 . 1 1 46 46 TYR H H 1 8.57 0.03 . 1 . . . . . . . . 5871 1 369 . 1 1 46 46 TYR HE1 H 1 6.80 0.03 . 1 . . . . . . . . 5871 1 370 . 1 1 46 46 TYR HE2 H 1 6.80 0.03 . 1 . . . . . . . . 5871 1 371 . 1 1 46 46 TYR CB C 13 43.96 0.3 . 1 . . . . . . . . 5871 1 372 . 1 1 46 46 TYR N N 15 126.01 0.3 . 1 . . . . . . . . 5871 1 373 . 1 1 48 48 ILE H H 1 8.44 0.03 . 1 . . . . . . . . 5871 1 374 . 1 1 48 48 ILE HA H 1 4.20 0.03 . 1 . . . . . . . . 5871 1 375 . 1 1 48 48 ILE HB H 1 1.87 0.03 . 1 . . . . . . . . 5871 1 376 . 1 1 48 48 ILE HG12 H 1 1.45 0.03 . 2 . . . . . . . . 5871 1 377 . 1 1 48 48 ILE HG13 H 1 1.20 0.03 . 2 . . . . . . . . 5871 1 378 . 1 1 48 48 ILE HG21 H 1 0.90 0.03 . 1 . . . . . . . . 5871 1 379 . 1 1 48 48 ILE HG22 H 1 0.90 0.03 . 1 . . . . . . . . 5871 1 380 . 1 1 48 48 ILE HG23 H 1 0.90 0.03 . 1 . . . . . . . . 5871 1 381 . 1 1 48 48 ILE HD11 H 1 0.85 0.03 . 1 . . . . . . . . 5871 1 382 . 1 1 48 48 ILE HD12 H 1 0.85 0.03 . 1 . . . . . . . . 5871 1 383 . 1 1 48 48 ILE HD13 H 1 0.85 0.03 . 1 . . . . . . . . 5871 1 384 . 1 1 48 48 ILE C C 13 176.21 0.3 . 1 . . . . . . . . 5871 1 385 . 1 1 48 48 ILE CA C 13 61.86 0.3 . 1 . . . . . . . . 5871 1 386 . 1 1 48 48 ILE CB C 13 38.79 0.3 . 1 . . . . . . . . 5871 1 387 . 1 1 48 48 ILE CG1 C 13 27.40 0.3 . 1 . . . . . . . . 5871 1 388 . 1 1 48 48 ILE CG2 C 13 17.80 0.3 . 1 . . . . . . . . 5871 1 389 . 1 1 48 48 ILE CD1 C 13 13.32 0.3 . 1 . . . . . . . . 5871 1 390 . 1 1 48 48 ILE N N 15 125.30 0.3 . 1 . . . . . . . . 5871 1 391 . 1 1 49 49 ARG H H 1 8.40 0.03 . 1 . . . . . . . . 5871 1 392 . 1 1 49 49 ARG HA H 1 4.36 0.03 . 1 . . . . . . . . 5871 1 393 . 1 1 49 49 ARG HB3 H 1 1.80 0.03 . 2 . . . . . . . . 5871 1 394 . 1 1 49 49 ARG HG3 H 1 1.62 0.03 . 2 . . . . . . . . 5871 1 395 . 1 1 49 49 ARG HD3 H 1 3.18 0.03 . 2 . . . . . . . . 5871 1 396 . 1 1 49 49 ARG C C 13 176.53 0.3 . 1 . . . . . . . . 5871 1 397 . 1 1 49 49 ARG CA C 13 56.35 0.3 . 1 . . . . . . . . 5871 1 398 . 1 1 49 49 ARG CB C 13 30.77 0.3 . 1 . . . . . . . . 5871 1 399 . 1 1 49 49 ARG CG C 13 27.16 0.3 . 1 . . . . . . . . 5871 1 400 . 1 1 49 49 ARG CD C 13 43.47 0.3 . 1 . . . . . . . . 5871 1 401 . 1 1 49 49 ARG N N 15 124.45 0.3 . 1 . . . . . . . . 5871 1 402 . 1 1 50 50 SER H H 1 8.33 0.03 . 1 . . . . . . . . 5871 1 403 . 1 1 50 50 SER HA H 1 4.51 0.03 . 1 . . . . . . . . 5871 1 404 . 1 1 50 50 SER HB3 H 1 3.91 0.03 . 2 . . . . . . . . 5871 1 405 . 1 1 50 50 SER C C 13 175.06 0.3 . 1 . . . . . . . . 5871 1 406 . 1 1 50 50 SER CA C 13 58.63 0.3 . 1 . . . . . . . . 5871 1 407 . 1 1 50 50 SER CB C 13 63.81 0.3 . 1 . . . . . . . . 5871 1 408 . 1 1 50 50 SER N N 15 117.04 0.3 . 1 . . . . . . . . 5871 1 409 . 1 1 51 51 THR H H 1 8.21 0.03 . 1 . . . . . . . . 5871 1 410 . 1 1 51 51 THR HA H 1 4.34 0.03 . 1 . . . . . . . . 5871 1 411 . 1 1 51 51 THR HB H 1 4.26 0.03 . 1 . . . . . . . . 5871 1 412 . 1 1 51 51 THR HG21 H 1 1.21 0.03 . 1 . . . . . . . . 5871 1 413 . 1 1 51 51 THR HG22 H 1 1.21 0.03 . 1 . . . . . . . . 5871 1 414 . 1 1 51 51 THR HG23 H 1 1.21 0.03 . 1 . . . . . . . . 5871 1 415 . 1 1 51 51 THR C C 13 176.51 0.3 . 1 . . . . . . . . 5871 1 416 . 1 1 51 51 THR CA C 13 62.17 0.3 . 1 . . . . . . . . 5871 1 417 . 1 1 51 51 THR CB C 13 69.81 0.3 . 1 . . . . . . . . 5871 1 418 . 1 1 51 51 THR N N 15 116.26 0.3 . 1 . . . . . . . . 5871 1 419 . 1 1 52 52 ARG H H 1 8.32 0.03 . 1 . . . . . . . . 5871 1 420 . 1 1 52 52 ARG HA H 1 4.34 0.03 . 1 . . . . . . . . 5871 1 421 . 1 1 52 52 ARG HB3 H 1 1.83 0.03 . 2 . . . . . . . . 5871 1 422 . 1 1 52 52 ARG HG3 H 1 1.63 0.03 . 2 . . . . . . . . 5871 1 423 . 1 1 52 52 ARG HD3 H 1 3.18 0.03 . 2 . . . . . . . . 5871 1 424 . 1 1 52 52 ARG C C 13 176.76 0.3 . 1 . . . . . . . . 5871 1 425 . 1 1 52 52 ARG CA C 13 56.62 0.3 . 1 . . . . . . . . 5871 1 426 . 1 1 52 52 ARG CB C 13 30.75 0.3 . 1 . . . . . . . . 5871 1 427 . 1 1 52 52 ARG CG C 13 27.15 0.3 . 1 . . . . . . . . 5871 1 428 . 1 1 52 52 ARG CD C 13 43.33 0.3 . 1 . . . . . . . . 5871 1 429 . 1 1 52 52 ARG N N 15 123.17 0.3 . 1 . . . . . . . . 5871 1 430 . 1 1 53 53 SER H H 1 8.41 0.03 . 1 . . . . . . . . 5871 1 431 . 1 1 53 53 SER HA H 1 4.54 0.03 . 1 . . . . . . . . 5871 1 432 . 1 1 53 53 SER HB3 H 1 3.92 0.03 . 2 . . . . . . . . 5871 1 433 . 1 1 53 53 SER C C 13 174.84 0.3 . 1 . . . . . . . . 5871 1 434 . 1 1 53 53 SER CA C 13 58.72 0.3 . 1 . . . . . . . . 5871 1 435 . 1 1 53 53 SER CB C 13 63.88 0.3 . 1 . . . . . . . . 5871 1 436 . 1 1 53 53 SER N N 15 117.34 0.3 . 1 . . . . . . . . 5871 1 437 . 1 1 54 54 SER H H 1 8.54 0.03 . 1 . . . . . . . . 5871 1 438 . 1 1 54 54 SER HA H 1 4.52 0.03 . 1 . . . . . . . . 5871 1 439 . 1 1 54 54 SER HB2 H 1 3.91 0.03 . 2 . . . . . . . . 5871 1 440 . 1 1 54 54 SER HB3 H 1 4.03 0.03 . 2 . . . . . . . . 5871 1 441 . 1 1 54 54 SER C C 13 174.86 0.3 . 1 . . . . . . . . 5871 1 442 . 1 1 54 54 SER CA C 13 58.57 0.3 . 1 . . . . . . . . 5871 1 443 . 1 1 54 54 SER CB C 13 64.17 0.3 . 1 . . . . . . . . 5871 1 444 . 1 1 54 54 SER N N 15 118.12 0.3 . 1 . . . . . . . . 5871 1 445 . 1 1 55 55 ASP H H 1 8.41 0.03 . 1 . . . . . . . . 5871 1 446 . 1 1 55 55 ASP HA H 1 4.55 0.03 . 1 . . . . . . . . 5871 1 447 . 1 1 55 55 ASP HB3 H 1 2.74 0.03 . 2 . . . . . . . . 5871 1 448 . 1 1 55 55 ASP C C 13 177.33 0.3 . 1 . . . . . . . . 5871 1 449 . 1 1 55 55 ASP CA C 13 55.71 0.3 . 1 . . . . . . . . 5871 1 450 . 1 1 55 55 ASP CB C 13 40.98 0.3 . 1 . . . . . . . . 5871 1 451 . 1 1 55 55 ASP N N 15 123.06 0.3 . 1 . . . . . . . . 5871 1 452 . 1 1 56 56 GLN H H 1 8.45 0.03 . 1 . . . . . . . . 5871 1 453 . 1 1 56 56 GLN HA H 1 4.03 0.03 . 1 . . . . . . . . 5871 1 454 . 1 1 56 56 GLN HB3 H 1 2.21 0.03 . 2 . . . . . . . . 5871 1 455 . 1 1 56 56 GLN HG3 H 1 2.53 0.03 . 2 . . . . . . . . 5871 1 456 . 1 1 56 56 GLN C C 13 178.63 0.3 . 1 . . . . . . . . 5871 1 457 . 1 1 56 56 GLN CA C 13 59.02 0.3 . 1 . . . . . . . . 5871 1 458 . 1 1 56 56 GLN CB C 13 28.60 0.3 . 1 . . . . . . . . 5871 1 459 . 1 1 56 56 GLN CG C 13 34.07 0.3 . 1 . . . . . . . . 5871 1 460 . 1 1 56 56 GLN N N 15 120.11 0.3 . 1 . . . . . . . . 5871 1 461 . 1 1 57 57 GLN H H 1 7.98 0.03 . 1 . . . . . . . . 5871 1 462 . 1 1 57 57 GLN HA H 1 4.04 0.03 . 1 . . . . . . . . 5871 1 463 . 1 1 57 57 GLN HB2 H 1 2.42 0.03 . 2 . . . . . . . . 5871 1 464 . 1 1 57 57 GLN HB3 H 1 2.07 0.03 . 2 . . . . . . . . 5871 1 465 . 1 1 57 57 GLN HG2 H 1 2.33 0.03 . 2 . . . . . . . . 5871 1 466 . 1 1 57 57 GLN HG3 H 1 2.48 0.03 . 2 . . . . . . . . 5871 1 467 . 1 1 57 57 GLN C C 13 177.06 0.3 . 1 . . . . . . . . 5871 1 468 . 1 1 57 57 GLN CA C 13 59.06 0.3 . 1 . . . . . . . . 5871 1 469 . 1 1 57 57 GLN CB C 13 28.22 0.3 . 1 . . . . . . . . 5871 1 470 . 1 1 57 57 GLN CG C 13 34.01 0.3 . 1 . . . . . . . . 5871 1 471 . 1 1 57 57 GLN N N 15 120.06 0.3 . 1 . . . . . . . . 5871 1 472 . 1 1 58 58 GLN H H 1 8.29 0.03 . 1 . . . . . . . . 5871 1 473 . 1 1 58 58 GLN HA H 1 2.83 0.03 . 1 . . . . . . . . 5871 1 474 . 1 1 58 58 GLN HB2 H 1 1.64 0.03 . 2 . . . . . . . . 5871 1 475 . 1 1 58 58 GLN HB3 H 1 1.91 0.03 . 2 . . . . . . . . 5871 1 476 . 1 1 58 58 GLN C C 13 177.79 0.3 . 1 . . . . . . . . 5871 1 477 . 1 1 58 58 GLN CA C 13 59.07 0.3 . 1 . . . . . . . . 5871 1 478 . 1 1 58 58 GLN CB C 13 28.92 0.3 . 1 . . . . . . . . 5871 1 479 . 1 1 58 58 GLN CG C 13 33.27 0.3 . 1 . . . . . . . . 5871 1 480 . 1 1 58 58 GLN N N 15 120.01 0.3 . 1 . . . . . . . . 5871 1 481 . 1 1 59 59 ARG H H 1 7.96 0.03 . 1 . . . . . . . . 5871 1 482 . 1 1 59 59 ARG HA H 1 4.13 0.03 . 1 . . . . . . . . 5871 1 483 . 1 1 59 59 ARG HB3 H 1 1.84 0.03 . 2 . . . . . . . . 5871 1 484 . 1 1 59 59 ARG HG3 H 1 1.77 0.03 . 2 . . . . . . . . 5871 1 485 . 1 1 59 59 ARG HD3 H 1 3.27 0.03 . 2 . . . . . . . . 5871 1 486 . 1 1 59 59 ARG C C 13 178.45 0.3 . 1 . . . . . . . . 5871 1 487 . 1 1 59 59 ARG CA C 13 58.85 0.3 . 1 . . . . . . . . 5871 1 488 . 1 1 59 59 ARG CB C 13 29.85 0.3 . 1 . . . . . . . . 5871 1 489 . 1 1 59 59 ARG CG C 13 27.81 0.3 . 1 . . . . . . . . 5871 1 490 . 1 1 59 59 ARG CD C 13 43.12 0.3 . 1 . . . . . . . . 5871 1 491 . 1 1 59 59 ARG N N 15 117.58 0.3 . 1 . . . . . . . . 5871 1 492 . 1 1 60 60 CYS H H 1 7.92 0.03 . 1 . . . . . . . . 5871 1 493 . 1 1 60 60 CYS HA H 1 4.26 0.03 . 1 . . . . . . . . 5871 1 494 . 1 1 60 60 CYS HB2 H 1 3.17 0.03 . 2 . . . . . . . . 5871 1 495 . 1 1 60 60 CYS HB3 H 1 2.72 0.03 . 2 . . . . . . . . 5871 1 496 . 1 1 60 60 CYS C C 13 175.31 0.3 . 1 . . . . . . . . 5871 1 497 . 1 1 60 60 CYS CA C 13 58.82 0.3 . 1 . . . . . . . . 5871 1 498 . 1 1 60 60 CYS CB C 13 38.14 0.3 . 1 . . . . . . . . 5871 1 499 . 1 1 60 60 CYS N N 15 115.71 0.3 . 1 . . . . . . . . 5871 1 500 . 1 1 61 61 CYS H H 1 8.38 0.03 . 1 . . . . . . . . 5871 1 501 . 1 1 61 61 CYS HA H 1 4.42 0.03 . 1 . . . . . . . . 5871 1 502 . 1 1 61 61 CYS HB2 H 1 2.76 0.03 . 2 . . . . . . . . 5871 1 503 . 1 1 61 61 CYS HB3 H 1 3.16 0.03 . 2 . . . . . . . . 5871 1 504 . 1 1 61 61 CYS C C 13 177.29 0.3 . 1 . . . . . . . . 5871 1 505 . 1 1 61 61 CYS CA C 13 56.15 0.3 . 1 . . . . . . . . 5871 1 506 . 1 1 61 61 CYS CB C 13 33.87 0.3 . 1 . . . . . . . . 5871 1 507 . 1 1 61 61 CYS N N 15 116.78 0.3 . 1 . . . . . . . . 5871 1 508 . 1 1 62 62 ASP H H 1 8.85 0.03 . 1 . . . . . . . . 5871 1 509 . 1 1 62 62 ASP HA H 1 4.43 0.03 . 1 . . . . . . . . 5871 1 510 . 1 1 62 62 ASP HB2 H 1 2.71 0.03 . 2 . . . . . . . . 5871 1 511 . 1 1 62 62 ASP HB3 H 1 2.94 0.03 . 2 . . . . . . . . 5871 1 512 . 1 1 62 62 ASP C C 13 179.28 0.3 . 1 . . . . . . . . 5871 1 513 . 1 1 62 62 ASP CA C 13 57.83 0.3 . 1 . . . . . . . . 5871 1 514 . 1 1 62 62 ASP CB C 13 40.18 0.3 . 1 . . . . . . . . 5871 1 515 . 1 1 62 62 ASP N N 15 120.98 0.3 . 1 . . . . . . . . 5871 1 516 . 1 1 63 63 GLU H H 1 7.95 0.03 . 1 . . . . . . . . 5871 1 517 . 1 1 63 63 GLU HA H 1 4.14 0.03 . 1 . . . . . . . . 5871 1 518 . 1 1 63 63 GLU HB2 H 1 2.20 0.03 . 1 . . . . . . . . 5871 1 519 . 1 1 63 63 GLU HB3 H 1 2.20 0.03 . 1 . . . . . . . . 5871 1 520 . 1 1 63 63 GLU HG2 H 1 2.71 0.03 . 2 . . . . . . . . 5871 1 521 . 1 1 63 63 GLU HG3 H 1 2.83 0.03 . 2 . . . . . . . . 5871 1 522 . 1 1 63 63 GLU C C 13 180.11 0.3 . 1 . . . . . . . . 5871 1 523 . 1 1 63 63 GLU CA C 13 59.15 0.3 . 1 . . . . . . . . 5871 1 524 . 1 1 63 63 GLU CB C 13 29.40 0.3 . 1 . . . . . . . . 5871 1 525 . 1 1 63 63 GLU CG C 13 35.54 0.3 . 1 . . . . . . . . 5871 1 526 . 1 1 63 63 GLU N N 15 120.40 0.3 . 1 . . . . . . . . 5871 1 527 . 1 1 64 64 LEU H H 1 8.18 0.03 . 1 . . . . . . . . 5871 1 528 . 1 1 64 64 LEU HA H 1 3.98 0.03 . 1 . . . . . . . . 5871 1 529 . 1 1 64 64 LEU HD11 H 1 0.87 0.03 . 2 . . . . . . . . 5871 1 530 . 1 1 64 64 LEU HD12 H 1 0.87 0.03 . 2 . . . . . . . . 5871 1 531 . 1 1 64 64 LEU HD13 H 1 0.87 0.03 . 2 . . . . . . . . 5871 1 532 . 1 1 64 64 LEU HD21 H 1 0.69 0.03 . 2 . . . . . . . . 5871 1 533 . 1 1 64 64 LEU HD22 H 1 0.69 0.03 . 2 . . . . . . . . 5871 1 534 . 1 1 64 64 LEU HD23 H 1 0.69 0.03 . 2 . . . . . . . . 5871 1 535 . 1 1 64 64 LEU N N 15 117.58 0.3 . 1 . . . . . . . . 5871 1 536 . 1 1 65 65 ASN H H 1 8.30 0.03 . 1 . . . . . . . . 5871 1 537 . 1 1 65 65 ASN HA H 1 4.56 0.03 . 1 . . . . . . . . 5871 1 538 . 1 1 65 65 ASN HB2 H 1 2.96 0.03 . 2 . . . . . . . . 5871 1 539 . 1 1 65 65 ASN HB3 H 1 3.05 0.03 . 2 . . . . . . . . 5871 1 540 . 1 1 65 65 ASN C C 13 175.91 0.3 . 1 . . . . . . . . 5871 1 541 . 1 1 65 65 ASN CA C 13 55.26 0.3 . 1 . . . . . . . . 5871 1 542 . 1 1 65 65 ASN CB C 13 39.58 0.3 . 1 . . . . . . . . 5871 1 543 . 1 1 65 65 ASN N N 15 116.34 0.3 . 1 . . . . . . . . 5871 1 544 . 1 1 66 66 GLU H H 1 7.56 0.03 . 1 . . . . . . . . 5871 1 545 . 1 1 66 66 GLU HA H 1 4.20 0.03 . 1 . . . . . . . . 5871 1 546 . 1 1 66 66 GLU HB3 H 1 2.18 0.03 . 2 . . . . . . . . 5871 1 547 . 1 1 66 66 GLU HG3 H 1 2.47 0.03 . 2 . . . . . . . . 5871 1 548 . 1 1 66 66 GLU C C 13 178.06 0.3 . 1 . . . . . . . . 5871 1 549 . 1 1 66 66 GLU CA C 13 57.12 0.3 . 1 . . . . . . . . 5871 1 550 . 1 1 66 66 GLU CB C 13 29.48 0.3 . 1 . . . . . . . . 5871 1 551 . 1 1 66 66 GLU CG C 13 35.84 0.3 . 1 . . . . . . . . 5871 1 552 . 1 1 66 66 GLU N N 15 117.35 0.3 . 1 . . . . . . . . 5871 1 553 . 1 1 67 67 MET H H 1 7.26 0.03 . 1 . . . . . . . . 5871 1 554 . 1 1 67 67 MET HA H 1 4.18 0.03 . 1 . . . . . . . . 5871 1 555 . 1 1 67 67 MET HB3 H 1 2.02 0.03 . 2 . . . . . . . . 5871 1 556 . 1 1 67 67 MET HG2 H 1 2.33 0.03 . 2 . . . . . . . . 5871 1 557 . 1 1 67 67 MET HG3 H 1 2.65 0.03 . 2 . . . . . . . . 5871 1 558 . 1 1 67 67 MET HE1 H 1 1.95 0.03 . 1 . . . . . . . . 5871 1 559 . 1 1 67 67 MET HE2 H 1 1.95 0.03 . 1 . . . . . . . . 5871 1 560 . 1 1 67 67 MET HE3 H 1 1.95 0.03 . 1 . . . . . . . . 5871 1 561 . 1 1 67 67 MET C C 13 175.74 0.3 . 1 . . . . . . . . 5871 1 562 . 1 1 67 67 MET CA C 13 57.15 0.3 . 1 . . . . . . . . 5871 1 563 . 1 1 67 67 MET CB C 13 33.96 0.3 . 1 . . . . . . . . 5871 1 564 . 1 1 67 67 MET CG C 13 32.26 0.3 . 1 . . . . . . . . 5871 1 565 . 1 1 67 67 MET CE C 13 17.15 0.3 . 1 . . . . . . . . 5871 1 566 . 1 1 67 67 MET N N 15 118.57 0.3 . 1 . . . . . . . . 5871 1 567 . 1 1 68 68 GLU H H 1 8.00 0.03 . 1 . . . . . . . . 5871 1 568 . 1 1 68 68 GLU HA H 1 4.00 0.03 . 1 . . . . . . . . 5871 1 569 . 1 1 68 68 GLU HB3 H 1 1.84 0.03 . 2 . . . . . . . . 5871 1 570 . 1 1 68 68 GLU HG3 H 1 2.22 0.03 . 2 . . . . . . . . 5871 1 571 . 1 1 68 68 GLU C C 13 177.30 0.3 . 1 . . . . . . . . 5871 1 572 . 1 1 68 68 GLU CA C 13 58.78 0.3 . 1 . . . . . . . . 5871 1 573 . 1 1 68 68 GLU CB C 13 29.51 0.3 . 1 . . . . . . . . 5871 1 574 . 1 1 68 68 GLU CG C 13 36.13 0.3 . 1 . . . . . . . . 5871 1 575 . 1 1 68 68 GLU N N 15 122.82 0.3 . 1 . . . . . . . . 5871 1 576 . 1 1 69 69 ASN H H 1 8.56 0.03 . 1 . . . . . . . . 5871 1 577 . 1 1 69 69 ASN HA H 1 4.83 0.03 . 1 . . . . . . . . 5871 1 578 . 1 1 69 69 ASN HB2 H 1 2.73 0.03 . 2 . . . . . . . . 5871 1 579 . 1 1 69 69 ASN HB3 H 1 3.20 0.03 . 2 . . . . . . . . 5871 1 580 . 1 1 69 69 ASN C C 13 174.75 0.3 . 1 . . . . . . . . 5871 1 581 . 1 1 69 69 ASN CA C 13 51.56 0.3 . 1 . . . . . . . . 5871 1 582 . 1 1 69 69 ASN CB C 13 37.99 0.3 . 1 . . . . . . . . 5871 1 583 . 1 1 69 69 ASN N N 15 117.53 0.3 . 1 . . . . . . . . 5871 1 584 . 1 1 70 70 THR H H 1 7.91 0.03 . 1 . . . . . . . . 5871 1 585 . 1 1 70 70 THR HA H 1 3.62 0.03 . 1 . . . . . . . . 5871 1 586 . 1 1 70 70 THR HB H 1 3.66 0.03 . 1 . . . . . . . . 5871 1 587 . 1 1 70 70 THR HG21 H 1 0.65 0.03 . 1 . . . . . . . . 5871 1 588 . 1 1 70 70 THR HG22 H 1 0.65 0.03 . 1 . . . . . . . . 5871 1 589 . 1 1 70 70 THR HG23 H 1 0.65 0.03 . 1 . . . . . . . . 5871 1 590 . 1 1 70 70 THR C C 13 174.47 0.3 . 1 . . . . . . . . 5871 1 591 . 1 1 70 70 THR CA C 13 66.40 0.3 . 1 . . . . . . . . 5871 1 592 . 1 1 70 70 THR CB C 13 69.33 0.3 . 1 . . . . . . . . 5871 1 593 . 1 1 70 70 THR N N 15 116.61 0.3 . 1 . . . . . . . . 5871 1 594 . 1 1 71 71 GLN H H 1 8.47 0.03 . 1 . . . . . . . . 5871 1 595 . 1 1 71 71 GLN HA H 1 3.93 0.03 . 1 . . . . . . . . 5871 1 596 . 1 1 71 71 GLN HB3 H 1 2.10 0.03 . 2 . . . . . . . . 5871 1 597 . 1 1 71 71 GLN HG3 H 1 2.37 0.03 . 2 . . . . . . . . 5871 1 598 . 1 1 71 71 GLN C C 13 177.21 0.3 . 1 . . . . . . . . 5871 1 599 . 1 1 71 71 GLN CA C 13 58.63 0.3 . 1 . . . . . . . . 5871 1 600 . 1 1 71 71 GLN CB C 13 28.81 0.3 . 1 . . . . . . . . 5871 1 601 . 1 1 71 71 GLN CG C 13 34.32 0.3 . 1 . . . . . . . . 5871 1 602 . 1 1 71 71 GLN N N 15 117.00 0.3 . 1 . . . . . . . . 5871 1 603 . 1 1 72 72 GLY H H 1 7.85 0.03 . 1 . . . . . . . . 5871 1 604 . 1 1 72 72 GLY HA2 H 1 4.04 0.03 . 2 . . . . . . . . 5871 1 605 . 1 1 72 72 GLY HA3 H 1 3.83 0.03 . 2 . . . . . . . . 5871 1 606 . 1 1 72 72 GLY C C 13 175.94 0.3 . 1 . . . . . . . . 5871 1 607 . 1 1 72 72 GLY CA C 13 46.61 0.3 . 1 . . . . . . . . 5871 1 608 . 1 1 72 72 GLY N N 15 106.00 0.3 . 1 . . . . . . . . 5871 1 609 . 1 1 73 73 CYS H H 1 7.82 0.03 . 1 . . . . . . . . 5871 1 610 . 1 1 73 73 CYS HA H 1 5.38 0.03 . 1 . . . . . . . . 5871 1 611 . 1 1 73 73 CYS HB2 H 1 3.33 0.03 . 2 . . . . . . . . 5871 1 612 . 1 1 73 73 CYS HB3 H 1 2.67 0.03 . 2 . . . . . . . . 5871 1 613 . 1 1 73 73 CYS CA C 13 52.58 0.3 . 1 . . . . . . . . 5871 1 614 . 1 1 73 73 CYS CB C 13 36.48 0.3 . 1 . . . . . . . . 5871 1 615 . 1 1 73 73 CYS N N 15 116.46 0.3 . 1 . . . . . . . . 5871 1 616 . 1 1 74 74 MET HA H 1 4.30 0.03 . 1 . . . . . . . . 5871 1 617 . 1 1 74 74 MET HB2 H 1 1.96 0.03 . 2 . . . . . . . . 5871 1 618 . 1 1 74 74 MET HB3 H 1 2.26 0.03 . 2 . . . . . . . . 5871 1 619 . 1 1 74 74 MET HG2 H 1 2.24 0.03 . 2 . . . . . . . . 5871 1 620 . 1 1 74 74 MET HG3 H 1 2.64 0.03 . 2 . . . . . . . . 5871 1 621 . 1 1 74 74 MET HE1 H 1 1.60 0.03 . 1 . . . . . . . . 5871 1 622 . 1 1 74 74 MET HE2 H 1 1.60 0.03 . 1 . . . . . . . . 5871 1 623 . 1 1 74 74 MET HE3 H 1 1.60 0.03 . 1 . . . . . . . . 5871 1 624 . 1 1 74 74 MET C C 13 177.99 0.3 . 1 . . . . . . . . 5871 1 625 . 1 1 74 74 MET CA C 13 57.24 0.3 . 1 . . . . . . . . 5871 1 626 . 1 1 74 74 MET CB C 13 31.00 0.3 . 1 . . . . . . . . 5871 1 627 . 1 1 74 74 MET CG C 13 31.65 0.3 . 1 . . . . . . . . 5871 1 628 . 1 1 74 74 MET CE C 13 16.50 0.3 . 1 . . . . . . . . 5871 1 629 . 1 1 75 75 CYS H H 1 8.89 0.03 . 1 . . . . . . . . 5871 1 630 . 1 1 75 75 CYS HA H 1 4.36 0.03 . 1 . . . . . . . . 5871 1 631 . 1 1 75 75 CYS HB3 H 1 3.01 0.03 . 2 . . . . . . . . 5871 1 632 . 1 1 75 75 CYS C C 13 175.68 0.3 . 1 . . . . . . . . 5871 1 633 . 1 1 75 75 CYS CA C 13 57.96 0.3 . 1 . . . . . . . . 5871 1 634 . 1 1 75 75 CYS CB C 13 35.56 0.3 . 1 . . . . . . . . 5871 1 635 . 1 1 75 75 CYS N N 15 115.37 0.3 . 1 . . . . . . . . 5871 1 636 . 1 1 76 76 GLU H H 1 8.74 0.03 . 1 . . . . . . . . 5871 1 637 . 1 1 76 76 GLU HA H 1 4.07 0.03 . 1 . . . . . . . . 5871 1 638 . 1 1 76 76 GLU HB2 H 1 1.86 0.03 . 2 . . . . . . . . 5871 1 639 . 1 1 76 76 GLU HB3 H 1 2.08 0.03 . 2 . . . . . . . . 5871 1 640 . 1 1 76 76 GLU HG3 H 1 2.28 0.03 . 2 . . . . . . . . 5871 1 641 . 1 1 76 76 GLU C C 13 179.19 0.3 . 1 . . . . . . . . 5871 1 642 . 1 1 76 76 GLU CA C 13 60.64 0.3 . 1 . . . . . . . . 5871 1 643 . 1 1 76 76 GLU CB C 13 28.14 0.3 . 1 . . . . . . . . 5871 1 644 . 1 1 76 76 GLU CG C 13 37.62 0.3 . 1 . . . . . . . . 5871 1 645 . 1 1 76 76 GLU N N 15 120.27 0.3 . 1 . . . . . . . . 5871 1 646 . 1 1 77 77 ALA H H 1 7.79 0.03 . 1 . . . . . . . . 5871 1 647 . 1 1 77 77 ALA HA H 1 4.02 0.03 . 1 . . . . . . . . 5871 1 648 . 1 1 77 77 ALA HB1 H 1 1.43 0.03 . 1 . . . . . . . . 5871 1 649 . 1 1 77 77 ALA HB2 H 1 1.43 0.03 . 1 . . . . . . . . 5871 1 650 . 1 1 77 77 ALA HB3 H 1 1.43 0.03 . 1 . . . . . . . . 5871 1 651 . 1 1 77 77 ALA C C 13 178.77 0.3 . 1 . . . . . . . . 5871 1 652 . 1 1 77 77 ALA CA C 13 55.70 0.3 . 1 . . . . . . . . 5871 1 653 . 1 1 77 77 ALA CB C 13 17.28 0.3 . 1 . . . . . . . . 5871 1 654 . 1 1 77 77 ALA N N 15 122.29 0.3 . 1 . . . . . . . . 5871 1 655 . 1 1 78 78 LEU H H 1 8.21 0.03 . 1 . . . . . . . . 5871 1 656 . 1 1 78 78 LEU HA H 1 4.30 0.03 . 1 . . . . . . . . 5871 1 657 . 1 1 78 78 LEU HD11 H 1 0.86 0.03 . 2 . . . . . . . . 5871 1 658 . 1 1 78 78 LEU HD12 H 1 0.86 0.03 . 2 . . . . . . . . 5871 1 659 . 1 1 78 78 LEU HD13 H 1 0.86 0.03 . 2 . . . . . . . . 5871 1 660 . 1 1 78 78 LEU HD21 H 1 0.76 0.03 . 2 . . . . . . . . 5871 1 661 . 1 1 78 78 LEU HD22 H 1 0.76 0.03 . 2 . . . . . . . . 5871 1 662 . 1 1 78 78 LEU HD23 H 1 0.76 0.03 . 2 . . . . . . . . 5871 1 663 . 1 1 78 78 LEU N N 15 116.26 0.3 . 1 . . . . . . . . 5871 1 664 . 1 1 79 79 GLN H H 1 8.79 0.03 . 1 . . . . . . . . 5871 1 665 . 1 1 79 79 GLN HA H 1 4.06 0.03 . 1 . . . . . . . . 5871 1 666 . 1 1 79 79 GLN HB2 H 1 2.09 0.03 . 2 . . . . . . . . 5871 1 667 . 1 1 79 79 GLN HB3 H 1 2.39 0.03 . 2 . . . . . . . . 5871 1 668 . 1 1 79 79 GLN HG2 H 1 2.33 0.03 . 2 . . . . . . . . 5871 1 669 . 1 1 79 79 GLN HG3 H 1 2.54 0.03 . 2 . . . . . . . . 5871 1 670 . 1 1 79 79 GLN C C 13 178.53 0.3 . 1 . . . . . . . . 5871 1 671 . 1 1 79 79 GLN CA C 13 59.22 0.3 . 1 . . . . . . . . 5871 1 672 . 1 1 79 79 GLN CB C 13 28.12 0.3 . 1 . . . . . . . . 5871 1 673 . 1 1 79 79 GLN CG C 13 34.25 0.3 . 1 . . . . . . . . 5871 1 674 . 1 1 79 79 GLN N N 15 117.09 0.3 . 1 . . . . . . . . 5871 1 675 . 1 1 80 80 GLN H H 1 7.93 0.03 . 1 . . . . . . . . 5871 1 676 . 1 1 80 80 GLN HA H 1 3.97 0.03 . 1 . . . . . . . . 5871 1 677 . 1 1 80 80 GLN HB3 H 1 2.11 0.03 . 2 . . . . . . . . 5871 1 678 . 1 1 80 80 GLN HG3 H 1 2.32 0.03 . 2 . . . . . . . . 5871 1 679 . 1 1 80 80 GLN C C 13 177.99 0.3 . 1 . . . . . . . . 5871 1 680 . 1 1 80 80 GLN CA C 13 58.60 0.3 . 1 . . . . . . . . 5871 1 681 . 1 1 80 80 GLN CB C 13 28.50 0.3 . 1 . . . . . . . . 5871 1 682 . 1 1 80 80 GLN CG C 13 34.10 0.3 . 1 . . . . . . . . 5871 1 683 . 1 1 80 80 GLN N N 15 119.81 0.3 . 1 . . . . . . . . 5871 1 684 . 1 1 81 81 ILE H H 1 7.99 0.03 . 1 . . . . . . . . 5871 1 685 . 1 1 81 81 ILE HA H 1 3.62 0.03 . 1 . . . . . . . . 5871 1 686 . 1 1 81 81 ILE HB H 1 2.17 0.03 . 1 . . . . . . . . 5871 1 687 . 1 1 81 81 ILE HG12 H 1 1.18 0.03 . 2 . . . . . . . . 5871 1 688 . 1 1 81 81 ILE HG13 H 1 1.45 0.03 . 2 . . . . . . . . 5871 1 689 . 1 1 81 81 ILE HG21 H 1 1.01 0.03 . 1 . . . . . . . . 5871 1 690 . 1 1 81 81 ILE HG22 H 1 1.01 0.03 . 1 . . . . . . . . 5871 1 691 . 1 1 81 81 ILE HG23 H 1 1.01 0.03 . 1 . . . . . . . . 5871 1 692 . 1 1 81 81 ILE HD11 H 1 0.82 0.03 . 1 . . . . . . . . 5871 1 693 . 1 1 81 81 ILE HD12 H 1 0.82 0.03 . 1 . . . . . . . . 5871 1 694 . 1 1 81 81 ILE HD13 H 1 0.82 0.03 . 1 . . . . . . . . 5871 1 695 . 1 1 81 81 ILE C C 13 177.49 0.3 . 1 . . . . . . . . 5871 1 696 . 1 1 81 81 ILE CA C 13 66.37 0.3 . 1 . . . . . . . . 5871 1 697 . 1 1 81 81 ILE CB C 13 37.60 0.3 . 1 . . . . . . . . 5871 1 698 . 1 1 81 81 ILE CG1 C 13 30.20 0.3 . 1 . . . . . . . . 5871 1 699 . 1 1 81 81 ILE CG2 C 13 18.66 0.3 . 1 . . . . . . . . 5871 1 700 . 1 1 81 81 ILE CD1 C 13 13.73 0.3 . 1 . . . . . . . . 5871 1 701 . 1 1 81 81 ILE N N 15 120.33 0.3 . 1 . . . . . . . . 5871 1 702 . 1 1 82 82 MET H H 1 7.83 0.03 . 1 . . . . . . . . 5871 1 703 . 1 1 82 82 MET HA H 1 4.14 0.03 . 1 . . . . . . . . 5871 1 704 . 1 1 82 82 MET HB3 H 1 2.23 0.03 . 2 . . . . . . . . 5871 1 705 . 1 1 82 82 MET HG3 H 1 2.79 0.03 . 2 . . . . . . . . 5871 1 706 . 1 1 82 82 MET HE1 H 1 2.03 0.03 . 1 . . . . . . . . 5871 1 707 . 1 1 82 82 MET HE2 H 1 2.03 0.03 . 1 . . . . . . . . 5871 1 708 . 1 1 82 82 MET HE3 H 1 2.03 0.03 . 1 . . . . . . . . 5871 1 709 . 1 1 82 82 MET C C 13 178.10 0.3 . 1 . . . . . . . . 5871 1 710 . 1 1 82 82 MET CA C 13 58.68 0.3 . 1 . . . . . . . . 5871 1 711 . 1 1 82 82 MET CB C 13 33.55 0.3 . 1 . . . . . . . . 5871 1 712 . 1 1 82 82 MET CG C 13 31.90 0.3 . 1 . . . . . . . . 5871 1 713 . 1 1 82 82 MET CE C 13 19.38 0.3 . 1 . . . . . . . . 5871 1 714 . 1 1 82 82 MET N N 15 117.13 0.3 . 1 . . . . . . . . 5871 1 715 . 1 1 83 83 GLU H H 1 8.49 0.03 . 1 . . . . . . . . 5871 1 716 . 1 1 83 83 GLU HA H 1 3.92 0.03 . 1 . . . . . . . . 5871 1 717 . 1 1 83 83 GLU HB3 H 1 2.10 0.03 . 2 . . . . . . . . 5871 1 718 . 1 1 83 83 GLU HG3 H 1 2.33 0.03 . 2 . . . . . . . . 5871 1 719 . 1 1 83 83 GLU C C 13 179.08 0.3 . 1 . . . . . . . . 5871 1 720 . 1 1 83 83 GLU CA C 13 59.43 0.3 . 1 . . . . . . . . 5871 1 721 . 1 1 83 83 GLU CB C 13 29.35 0.3 . 1 . . . . . . . . 5871 1 722 . 1 1 83 83 GLU CG C 13 36.16 0.3 . 1 . . . . . . . . 5871 1 723 . 1 1 83 83 GLU N N 15 119.50 0.3 . 1 . . . . . . . . 5871 1 724 . 1 1 84 84 ASN H H 1 8.38 0.03 . 1 . . . . . . . . 5871 1 725 . 1 1 84 84 ASN HA H 1 4.44 0.03 . 1 . . . . . . . . 5871 1 726 . 1 1 84 84 ASN HB2 H 1 2.92 0.03 . 2 . . . . . . . . 5871 1 727 . 1 1 84 84 ASN HB3 H 1 3.00 0.03 . 2 . . . . . . . . 5871 1 728 . 1 1 84 84 ASN C C 13 177.53 0.3 . 1 . . . . . . . . 5871 1 729 . 1 1 84 84 ASN CA C 13 54.83 0.3 . 1 . . . . . . . . 5871 1 730 . 1 1 84 84 ASN CB C 13 38.10 0.3 . 1 . . . . . . . . 5871 1 731 . 1 1 84 84 ASN N N 15 117.21 0.3 . 1 . . . . . . . . 5871 1 732 . 1 1 85 85 GLN H H 1 7.46 0.03 . 1 . . . . . . . . 5871 1 733 . 1 1 85 85 GLN HA H 1 4.36 0.03 . 1 . . . . . . . . 5871 1 734 . 1 1 85 85 GLN HB2 H 1 1.44 0.03 . 2 . . . . . . . . 5871 1 735 . 1 1 85 85 GLN HB3 H 1 2.12 0.03 . 2 . . . . . . . . 5871 1 736 . 1 1 85 85 GLN HG2 H 1 2.02 0.03 . 2 . . . . . . . . 5871 1 737 . 1 1 85 85 GLN HG3 H 1 2.28 0.03 . 2 . . . . . . . . 5871 1 738 . 1 1 85 85 GLN C C 13 177.17 0.3 . 1 . . . . . . . . 5871 1 739 . 1 1 85 85 GLN CA C 13 54.92 0.3 . 1 . . . . . . . . 5871 1 740 . 1 1 85 85 GLN CB C 13 29.89 0.3 . 1 . . . . . . . . 5871 1 741 . 1 1 85 85 GLN CG C 13 33.01 0.3 . 1 . . . . . . . . 5871 1 742 . 1 1 85 85 GLN N N 15 115.27 0.3 . 1 . . . . . . . . 5871 1 743 . 1 1 86 86 CYS H H 1 7.82 0.03 . 1 . . . . . . . . 5871 1 744 . 1 1 86 86 CYS HA H 1 3.92 0.03 . 1 . . . . . . . . 5871 1 745 . 1 1 86 86 CYS HB2 H 1 3.10 0.03 . 2 . . . . . . . . 5871 1 746 . 1 1 86 86 CYS HB3 H 1 3.28 0.03 . 2 . . . . . . . . 5871 1 747 . 1 1 86 86 CYS C C 13 175.74 0.3 . 1 . . . . . . . . 5871 1 748 . 1 1 86 86 CYS CA C 13 59.73 0.3 . 1 . . . . . . . . 5871 1 749 . 1 1 86 86 CYS CB C 13 40.17 0.3 . 1 . . . . . . . . 5871 1 750 . 1 1 86 86 CYS N N 15 118.40 0.3 . 1 . . . . . . . . 5871 1 751 . 1 1 87 87 ASP H H 1 8.60 0.03 . 1 . . . . . . . . 5871 1 752 . 1 1 87 87 ASP HA H 1 4.37 0.03 . 1 . . . . . . . . 5871 1 753 . 1 1 87 87 ASP HB3 H 1 2.63 0.03 . 2 . . . . . . . . 5871 1 754 . 1 1 87 87 ASP C C 13 177.04 0.3 . 1 . . . . . . . . 5871 1 755 . 1 1 87 87 ASP CA C 13 56.30 0.3 . 1 . . . . . . . . 5871 1 756 . 1 1 87 87 ASP CB C 13 40.08 0.3 . 1 . . . . . . . . 5871 1 757 . 1 1 87 87 ASP N N 15 117.29 0.3 . 1 . . . . . . . . 5871 1 758 . 1 1 88 88 ARG H H 1 7.71 0.03 . 1 . . . . . . . . 5871 1 759 . 1 1 88 88 ARG HA H 1 4.27 0.03 . 1 . . . . . . . . 5871 1 760 . 1 1 88 88 ARG HB2 H 1 1.82 0.03 . 2 . . . . . . . . 5871 1 761 . 1 1 88 88 ARG HB3 H 1 1.93 0.03 . 2 . . . . . . . . 5871 1 762 . 1 1 88 88 ARG HG3 H 1 1.69 0.03 . 2 . . . . . . . . 5871 1 763 . 1 1 88 88 ARG HD3 H 1 3.20 0.03 . 2 . . . . . . . . 5871 1 764 . 1 1 88 88 ARG C C 13 176.73 0.3 . 1 . . . . . . . . 5871 1 765 . 1 1 88 88 ARG CA C 13 56.23 0.3 . 1 . . . . . . . . 5871 1 766 . 1 1 88 88 ARG CB C 13 30.68 0.3 . 1 . . . . . . . . 5871 1 767 . 1 1 88 88 ARG CG C 13 27.35 0.3 . 1 . . . . . . . . 5871 1 768 . 1 1 88 88 ARG CD C 13 43.23 0.3 . 1 . . . . . . . . 5871 1 769 . 1 1 88 88 ARG N N 15 117.45 0.3 . 1 . . . . . . . . 5871 1 770 . 1 1 89 89 LEU H H 1 7.41 0.03 . 1 . . . . . . . . 5871 1 771 . 1 1 89 89 LEU HA H 1 4.34 0.03 . 1 . . . . . . . . 5871 1 772 . 1 1 89 89 LEU HD11 H 1 0.60 0.03 . 2 . . . . . . . . 5871 1 773 . 1 1 89 89 LEU HD12 H 1 0.60 0.03 . 2 . . . . . . . . 5871 1 774 . 1 1 89 89 LEU HD13 H 1 0.60 0.03 . 2 . . . . . . . . 5871 1 775 . 1 1 89 89 LEU HD21 H 1 0.34 0.03 . 2 . . . . . . . . 5871 1 776 . 1 1 89 89 LEU HD22 H 1 0.34 0.03 . 2 . . . . . . . . 5871 1 777 . 1 1 89 89 LEU HD23 H 1 0.34 0.03 . 2 . . . . . . . . 5871 1 778 . 1 1 89 89 LEU N N 15 119.99 0.3 . 1 . . . . . . . . 5871 1 779 . 1 1 90 90 GLN H H 1 8.05 0.03 . 1 . . . . . . . . 5871 1 780 . 1 1 90 90 GLN HA H 1 4.06 0.03 . 1 . . . . . . . . 5871 1 781 . 1 1 90 90 GLN HB2 H 1 1.70 0.03 . 2 . . . . . . . . 5871 1 782 . 1 1 90 90 GLN HB3 H 1 1.85 0.03 . 2 . . . . . . . . 5871 1 783 . 1 1 90 90 GLN HG2 H 1 2.36 0.03 . 1 . . . . . . . . 5871 1 784 . 1 1 90 90 GLN HG3 H 1 2.36 0.03 . 1 . . . . . . . . 5871 1 785 . 1 1 90 90 GLN C C 13 175.65 0.3 . 1 . . . . . . . . 5871 1 786 . 1 1 90 90 GLN CA C 13 58.13 0.3 . 1 . . . . . . . . 5871 1 787 . 1 1 90 90 GLN CB C 13 29.68 0.3 . 1 . . . . . . . . 5871 1 788 . 1 1 90 90 GLN CG C 13 33.98 0.3 . 1 . . . . . . . . 5871 1 789 . 1 1 90 90 GLN N N 15 120.39 0.3 . 1 . . . . . . . . 5871 1 790 . 1 1 91 91 ASP H H 1 7.51 0.03 . 1 . . . . . . . . 5871 1 791 . 1 1 91 91 ASP HA H 1 3.99 0.03 . 1 . . . . . . . . 5871 1 792 . 1 1 91 91 ASP CA C 13 53.40 0.3 . 1 . . . . . . . . 5871 1 793 . 1 1 91 91 ASP N N 15 116.24 0.3 . 1 . . . . . . . . 5871 1 794 . 1 1 93 93 GLN C C 13 175.07 0.3 . 1 . . . . . . . . 5871 1 795 . 1 1 94 94 MET H H 1 8.30 0.03 . 1 . . . . . . . . 5871 1 796 . 1 1 94 94 MET HA H 1 4.24 0.03 . 1 . . . . . . . . 5871 1 797 . 1 1 94 94 MET HB2 H 1 1.82 0.03 . 2 . . . . . . . . 5871 1 798 . 1 1 94 94 MET HB3 H 1 2.04 0.03 . 2 . . . . . . . . 5871 1 799 . 1 1 94 94 MET HG2 H 1 2.25 0.03 . 1 . . . . . . . . 5871 1 800 . 1 1 94 94 MET HG3 H 1 2.25 0.03 . 1 . . . . . . . . 5871 1 801 . 1 1 94 94 MET HE1 H 1 2.18 0.03 . 1 . . . . . . . . 5871 1 802 . 1 1 94 94 MET HE2 H 1 2.18 0.03 . 1 . . . . . . . . 5871 1 803 . 1 1 94 94 MET HE3 H 1 2.18 0.03 . 1 . . . . . . . . 5871 1 804 . 1 1 94 94 MET C C 13 178.49 0.3 . 1 . . . . . . . . 5871 1 805 . 1 1 94 94 MET CA C 13 56.55 0.3 . 1 . . . . . . . . 5871 1 806 . 1 1 94 94 MET CB C 13 33.85 0.3 . 1 . . . . . . . . 5871 1 807 . 1 1 94 94 MET CE C 13 17.54 0.3 . 1 . . . . . . . . 5871 1 808 . 1 1 94 94 MET N N 15 120.02 0.3 . 1 . . . . . . . . 5871 1 809 . 1 1 95 95 VAL H H 1 7.97 0.03 . 1 . . . . . . . . 5871 1 810 . 1 1 95 95 VAL HA H 1 3.54 0.03 . 1 . . . . . . . . 5871 1 811 . 1 1 95 95 VAL HB H 1 2.22 0.03 . 1 . . . . . . . . 5871 1 812 . 1 1 95 95 VAL HG11 H 1 1.01 0.03 . 2 . . . . . . . . 5871 1 813 . 1 1 95 95 VAL HG12 H 1 1.01 0.03 . 2 . . . . . . . . 5871 1 814 . 1 1 95 95 VAL HG13 H 1 1.01 0.03 . 2 . . . . . . . . 5871 1 815 . 1 1 95 95 VAL HG21 H 1 0.92 0.03 . 2 . . . . . . . . 5871 1 816 . 1 1 95 95 VAL HG22 H 1 0.92 0.03 . 2 . . . . . . . . 5871 1 817 . 1 1 95 95 VAL HG23 H 1 0.92 0.03 . 2 . . . . . . . . 5871 1 818 . 1 1 95 95 VAL C C 13 176.87 0.3 . 1 . . . . . . . . 5871 1 819 . 1 1 95 95 VAL CA C 13 67.58 0.3 . 1 . . . . . . . . 5871 1 820 . 1 1 95 95 VAL CB C 13 31.71 0.3 . 1 . . . . . . . . 5871 1 821 . 1 1 95 95 VAL CG1 C 13 23.78 0.3 . 2 . . . . . . . . 5871 1 822 . 1 1 95 95 VAL CG2 C 13 21.84 0.3 . 2 . . . . . . . . 5871 1 823 . 1 1 95 95 VAL N N 15 119.42 0.3 . 1 . . . . . . . . 5871 1 824 . 1 1 96 96 GLN H H 1 8.01 0.03 . 1 . . . . . . . . 5871 1 825 . 1 1 96 96 GLN HA H 1 3.76 0.03 . 1 . . . . . . . . 5871 1 826 . 1 1 96 96 GLN C C 13 178.04 0.3 . 1 . . . . . . . . 5871 1 827 . 1 1 96 96 GLN CA C 13 58.90 0.3 . 1 . . . . . . . . 5871 1 828 . 1 1 96 96 GLN CB C 13 29.94 0.3 . 1 . . . . . . . . 5871 1 829 . 1 1 96 96 GLN N N 15 117.64 0.3 . 1 . . . . . . . . 5871 1 830 . 1 1 97 97 GLN H H 1 8.06 0.03 . 1 . . . . . . . . 5871 1 831 . 1 1 97 97 GLN HA H 1 4.03 0.03 . 1 . . . . . . . . 5871 1 832 . 1 1 97 97 GLN HB2 H 1 2.13 0.03 . 2 . . . . . . . . 5871 1 833 . 1 1 97 97 GLN HB3 H 1 2.27 0.03 . 2 . . . . . . . . 5871 1 834 . 1 1 97 97 GLN HG2 H 1 2.49 0.03 . 2 . . . . . . . . 5871 1 835 . 1 1 97 97 GLN HG3 H 1 2.60 0.03 . 2 . . . . . . . . 5871 1 836 . 1 1 97 97 GLN C C 13 178.06 0.3 . 1 . . . . . . . . 5871 1 837 . 1 1 97 97 GLN CA C 13 59.34 0.3 . 1 . . . . . . . . 5871 1 838 . 1 1 97 97 GLN CB C 13 28.73 0.3 . 1 . . . . . . . . 5871 1 839 . 1 1 97 97 GLN CG C 13 34.06 0.3 . 1 . . . . . . . . 5871 1 840 . 1 1 97 97 GLN N N 15 120.17 0.3 . 1 . . . . . . . . 5871 1 841 . 1 1 98 98 PHE H H 1 8.77 0.03 . 1 . . . . . . . . 5871 1 842 . 1 1 98 98 PHE HA H 1 3.76 0.03 . 1 . . . . . . . . 5871 1 843 . 1 1 98 98 PHE HB2 H 1 3.05 0.03 . 2 . . . . . . . . 5871 1 844 . 1 1 98 98 PHE HB3 H 1 3.34 0.03 . 2 . . . . . . . . 5871 1 845 . 1 1 98 98 PHE HD1 H 1 7.09 0.03 . 1 . . . . . . . . 5871 1 846 . 1 1 98 98 PHE HD2 H 1 7.09 0.03 . 1 . . . . . . . . 5871 1 847 . 1 1 98 98 PHE HE1 H 1 7.17 0.03 . 1 . . . . . . . . 5871 1 848 . 1 1 98 98 PHE HE2 H 1 7.17 0.03 . 1 . . . . . . . . 5871 1 849 . 1 1 98 98 PHE HZ H 1 6.99 0.03 . 1 . . . . . . . . 5871 1 850 . 1 1 98 98 PHE C C 13 177.20 0.3 . 1 . . . . . . . . 5871 1 851 . 1 1 98 98 PHE CA C 13 61.99 0.3 . 1 . . . . . . . . 5871 1 852 . 1 1 98 98 PHE CB C 13 40.15 0.3 . 1 . . . . . . . . 5871 1 853 . 1 1 98 98 PHE N N 15 121.72 0.3 . 1 . . . . . . . . 5871 1 854 . 1 1 99 99 LYS H H 1 8.59 0.03 . 1 . . . . . . . . 5871 1 855 . 1 1 99 99 LYS HA H 1 3.84 0.03 . 1 . . . . . . . . 5871 1 856 . 1 1 99 99 LYS HB2 H 1 1.93 0.03 . 1 . . . . . . . . 5871 1 857 . 1 1 99 99 LYS HB3 H 1 1.93 0.03 . 1 . . . . . . . . 5871 1 858 . 1 1 99 99 LYS HG2 H 1 1.43 0.03 . 1 . . . . . . . . 5871 1 859 . 1 1 99 99 LYS HG3 H 1 1.43 0.03 . 1 . . . . . . . . 5871 1 860 . 1 1 99 99 LYS HD2 H 1 1.71 0.03 . 1 . . . . . . . . 5871 1 861 . 1 1 99 99 LYS HD3 H 1 1.71 0.03 . 1 . . . . . . . . 5871 1 862 . 1 1 99 99 LYS HE2 H 1 2.86 0.03 . 2 . . . . . . . . 5871 1 863 . 1 1 99 99 LYS HE3 H 1 2.98 0.03 . 2 . . . . . . . . 5871 1 864 . 1 1 99 99 LYS C C 13 178.06 0.3 . 1 . . . . . . . . 5871 1 865 . 1 1 99 99 LYS CA C 13 60.99 0.3 . 1 . . . . . . . . 5871 1 866 . 1 1 99 99 LYS CB C 13 32.96 0.3 . 1 . . . . . . . . 5871 1 867 . 1 1 99 99 LYS CG C 13 26.87 0.3 . 1 . . . . . . . . 5871 1 868 . 1 1 99 99 LYS CD C 13 30.19 0.3 . 1 . . . . . . . . 5871 1 869 . 1 1 99 99 LYS CE C 13 42.06 0.3 . 1 . . . . . . . . 5871 1 870 . 1 1 99 99 LYS N N 15 117.76 0.3 . 1 . . . . . . . . 5871 1 871 . 1 1 100 100 ARG H H 1 7.76 0.03 . 1 . . . . . . . . 5871 1 872 . 1 1 100 100 ARG HA H 1 3.96 0.03 . 1 . . . . . . . . 5871 1 873 . 1 1 100 100 ARG HB2 H 1 1.95 0.03 . 1 . . . . . . . . 5871 1 874 . 1 1 100 100 ARG HB3 H 1 1.95 0.03 . 1 . . . . . . . . 5871 1 875 . 1 1 100 100 ARG HG2 H 1 1.58 0.03 . 2 . . . . . . . . 5871 1 876 . 1 1 100 100 ARG HG3 H 1 1.79 0.03 . 2 . . . . . . . . 5871 1 877 . 1 1 100 100 ARG HD2 H 1 3.21 0.03 . 1 . . . . . . . . 5871 1 878 . 1 1 100 100 ARG HD3 H 1 3.21 0.03 . 1 . . . . . . . . 5871 1 879 . 1 1 100 100 ARG C C 13 179.57 0.3 . 1 . . . . . . . . 5871 1 880 . 1 1 100 100 ARG CA C 13 59.74 0.3 . 1 . . . . . . . . 5871 1 881 . 1 1 100 100 ARG CB C 13 29.83 0.3 . 1 . . . . . . . . 5871 1 882 . 1 1 100 100 ARG CG C 13 27.32 0.3 . 1 . . . . . . . . 5871 1 883 . 1 1 100 100 ARG CD C 13 43.32 0.3 . 1 . . . . . . . . 5871 1 884 . 1 1 100 100 ARG N N 15 118.31 0.3 . 1 . . . . . . . . 5871 1 885 . 1 1 101 101 GLU H H 1 7.97 0.03 . 1 . . . . . . . . 5871 1 886 . 1 1 101 101 GLU HA H 1 3.91 0.03 . 1 . . . . . . . . 5871 1 887 . 1 1 101 101 GLU HB2 H 1 1.98 0.03 . 2 . . . . . . . . 5871 1 888 . 1 1 101 101 GLU HB3 H 1 1.84 0.03 . 2 . . . . . . . . 5871 1 889 . 1 1 101 101 GLU HG3 H 1 2.27 0.03 . 2 . . . . . . . . 5871 1 890 . 1 1 101 101 GLU C C 13 180.07 0.3 . 1 . . . . . . . . 5871 1 891 . 1 1 101 101 GLU CA C 13 58.58 0.3 . 1 . . . . . . . . 5871 1 892 . 1 1 101 101 GLU CB C 13 29.53 0.3 . 1 . . . . . . . . 5871 1 893 . 1 1 101 101 GLU CG C 13 35.62 0.3 . 1 . . . . . . . . 5871 1 894 . 1 1 101 101 GLU N N 15 119.42 0.3 . 1 . . . . . . . . 5871 1 895 . 1 1 102 102 LEU H H 1 8.79 0.03 . 1 . . . . . . . . 5871 1 896 . 1 1 102 102 LEU HA H 1 3.84 0.03 . 1 . . . . . . . . 5871 1 897 . 1 1 102 102 LEU HD11 H 1 0.99 0.03 . 2 . . . . . . . . 5871 1 898 . 1 1 102 102 LEU HD12 H 1 0.99 0.03 . 2 . . . . . . . . 5871 1 899 . 1 1 102 102 LEU HD13 H 1 0.99 0.03 . 2 . . . . . . . . 5871 1 900 . 1 1 102 102 LEU HD21 H 1 0.87 0.03 . 2 . . . . . . . . 5871 1 901 . 1 1 102 102 LEU HD22 H 1 0.87 0.03 . 2 . . . . . . . . 5871 1 902 . 1 1 102 102 LEU HD23 H 1 0.87 0.03 . 2 . . . . . . . . 5871 1 903 . 1 1 102 102 LEU N N 15 122.52 0.3 . 1 . . . . . . . . 5871 1 904 . 1 1 103 103 MET H H 1 7.86 0.03 . 1 . . . . . . . . 5871 1 905 . 1 1 103 103 MET HA H 1 4.34 0.03 . 1 . . . . . . . . 5871 1 906 . 1 1 103 103 MET HB2 H 1 2.67 0.03 . 2 . . . . . . . . 5871 1 907 . 1 1 103 103 MET HB3 H 1 2.15 0.03 . 2 . . . . . . . . 5871 1 908 . 1 1 103 103 MET HG2 H 1 2.80 0.03 . 1 . . . . . . . . 5871 1 909 . 1 1 103 103 MET HG3 H 1 2.80 0.03 . 1 . . . . . . . . 5871 1 910 . 1 1 103 103 MET HE1 H 1 2.09 0.03 . 1 . . . . . . . . 5871 1 911 . 1 1 103 103 MET HE2 H 1 2.09 0.03 . 1 . . . . . . . . 5871 1 912 . 1 1 103 103 MET HE3 H 1 2.09 0.03 . 1 . . . . . . . . 5871 1 913 . 1 1 103 103 MET C C 13 177.81 0.3 . 1 . . . . . . . . 5871 1 914 . 1 1 103 103 MET CA C 13 56.52 0.3 . 1 . . . . . . . . 5871 1 915 . 1 1 103 103 MET CB C 13 31.11 0.3 . 1 . . . . . . . . 5871 1 916 . 1 1 103 103 MET CG C 13 32.47 0.3 . 1 . . . . . . . . 5871 1 917 . 1 1 103 103 MET CE C 13 16.32 0.3 . 1 . . . . . . . . 5871 1 918 . 1 1 103 103 MET N N 15 112.99 0.3 . 1 . . . . . . . . 5871 1 919 . 1 1 104 104 SER H H 1 7.53 0.03 . 1 . . . . . . . . 5871 1 920 . 1 1 104 104 SER HA H 1 4.72 0.03 . 1 . . . . . . . . 5871 1 921 . 1 1 104 104 SER HB2 H 1 3.94 0.03 . 2 . . . . . . . . 5871 1 922 . 1 1 104 104 SER HB3 H 1 4.13 0.03 . 2 . . . . . . . . 5871 1 923 . 1 1 104 104 SER C C 13 174.71 0.3 . 1 . . . . . . . . 5871 1 924 . 1 1 104 104 SER CA C 13 58.80 0.3 . 1 . . . . . . . . 5871 1 925 . 1 1 104 104 SER CB C 13 64.51 0.3 . 1 . . . . . . . . 5871 1 926 . 1 1 104 104 SER N N 15 113.75 0.3 . 1 . . . . . . . . 5871 1 927 . 1 1 105 105 LEU H H 1 7.71 0.03 . 1 . . . . . . . . 5871 1 928 . 1 1 105 105 LEU HA H 1 4.22 0.03 . 1 . . . . . . . . 5871 1 929 . 1 1 105 105 LEU HD11 H 1 0.99 0.03 . 2 . . . . . . . . 5871 1 930 . 1 1 105 105 LEU HD12 H 1 0.99 0.03 . 2 . . . . . . . . 5871 1 931 . 1 1 105 105 LEU HD13 H 1 0.99 0.03 . 2 . . . . . . . . 5871 1 932 . 1 1 105 105 LEU HD21 H 1 0.84 0.03 . 2 . . . . . . . . 5871 1 933 . 1 1 105 105 LEU HD22 H 1 0.84 0.03 . 2 . . . . . . . . 5871 1 934 . 1 1 105 105 LEU HD23 H 1 0.84 0.03 . 2 . . . . . . . . 5871 1 935 . 1 1 105 105 LEU N N 15 124.56 0.3 . 1 . . . . . . . . 5871 1 936 . 1 1 106 106 PRO HA H 1 3.97 0.03 . 1 . . . . . . . . 5871 1 937 . 1 1 106 106 PRO C C 13 178.80 0.3 . 1 . . . . . . . . 5871 1 938 . 1 1 106 106 PRO CA C 13 67.47 0.3 . 1 . . . . . . . . 5871 1 939 . 1 1 106 106 PRO CB C 13 30.31 0.3 . 1 . . . . . . . . 5871 1 940 . 1 1 106 106 PRO CG C 13 29.13 0.3 . 1 . . . . . . . . 5871 1 941 . 1 1 106 106 PRO CD C 13 48.68 0.3 . 1 . . . . . . . . 5871 1 942 . 1 1 107 107 GLN H H 1 8.22 0.03 . 1 . . . . . . . . 5871 1 943 . 1 1 107 107 GLN HA H 1 4.31 0.03 . 1 . . . . . . . . 5871 1 944 . 1 1 107 107 GLN HB3 H 1 2.19 0.03 . 2 . . . . . . . . 5871 1 945 . 1 1 107 107 GLN HG2 H 1 2.42 0.03 . 2 . . . . . . . . 5871 1 946 . 1 1 107 107 GLN HG3 H 1 2.56 0.03 . 2 . . . . . . . . 5871 1 947 . 1 1 107 107 GLN C C 13 180.39 0.3 . 1 . . . . . . . . 5871 1 948 . 1 1 107 107 GLN CA C 13 58.93 0.3 . 1 . . . . . . . . 5871 1 949 . 1 1 107 107 GLN CB C 13 28.42 0.3 . 1 . . . . . . . . 5871 1 950 . 1 1 107 107 GLN CG C 13 34.25 0.3 . 1 . . . . . . . . 5871 1 951 . 1 1 107 107 GLN N N 15 116.24 0.3 . 1 . . . . . . . . 5871 1 952 . 1 1 108 108 GLN H H 1 8.04 0.03 . 1 . . . . . . . . 5871 1 953 . 1 1 108 108 GLN HA H 1 4.02 0.03 . 1 . . . . . . . . 5871 1 954 . 1 1 108 108 GLN HB2 H 1 2.11 0.03 . 2 . . . . . . . . 5871 1 955 . 1 1 108 108 GLN HB3 H 1 2.30 0.03 . 2 . . . . . . . . 5871 1 956 . 1 1 108 108 GLN HG2 H 1 2.35 0.03 . 2 . . . . . . . . 5871 1 957 . 1 1 108 108 GLN HG3 H 1 2.61 0.03 . 2 . . . . . . . . 5871 1 958 . 1 1 108 108 GLN C C 13 177.66 0.3 . 1 . . . . . . . . 5871 1 959 . 1 1 108 108 GLN CA C 13 59.21 0.3 . 1 . . . . . . . . 5871 1 960 . 1 1 108 108 GLN CB C 13 28.59 0.3 . 1 . . . . . . . . 5871 1 961 . 1 1 108 108 GLN CG C 13 34.57 0.3 . 1 . . . . . . . . 5871 1 962 . 1 1 108 108 GLN N N 15 121.29 0.3 . 1 . . . . . . . . 5871 1 963 . 1 1 109 109 CYS H H 1 7.50 0.03 . 1 . . . . . . . . 5871 1 964 . 1 1 109 109 CYS HA H 1 4.74 0.03 . 1 . . . . . . . . 5871 1 965 . 1 1 109 109 CYS HB2 H 1 2.21 0.03 . 2 . . . . . . . . 5871 1 966 . 1 1 109 109 CYS HB3 H 1 3.03 0.03 . 2 . . . . . . . . 5871 1 967 . 1 1 109 109 CYS C C 13 173.72 0.3 . 1 . . . . . . . . 5871 1 968 . 1 1 109 109 CYS CA C 13 51.83 0.3 . 1 . . . . . . . . 5871 1 969 . 1 1 109 109 CYS CB C 13 36.86 0.3 . 1 . . . . . . . . 5871 1 970 . 1 1 109 109 CYS N N 15 114.15 0.3 . 1 . . . . . . . . 5871 1 971 . 1 1 110 110 ASN H H 1 7.82 0.03 . 1 . . . . . . . . 5871 1 972 . 1 1 110 110 ASN HA H 1 4.29 0.03 . 1 . . . . . . . . 5871 1 973 . 1 1 110 110 ASN HB2 H 1 2.71 0.03 . 2 . . . . . . . . 5871 1 974 . 1 1 110 110 ASN HB3 H 1 3.01 0.03 . 2 . . . . . . . . 5871 1 975 . 1 1 110 110 ASN C C 13 174.05 0.3 . 1 . . . . . . . . 5871 1 976 . 1 1 110 110 ASN CA C 13 54.79 0.3 . 1 . . . . . . . . 5871 1 977 . 1 1 110 110 ASN CB C 13 36.86 0.3 . 1 . . . . . . . . 5871 1 978 . 1 1 110 110 ASN N N 15 114.00 0.3 . 1 . . . . . . . . 5871 1 979 . 1 1 111 111 PHE H H 1 8.21 0.03 . 1 . . . . . . . . 5871 1 980 . 1 1 111 111 PHE HA H 1 4.89 0.03 . 1 . . . . . . . . 5871 1 981 . 1 1 111 111 PHE HB2 H 1 2.58 0.03 . 2 . . . . . . . . 5871 1 982 . 1 1 111 111 PHE HB3 H 1 3.27 0.03 . 2 . . . . . . . . 5871 1 983 . 1 1 111 111 PHE HD1 H 1 7.07 0.03 . 1 . . . . . . . . 5871 1 984 . 1 1 111 111 PHE HD2 H 1 7.07 0.03 . 1 . . . . . . . . 5871 1 985 . 1 1 111 111 PHE HE1 H 1 7.28 0.03 . 1 . . . . . . . . 5871 1 986 . 1 1 111 111 PHE HE2 H 1 7.28 0.03 . 1 . . . . . . . . 5871 1 987 . 1 1 111 111 PHE C C 13 175.38 0.3 . 1 . . . . . . . . 5871 1 988 . 1 1 111 111 PHE CA C 13 55.68 0.3 . 1 . . . . . . . . 5871 1 989 . 1 1 111 111 PHE CB C 13 40.49 0.3 . 1 . . . . . . . . 5871 1 990 . 1 1 111 111 PHE N N 15 117.07 0.3 . 1 . . . . . . . . 5871 1 991 . 1 1 112 112 ARG H H 1 8.63 0.03 . 1 . . . . . . . . 5871 1 992 . 1 1 112 112 ARG HA H 1 4.30 0.03 . 1 . . . . . . . . 5871 1 993 . 1 1 112 112 ARG HB3 H 1 1.72 0.03 . 2 . . . . . . . . 5871 1 994 . 1 1 112 112 ARG HG2 H 1 1.69 0.03 . 1 . . . . . . . . 5871 1 995 . 1 1 112 112 ARG HG3 H 1 1.69 0.03 . 1 . . . . . . . . 5871 1 996 . 1 1 112 112 ARG HD2 H 1 3.20 0.03 . 1 . . . . . . . . 5871 1 997 . 1 1 112 112 ARG HD3 H 1 3.20 0.03 . 1 . . . . . . . . 5871 1 998 . 1 1 112 112 ARG C C 13 176.42 0.3 . 1 . . . . . . . . 5871 1 999 . 1 1 112 112 ARG CA C 13 55.74 0.3 . 1 . . . . . . . . 5871 1 1000 . 1 1 112 112 ARG CB C 13 30.80 0.3 . 1 . . . . . . . . 5871 1 1001 . 1 1 112 112 ARG CG C 13 27.34 0.3 . 1 . . . . . . . . 5871 1 1002 . 1 1 112 112 ARG CD C 13 43.35 0.3 . 1 . . . . . . . . 5871 1 1003 . 1 1 112 112 ARG N N 15 119.99 0.3 . 1 . . . . . . . . 5871 1 1004 . 1 1 113 113 ALA H H 1 8.58 0.03 . 1 . . . . . . . . 5871 1 1005 . 1 1 113 113 ALA HA H 1 4.36 0.03 . 1 . . . . . . . . 5871 1 1006 . 1 1 113 113 ALA HB1 H 1 1.40 0.03 . 1 . . . . . . . . 5871 1 1007 . 1 1 113 113 ALA HB2 H 1 1.40 0.03 . 1 . . . . . . . . 5871 1 1008 . 1 1 113 113 ALA HB3 H 1 1.40 0.03 . 1 . . . . . . . . 5871 1 1009 . 1 1 113 113 ALA CA C 13 50.50 0.3 . 1 . . . . . . . . 5871 1 1010 . 1 1 113 113 ALA CB C 13 17.69 0.3 . 1 . . . . . . . . 5871 1 1011 . 1 1 113 113 ALA N N 15 125.98 0.3 . 1 . . . . . . . . 5871 1 1012 . 1 1 114 114 PRO HA H 1 4.52 0.03 . 1 . . . . . . . . 5871 1 1013 . 1 1 114 114 PRO HB2 H 1 1.89 0.03 . 2 . . . . . . . . 5871 1 1014 . 1 1 114 114 PRO HB3 H 1 2.30 0.03 . 2 . . . . . . . . 5871 1 1015 . 1 1 114 114 PRO HG2 H 1 1.97 0.03 . 1 . . . . . . . . 5871 1 1016 . 1 1 114 114 PRO HG3 H 1 1.97 0.03 . 1 . . . . . . . . 5871 1 1017 . 1 1 114 114 PRO HD2 H 1 3.72 0.03 . 1 . . . . . . . . 5871 1 1018 . 1 1 114 114 PRO HD3 H 1 3.72 0.03 . 1 . . . . . . . . 5871 1 1019 . 1 1 114 114 PRO C C 13 176.49 0.3 . 1 . . . . . . . . 5871 1 1020 . 1 1 114 114 PRO CA C 13 62.54 0.3 . 1 . . . . . . . . 5871 1 1021 . 1 1 114 114 PRO CB C 13 32.01 0.3 . 1 . . . . . . . . 5871 1 1022 . 1 1 114 114 PRO CG C 13 27.34 0.3 . 1 . . . . . . . . 5871 1 1023 . 1 1 114 114 PRO CD C 13 49.69 0.3 . 1 . . . . . . . . 5871 1 1024 . 1 1 115 115 GLN H H 1 8.60 0.03 . 1 . . . . . . . . 5871 1 1025 . 1 1 115 115 GLN HA H 1 4.17 0.03 . 1 . . . . . . . . 5871 1 1026 . 1 1 115 115 GLN HB3 H 1 2.05 0.03 . 2 . . . . . . . . 5871 1 1027 . 1 1 115 115 GLN HG3 H 1 2.42 0.03 . 2 . . . . . . . . 5871 1 1028 . 1 1 115 115 GLN C C 13 175.91 0.3 . 1 . . . . . . . . 5871 1 1029 . 1 1 115 115 GLN CA C 13 56.77 0.3 . 1 . . . . . . . . 5871 1 1030 . 1 1 115 115 GLN CB C 13 29.53 0.3 . 1 . . . . . . . . 5871 1 1031 . 1 1 115 115 GLN CG C 13 34.02 0.3 . 1 . . . . . . . . 5871 1 1032 . 1 1 115 115 GLN N N 15 121.98 0.3 . 1 . . . . . . . . 5871 1 1033 . 1 1 116 116 ARG H H 1 8.32 0.03 . 1 . . . . . . . . 5871 1 1034 . 1 1 116 116 ARG HA H 1 4.21 0.03 . 1 . . . . . . . . 5871 1 1035 . 1 1 116 116 ARG HB2 H 1 1.78 0.03 . 1 . . . . . . . . 5871 1 1036 . 1 1 116 116 ARG HB3 H 1 1.78 0.03 . 1 . . . . . . . . 5871 1 1037 . 1 1 116 116 ARG HG2 H 1 1.55 0.03 . 1 . . . . . . . . 5871 1 1038 . 1 1 116 116 ARG HG3 H 1 1.55 0.03 . 1 . . . . . . . . 5871 1 1039 . 1 1 116 116 ARG HD2 H 1 3.20 0.03 . 1 . . . . . . . . 5871 1 1040 . 1 1 116 116 ARG HD3 H 1 3.20 0.03 . 1 . . . . . . . . 5871 1 1041 . 1 1 116 116 ARG C C 13 174.96 0.3 . 1 . . . . . . . . 5871 1 1042 . 1 1 116 116 ARG CA C 13 55.95 0.3 . 1 . . . . . . . . 5871 1 1043 . 1 1 116 116 ARG CB C 13 30.08 0.3 . 1 . . . . . . . . 5871 1 1044 . 1 1 116 116 ARG CG C 13 27.27 0.3 . 1 . . . . . . . . 5871 1 1045 . 1 1 116 116 ARG CD C 13 43.33 0.3 . 1 . . . . . . . . 5871 1 1046 . 1 1 116 116 ARG N N 15 118.69 0.3 . 1 . . . . . . . . 5871 1 1047 . 1 1 117 117 CYS H H 1 8.48 0.03 . 1 . . . . . . . . 5871 1 1048 . 1 1 117 117 CYS HA H 1 4.83 0.03 . 1 . . . . . . . . 5871 1 1049 . 1 1 117 117 CYS HB2 H 1 2.75 0.03 . 1 . . . . . . . . 5871 1 1050 . 1 1 117 117 CYS HB3 H 1 2.75 0.03 . 1 . . . . . . . . 5871 1 1051 . 1 1 117 117 CYS C C 13 172.72 0.3 . 1 . . . . . . . . 5871 1 1052 . 1 1 117 117 CYS CA C 13 54.47 0.3 . 1 . . . . . . . . 5871 1 1053 . 1 1 117 117 CYS CB C 13 37.49 0.3 . 1 . . . . . . . . 5871 1 1054 . 1 1 117 117 CYS N N 15 121.34 0.3 . 1 . . . . . . . . 5871 1 1055 . 1 1 118 118 ASP H H 1 8.76 0.03 . 1 . . . . . . . . 5871 1 1056 . 1 1 118 118 ASP HA H 1 4.66 0.03 . 1 . . . . . . . . 5871 1 1057 . 1 1 118 118 ASP HB2 H 1 2.49 0.03 . 2 . . . . . . . . 5871 1 1058 . 1 1 118 118 ASP HB3 H 1 2.75 0.03 . 2 . . . . . . . . 5871 1 1059 . 1 1 118 118 ASP C C 13 176.03 0.3 . 1 . . . . . . . . 5871 1 1060 . 1 1 118 118 ASP CA C 13 54.08 0.3 . 1 . . . . . . . . 5871 1 1061 . 1 1 118 118 ASP CB C 13 40.87 0.3 . 1 . . . . . . . . 5871 1 1062 . 1 1 118 118 ASP N N 15 127.92 0.3 . 1 . . . . . . . . 5871 1 1063 . 1 1 119 119 LEU H H 1 8.38 0.03 . 1 . . . . . . . . 5871 1 1064 . 1 1 119 119 LEU HA H 1 4.64 0.03 . 1 . . . . . . . . 5871 1 1065 . 1 1 119 119 LEU HD11 H 1 0.89 0.03 . 2 . . . . . . . . 5871 1 1066 . 1 1 119 119 LEU HD12 H 1 0.89 0.03 . 2 . . . . . . . . 5871 1 1067 . 1 1 119 119 LEU HD13 H 1 0.89 0.03 . 2 . . . . . . . . 5871 1 1068 . 1 1 119 119 LEU HD21 H 1 0.73 0.03 . 2 . . . . . . . . 5871 1 1069 . 1 1 119 119 LEU HD22 H 1 0.73 0.03 . 2 . . . . . . . . 5871 1 1070 . 1 1 119 119 LEU HD23 H 1 0.73 0.03 . 2 . . . . . . . . 5871 1 1071 . 1 1 119 119 LEU N N 15 124.86 0.3 . 1 . . . . . . . . 5871 1 1072 . 1 1 120 120 ASP H H 1 8.34 0.03 . 1 . . . . . . . . 5871 1 1073 . 1 1 120 120 ASP HA H 1 4.67 0.03 . 1 . . . . . . . . 5871 1 1074 . 1 1 120 120 ASP HB2 H 1 2.66 0.03 . 1 . . . . . . . . 5871 1 1075 . 1 1 120 120 ASP HB3 H 1 2.66 0.03 . 1 . . . . . . . . 5871 1 1076 . 1 1 120 120 ASP C C 13 176.64 0.3 . 1 . . . . . . . . 5871 1 1077 . 1 1 120 120 ASP CA C 13 54.23 0.3 . 1 . . . . . . . . 5871 1 1078 . 1 1 120 120 ASP CB C 13 40.78 0.3 . 1 . . . . . . . . 5871 1 1079 . 1 1 120 120 ASP N N 15 120.46 0.3 . 1 . . . . . . . . 5871 1 1080 . 1 1 121 121 VAL H H 1 7.88 0.03 . 1 . . . . . . . . 5871 1 1081 . 1 1 121 121 VAL HA H 1 4.13 0.03 . 1 . . . . . . . . 5871 1 1082 . 1 1 121 121 VAL HB H 1 2.17 0.03 . 1 . . . . . . . . 5871 1 1083 . 1 1 121 121 VAL HG11 H 1 0.91 0.03 . 2 . . . . . . . . 5871 1 1084 . 1 1 121 121 VAL HG12 H 1 0.91 0.03 . 2 . . . . . . . . 5871 1 1085 . 1 1 121 121 VAL HG13 H 1 0.91 0.03 . 2 . . . . . . . . 5871 1 1086 . 1 1 121 121 VAL HG21 H 1 0.88 0.03 . 2 . . . . . . . . 5871 1 1087 . 1 1 121 121 VAL HG22 H 1 0.88 0.03 . 2 . . . . . . . . 5871 1 1088 . 1 1 121 121 VAL HG23 H 1 0.88 0.03 . 2 . . . . . . . . 5871 1 1089 . 1 1 121 121 VAL C C 13 176.42 0.3 . 1 . . . . . . . . 5871 1 1090 . 1 1 121 121 VAL CA C 13 62.16 0.3 . 1 . . . . . . . . 5871 1 1091 . 1 1 121 121 VAL CB C 13 32.58 0.3 . 1 . . . . . . . . 5871 1 1092 . 1 1 121 121 VAL CG1 C 13 21.51 0.3 . 2 . . . . . . . . 5871 1 1093 . 1 1 121 121 VAL CG2 C 13 20.41 0.3 . 2 . . . . . . . . 5871 1 1094 . 1 1 121 121 VAL N N 15 119.54 0.3 . 1 . . . . . . . . 5871 1 1095 . 1 1 122 122 SER H H 1 8.45 0.03 . 1 . . . . . . . . 5871 1 1096 . 1 1 122 122 SER HA H 1 4.36 0.03 . 1 . . . . . . . . 5871 1 1097 . 1 1 122 122 SER HB2 H 1 3.86 0.03 . 1 . . . . . . . . 5871 1 1098 . 1 1 122 122 SER HB3 H 1 3.86 0.03 . 1 . . . . . . . . 5871 1 1099 . 1 1 122 122 SER C C 13 176.47 0.3 . 1 . . . . . . . . 5871 1 1100 . 1 1 122 122 SER CA C 13 59.05 0.3 . 1 . . . . . . . . 5871 1 1101 . 1 1 122 122 SER CB C 13 63.48 0.3 . 1 . . . . . . . . 5871 1 1102 . 1 1 122 122 SER N N 15 118.63 0.3 . 1 . . . . . . . . 5871 1 1103 . 1 1 123 123 GLY H H 1 8.39 0.03 . 1 . . . . . . . . 5871 1 1104 . 1 1 123 123 GLY HA2 H 1 3.96 0.03 . 1 . . . . . . . . 5871 1 1105 . 1 1 123 123 GLY HA3 H 1 3.96 0.03 . 1 . . . . . . . . 5871 1 1106 . 1 1 123 123 GLY C C 13 175.10 0.3 . 1 . . . . . . . . 5871 1 1107 . 1 1 123 123 GLY CA C 13 45.89 0.3 . 1 . . . . . . . . 5871 1 1108 . 1 1 123 123 GLY N N 15 110.70 0.3 . 1 . . . . . . . . 5871 1 1109 . 1 1 124 124 GLY H H 1 8.23 0.03 . 1 . . . . . . . . 5871 1 1110 . 1 1 124 124 GLY HA2 H 1 3.96 0.03 . 1 . . . . . . . . 5871 1 1111 . 1 1 124 124 GLY HA3 H 1 3.96 0.03 . 1 . . . . . . . . 5871 1 1112 . 1 1 124 124 GLY C C 13 175.00 0.3 . 1 . . . . . . . . 5871 1 1113 . 1 1 124 124 GLY CA C 13 45.65 0.3 . 1 . . . . . . . . 5871 1 1114 . 1 1 124 124 GLY N N 15 108.55 0.3 . 1 . . . . . . . . 5871 1 1115 . 1 1 125 125 ARG H H 1 8.47 0.03 . 1 . . . . . . . . 5871 1 1116 . 1 1 125 125 ARG HA H 1 4.24 0.03 . 1 . . . . . . . . 5871 1 1117 . 1 1 125 125 ARG HB3 H 1 1.86 0.03 . 2 . . . . . . . . 5871 1 1118 . 1 1 125 125 ARG HG2 H 1 1.67 0.03 . 2 . . . . . . . . 5871 1 1119 . 1 1 125 125 ARG HG3 H 1 1.86 0.03 . 2 . . . . . . . . 5871 1 1120 . 1 1 125 125 ARG HD3 H 1 3.21 0.03 . 2 . . . . . . . . 5871 1 1121 . 1 1 125 125 ARG C C 13 176.72 0.3 . 1 . . . . . . . . 5871 1 1122 . 1 1 125 125 ARG CA C 13 57.44 0.3 . 1 . . . . . . . . 5871 1 1123 . 1 1 125 125 ARG CB C 13 30.73 0.3 . 1 . . . . . . . . 5871 1 1124 . 1 1 125 125 ARG CG C 13 27.60 0.3 . 1 . . . . . . . . 5871 1 1125 . 1 1 125 125 ARG CD C 13 43.29 0.3 . 1 . . . . . . . . 5871 1 1126 . 1 1 125 125 ARG N N 15 121.50 0.3 . 1 . . . . . . . . 5871 1 1127 . 1 1 126 126 CYS H H 1 8.56 0.03 . 1 . . . . . . . . 5871 1 1128 . 1 1 126 126 CYS HA H 1 4.63 0.03 . 1 . . . . . . . . 5871 1 1129 . 1 1 126 126 CYS HB2 H 1 3.01 0.03 . 2 . . . . . . . . 5871 1 1130 . 1 1 126 126 CYS HB3 H 1 3.40 0.03 . 2 . . . . . . . . 5871 1 1131 . 1 1 126 126 CYS C C 13 173.22 0.3 . 1 . . . . . . . . 5871 1 1132 . 1 1 126 126 CYS CA C 13 56.98 0.3 . 1 . . . . . . . . 5871 1 1133 . 1 1 126 126 CYS CB C 13 41.22 0.3 . 1 . . . . . . . . 5871 1 1134 . 1 1 126 126 CYS N N 15 117.13 0.3 . 1 . . . . . . . . 5871 1 1135 . 1 1 127 127 SER H H 1 7.58 0.03 . 1 . . . . . . . . 5871 1 1136 . 1 1 127 127 SER HA H 1 4.15 0.03 . 1 . . . . . . . . 5871 1 1137 . 1 1 127 127 SER HB2 H 1 3.81 0.03 . 1 . . . . . . . . 5871 1 1138 . 1 1 127 127 SER HB3 H 1 3.81 0.03 . 1 . . . . . . . . 5871 1 1139 . 1 1 127 127 SER CA C 13 60.33 0.3 . 1 . . . . . . . . 5871 1 1140 . 1 1 127 127 SER CB C 13 64.69 0.3 . 1 . . . . . . . . 5871 1 1141 . 1 1 127 127 SER N N 15 121.21 0.3 . 1 . . . . . . . . 5871 1 stop_ save_