data_6529 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6529 _Entry.Title ; Assignment of 1H, 13C and 15N resonances of the 2S albumin Ber e 1 from Brazilian nut ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-03 _Entry.Accession_date 2005-03-03 _Entry.Last_release_date 2006-04-06 _Entry.Original_release_date 2006-04-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Tobias Tengel . . . 6529 2 Marcos Alcocer . J.C. . 6529 3 Jurgen Schleucher . . . 6529 4 Goran Larsson . . . 6529 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6529 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 464 6529 '15N chemical shifts' 121 6529 '1H chemical shifts' 784 6529 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 . . 2006-04-06 2005-03-03 original author . 6529 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LVF 'BMRB Entry Tracking System' 6529 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6529 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Complete Assignment and Secondary Structure of the Brazil Nut Allergen Ber e 1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 4 _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 336 _Citation.Page_last 336 _Citation.Year 2005 _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 Tobias Tengel . . . 6529 1 2 Marcos Alcocer . J.C. . 6529 1 3 Jurgen Schleucher . . . 6529 1 4 Goran Larsson . . . 6529 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '2S Albumin' 6529 1 'Ber e1' 6529 1 'Brazilian nut' 6529 1 'NMR assignment' 6529 1 'secondary structure' 6529 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6529 _Assembly.ID 1 _Assembly.Name 'Ber e 1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 136000 _Assembly.Enzyme_commission_number . _Assembly.Details 'monomeric protein' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Ber e 1' 1 $Ber_e_1 . . yes native no no . . . 6529 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 . 1 CYS 50 50 SG . 1 . 1 CYS 98 98 SG . . . . . . . . . . 6529 1 2 disulfide single . 1 . 1 CYS 21 21 SG . 1 . 1 CYS 49 49 SG . . . . . . . . . . 6529 1 3 disulfide single . 1 . 1 CYS 8 8 SG . 1 . 1 CYS 60 60 SG . . . . . . . . . . 6529 1 4 disulfide single . 1 . 1 CYS 62 62 SG . 1 . 1 CYS 105 105 SG . . . . . . . . . . 6529 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ber_e_1 _Entity.Sf_category entity _Entity.Sf_framecode Ber_e_1 _Entity.Entry_ID 6529 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '2S sulfur-rich seed storage protein from Brazil nut' _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 ; EAEAQEECREQMQRQQMLSH CRMYMRQQMEESTYQTMPRR GMEPHMSECCEQLEGMDESC RCEGLRMMMRMMQQKEMQPR GEQMRRMMRLAENIPSRCNL SPMRCPMGGSIAGF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 136000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LVF . "Solution Structure Of The Brazil Nut 2s Albumin Ber E 1" . . . . . 100.00 114 100.00 100.00 1.17e-70 . . . . 6529 1 2 no DBJ BAA96554 . "2S albumin [Bertholletia excelsa]" . . . . . 100.00 146 97.37 97.37 2.11e-69 . . . . 6529 1 3 no GB ACI70207 . "2S albumin precursor [Bertholletia excelsa]" . . . . . 91.23 146 98.08 98.08 6.75e-62 . . . . 6529 1 4 no PRF 1905414A . "albumin 2S" . . . . . 91.23 146 98.08 98.08 6.75e-62 . . . . 6529 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Storage protein' 6529 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '2S sulfur-rich seed storage protein from Bertholletia excelsa' . 6529 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 2SS_BEREX 'Swissprot entry name' 6529 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 . GLU . 6529 1 2 . ALA . 6529 1 3 . GLU . 6529 1 4 . ALA . 6529 1 5 . GLN . 6529 1 6 . GLU . 6529 1 7 . GLU . 6529 1 8 . CYS . 6529 1 9 . ARG . 6529 1 10 . GLU . 6529 1 11 . GLN . 6529 1 12 . MET . 6529 1 13 . GLN . 6529 1 14 . ARG . 6529 1 15 . GLN . 6529 1 16 . GLN . 6529 1 17 . MET . 6529 1 18 . LEU . 6529 1 19 . SER . 6529 1 20 . HIS . 6529 1 21 . CYS . 6529 1 22 . ARG . 6529 1 23 . MET . 6529 1 24 . TYR . 6529 1 25 . MET . 6529 1 26 . ARG . 6529 1 27 . GLN . 6529 1 28 . GLN . 6529 1 29 . MET . 6529 1 30 . GLU . 6529 1 31 . GLU . 6529 1 32 . SER . 6529 1 33 . THR . 6529 1 34 . TYR . 6529 1 35 . GLN . 6529 1 36 . THR . 6529 1 37 . MET . 6529 1 38 . PRO . 6529 1 39 . ARG . 6529 1 40 . ARG . 6529 1 41 . GLY . 6529 1 42 . MET . 6529 1 43 . GLU . 6529 1 44 . PRO . 6529 1 45 . HIS . 6529 1 46 . MET . 6529 1 47 . SER . 6529 1 48 . GLU . 6529 1 49 . CYS . 6529 1 50 . CYS . 6529 1 51 . GLU . 6529 1 52 . GLN . 6529 1 53 . LEU . 6529 1 54 . GLU . 6529 1 55 . GLY . 6529 1 56 . MET . 6529 1 57 . ASP . 6529 1 58 . GLU . 6529 1 59 . SER . 6529 1 60 . CYS . 6529 1 61 . ARG . 6529 1 62 . CYS . 6529 1 63 . GLU . 6529 1 64 . GLY . 6529 1 65 . LEU . 6529 1 66 . ARG . 6529 1 67 . MET . 6529 1 68 . MET . 6529 1 69 . MET . 6529 1 70 . ARG . 6529 1 71 . MET . 6529 1 72 . MET . 6529 1 73 . GLN . 6529 1 74 . GLN . 6529 1 75 . LYS . 6529 1 76 . GLU . 6529 1 77 . MET . 6529 1 78 . GLN . 6529 1 79 . PRO . 6529 1 80 . ARG . 6529 1 81 . GLY . 6529 1 82 . GLU . 6529 1 83 . GLN . 6529 1 84 . MET . 6529 1 85 . ARG . 6529 1 86 . ARG . 6529 1 87 . MET . 6529 1 88 . MET . 6529 1 89 . ARG . 6529 1 90 . LEU . 6529 1 91 . ALA . 6529 1 92 . GLU . 6529 1 93 . ASN . 6529 1 94 . ILE . 6529 1 95 . PRO . 6529 1 96 . SER . 6529 1 97 . ARG . 6529 1 98 . CYS . 6529 1 99 . ASN . 6529 1 100 . LEU . 6529 1 101 . SER . 6529 1 102 . PRO . 6529 1 103 . MET . 6529 1 104 . ARG . 6529 1 105 . CYS . 6529 1 106 . PRO . 6529 1 107 . MET . 6529 1 108 . GLY . 6529 1 109 . GLY . 6529 1 110 . SER . 6529 1 111 . ILE . 6529 1 112 . ALA . 6529 1 113 . GLY . 6529 1 114 . PHE . 6529 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 . GLU 1 1 6529 1 . ALA 2 2 6529 1 . GLU 3 3 6529 1 . ALA 4 4 6529 1 . GLN 5 5 6529 1 . GLU 6 6 6529 1 . GLU 7 7 6529 1 . CYS 8 8 6529 1 . ARG 9 9 6529 1 . GLU 10 10 6529 1 . GLN 11 11 6529 1 . MET 12 12 6529 1 . GLN 13 13 6529 1 . ARG 14 14 6529 1 . GLN 15 15 6529 1 . GLN 16 16 6529 1 . MET 17 17 6529 1 . LEU 18 18 6529 1 . SER 19 19 6529 1 . HIS 20 20 6529 1 . CYS 21 21 6529 1 . ARG 22 22 6529 1 . MET 23 23 6529 1 . TYR 24 24 6529 1 . MET 25 25 6529 1 . ARG 26 26 6529 1 . GLN 27 27 6529 1 . GLN 28 28 6529 1 . MET 29 29 6529 1 . GLU 30 30 6529 1 . GLU 31 31 6529 1 . SER 32 32 6529 1 . THR 33 33 6529 1 . TYR 34 34 6529 1 . GLN 35 35 6529 1 . THR 36 36 6529 1 . MET 37 37 6529 1 . PRO 38 38 6529 1 . ARG 39 39 6529 1 . ARG 40 40 6529 1 . GLY 41 41 6529 1 . MET 42 42 6529 1 . GLU 43 43 6529 1 . PRO 44 44 6529 1 . HIS 45 45 6529 1 . MET 46 46 6529 1 . SER 47 47 6529 1 . GLU 48 48 6529 1 . CYS 49 49 6529 1 . CYS 50 50 6529 1 . GLU 51 51 6529 1 . GLN 52 52 6529 1 . LEU 53 53 6529 1 . GLU 54 54 6529 1 . GLY 55 55 6529 1 . MET 56 56 6529 1 . ASP 57 57 6529 1 . GLU 58 58 6529 1 . SER 59 59 6529 1 . CYS 60 60 6529 1 . ARG 61 61 6529 1 . CYS 62 62 6529 1 . GLU 63 63 6529 1 . GLY 64 64 6529 1 . LEU 65 65 6529 1 . ARG 66 66 6529 1 . MET 67 67 6529 1 . MET 68 68 6529 1 . MET 69 69 6529 1 . ARG 70 70 6529 1 . MET 71 71 6529 1 . MET 72 72 6529 1 . GLN 73 73 6529 1 . GLN 74 74 6529 1 . LYS 75 75 6529 1 . GLU 76 76 6529 1 . MET 77 77 6529 1 . GLN 78 78 6529 1 . PRO 79 79 6529 1 . ARG 80 80 6529 1 . GLY 81 81 6529 1 . GLU 82 82 6529 1 . GLN 83 83 6529 1 . MET 84 84 6529 1 . ARG 85 85 6529 1 . ARG 86 86 6529 1 . MET 87 87 6529 1 . MET 88 88 6529 1 . ARG 89 89 6529 1 . LEU 90 90 6529 1 . ALA 91 91 6529 1 . GLU 92 92 6529 1 . ASN 93 93 6529 1 . ILE 94 94 6529 1 . PRO 95 95 6529 1 . SER 96 96 6529 1 . ARG 97 97 6529 1 . CYS 98 98 6529 1 . ASN 99 99 6529 1 . LEU 100 100 6529 1 . SER 101 101 6529 1 . PRO 102 102 6529 1 . MET 103 103 6529 1 . ARG 104 104 6529 1 . CYS 105 105 6529 1 . PRO 106 106 6529 1 . MET 107 107 6529 1 . GLY 108 108 6529 1 . GLY 109 109 6529 1 . SER 110 110 6529 1 . ILE 111 111 6529 1 . ALA 112 112 6529 1 . GLY 113 113 6529 1 . PHE 114 114 6529 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 6529 _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 $Ber_e_1 . 3645 . no . 'Brazil nut' . . Eukaryota Viridiplantae Bertholletia excelsa . . . . . . . . . . . . . . . . . . . . . 6529 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 6529 _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 $Ber_e_1 . 'recombinant technology' . 'picha pastoris' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6529 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6529 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 13C, 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1) ; _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 '2S sulfur-rich seed storage protein from Brazil nut' '[U-13C; U-15N]' . . 1 $Ber_e_1 . . 1 . . mM . . . . 6529 1 2 'Sodium phosphate buffer' . . . . . . . 20 . . mM . . . . 6529 1 3 'Sodium azide' . . . . . . . 1 . . mM . . . . 6529 1 4 H2O . . . . . . . 10 . . % . . . . 6529 1 5 D2O . . . . . . . 90 . . % . . . . 6529 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6529 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 13C, 15N labeled Ber e 1 pH 5.8 D2O ; _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 '2S sulfur-rich seed storage protein from Brazil nut' '[U-13C; U-15N]' . . 1 $Ber_e_1 . . 1 . . mM . . . . 6529 2 2 'Sodium phosphate buffer' . . . . . . . 20 . . mM . . . . 6529 2 3 'Sodium azide' . . . . . . . 1 . . mM . . . . 6529 2 4 D2O . . . . . . . 100 . . % . . . . 6529 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6529 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 15N labeled Ber e 1 pH 5.8 H2O/D2O (9:1) ; _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 '2S sulfur-rich seed storage protein from Brazil nut' [U-15N] . . 1 $Ber_e_1 . . 1 . . mM . . . . 6529 3 2 'Sodium phosphate buffer' . . . . . . . 20 . . mM . . . . 6529 3 3 'Sodium azide' . . . . . . . 1 . . mM . . . . 6529 3 4 H2O . . . . . . . 10 . . % . . . . 6529 3 5 D2O . . . . . . . 90 . . % . . . . 6529 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6529 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH 5.8 at 303K' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.8 0.05 pH 6529 1 temperature 303 0.05 K 6529 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 6529 _Software.ID 1 _Software.Name NMRDraw _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID . . http://spin.niddk.nih.gov/bax/software/NMRPipe/index.html 6529 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer _NMR_spectrometer.Entry_ID 6529 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'DRX (cryo probe)' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6529 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 13C-NOESY no . . . . . . . . . . . . isotropic . . . . . . . . . . . . . . . . . . . . . . . . . 6529 1 2 15N-NOESY no . . . . . . . . . . . . isotropic . . . . . . . . . . . . . . . . . . . . . . . . . 6529 1 3 CBCACONH no . . . . . . . . . . . . isotropic . . . . . . . . . . . . . . . . . . . . . . . . . 6529 1 4 CBCANH no . . . . . . . . . . . . isotropic . . . . . . . . . . . . . . . . . . . . . . . . . 6529 1 5 HACANH no . . . . . . . . . . . . isotropic . . . . . . . . . . . . . . . . . . . . . . . . . 6529 1 6 HBHACONH no . . . . . . . . . . . . isotropic . . . . . . . . . . . . . . . . . . . . . . . . . 6529 1 7 hCCCONH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6529 1 8 HNCO no . . . . . . . . . . . . isotropic . . . . . . . . . . . . . . . . . . . . . . . . . 6529 1 8 HccCONH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6529 1 9 HNHA no . . . . . . . . . . . . isotropic . . . . . . . . . . . . . . . . . . . . . . . . . 6529 1 10 LRCH no . . . . . . . . . . . . isotropic . . . . . . . . . . . . . . . . . . . . . . . . . 6529 1 stop_ save_ save_13C-NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C-NOESY _NMR_spec_expt.Entry_ID 6529 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 13C-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N-NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N-NOESY _NMR_spec_expt.Entry_ID 6529 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 15N-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACONH _NMR_spec_expt.Entry_ID 6529 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCANH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCANH _NMR_spec_expt.Entry_ID 6529 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HACANH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HACANH _NMR_spec_expt.Entry_ID 6529 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HACANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HBHACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HBHACONH _NMR_spec_expt.Entry_ID 6529 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HBHACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_hccCONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode hccCONH _NMR_spec_expt.Entry_ID 6529 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name hccCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 6529 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNHA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNHA _NMR_spec_expt.Entry_ID 6529 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_LRCH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode LRCH _NMR_spec_expt.Entry_ID 6529 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name LRCH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details ; Vuister, G.W. and A. Bax, Measurement of two- and three-bond proton to methyl-carbon J couplings in proteins uniformly enriched with carbon-13. Journal of Magnetic Resonance, Series B, 1993. 102(2): p. 228-31. ; save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6529 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; All spectra were referenced to H20 at 4.7 ppm at 303K. 15N and 13C were referenced according to the magnetogyric ratios 13C/1H=0.25144953 and 15N/1H=0.101329118 [Wishart, 1995]. ; 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 C 13 H2O protons . . . . ppm 4.70 external indirect 0.25144953 . . . . . . . . . 6529 1 H 1 H2O protons . . . . ppm 4.70 internal direct 1.0 . . . . . . . . . 6529 1 N 15 H2O protons . . . . ppm 4.70 external indirect 0.101329118 . . . . . . . . . 6529 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6529 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 13C-NOESY 2 $sample_2 isotropic 6529 1 2 15N-NOESY 3 $sample_3 isotropic 6529 1 3 CBCACONH 1 $sample_1 isotropic 6529 1 4 CBCANH 1 $sample_1 isotropic 6529 1 5 HACANH 1 $sample_1 isotropic 6529 1 6 HBHACONH 1 $sample_1 isotropic 6529 1 7 hccCONH 1 $sample_1 isotropic 6529 1 8 HNCO 1 $sample_1 isotropic 6529 1 9 HNHA 1 $sample_1 isotropic 6529 1 10 LRCH 1 $sample_1 isotropic 6529 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRDraw . . 6529 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 1 1 GLU HA H 1 4.030 0.01 . 1 . . . . 1 GLU HA . 6529 1 2 . 1 1 1 1 GLU HB2 H 1 2.099 0.01 . 1 . . . . 1 GLU HB1 . 6529 1 3 . 1 1 1 1 GLU HB3 H 1 2.099 0.01 . 1 . . . . 1 GLU HB2 . 6529 1 4 . 1 1 1 1 GLU HG2 H 1 2.385 0.01 . 1 . . . . 1 GLU HG1 . 6529 1 5 . 1 1 1 1 GLU HG3 H 1 2.385 0.01 . 1 . . . . 1 GLU HG2 . 6529 1 6 . 1 1 1 1 GLU C C 13 172.521 0.1 . 1 . . . . 1 GLU C . 6529 1 7 . 1 1 1 1 GLU CA C 13 55.851 0.05 . 1 . . . . 1 GLU CA . 6529 1 8 . 1 1 1 1 GLU CB C 13 30.276 0.1 . 1 . . . . 1 GLU CB . 6529 1 9 . 1 1 1 1 GLU CG C 13 34.740 0.1 . 1 . . . . 1 GLU CG . 6529 1 10 . 1 1 2 2 ALA H H 1 8.745 0.01 . 1 . . . . 2 ALA H . 6529 1 11 . 1 1 2 2 ALA HA H 1 4.343 0.01 . 1 . . . . 2 ALA HA . 6529 1 12 . 1 1 2 2 ALA HB1 H 1 1.401 0.01 . 1 . . . . 2 ALA HB . 6529 1 13 . 1 1 2 2 ALA HB2 H 1 1.401 0.01 . 1 . . . . 2 ALA HB . 6529 1 14 . 1 1 2 2 ALA HB3 H 1 1.401 0.01 . 1 . . . . 2 ALA HB . 6529 1 15 . 1 1 2 2 ALA C C 13 177.318 0.1 . 1 . . . . 2 ALA C . 6529 1 16 . 1 1 2 2 ALA CA C 13 52.720 0.05 . 1 . . . . 2 ALA CA . 6529 1 17 . 1 1 2 2 ALA CB C 13 19.241 0.1 . 1 . . . . 2 ALA CB . 6529 1 18 . 1 1 2 2 ALA N N 15 125.522 0.1 . 1 . . . . 2 ALA N . 6529 1 19 . 1 1 3 3 GLU H H 1 8.563 0.01 . 1 . . . . 3 GLU H . 6529 1 20 . 1 1 3 3 GLU HA H 1 4.238 0.01 . 1 . . . . 3 GLU HA . 6529 1 21 . 1 1 3 3 GLU HB2 H 1 1.950 0.01 . 2 . . . . 3 GLU HB1 . 6529 1 22 . 1 1 3 3 GLU HB3 H 1 2.059 0.01 . 2 . . . . 3 GLU HB2 . 6529 1 23 . 1 1 3 3 GLU HG2 H 1 2.317 0.01 . 1 . . . . 3 GLU HG1 . 6529 1 24 . 1 1 3 3 GLU HG3 H 1 2.317 0.01 . 1 . . . . 3 GLU HG2 . 6529 1 25 . 1 1 3 3 GLU C C 13 176.497 0.1 . 1 . . . . 3 GLU C . 6529 1 26 . 1 1 3 3 GLU CA C 13 56.894 0.05 . 1 . . . . 3 GLU CA . 6529 1 27 . 1 1 3 3 GLU CB C 13 30.098 0.1 . 1 . . . . 3 GLU CB . 6529 1 28 . 1 1 3 3 GLU CG C 13 36.171 0.1 . 1 . . . . 3 GLU CG . 6529 1 29 . 1 1 3 3 GLU N N 15 120.928 0.1 . 1 . . . . 3 GLU N . 6529 1 30 . 1 1 4 4 ALA H H 1 8.356 0.01 . 1 . . . . 4 ALA H . 6529 1 31 . 1 1 4 4 ALA HA H 1 4.318 0.01 . 1 . . . . 4 ALA HA . 6529 1 32 . 1 1 4 4 ALA HB1 H 1 1.391 0.01 . 1 . . . . 4 ALA HB . 6529 1 33 . 1 1 4 4 ALA HB2 H 1 1.391 0.01 . 1 . . . . 4 ALA HB . 6529 1 34 . 1 1 4 4 ALA HB3 H 1 1.391 0.01 . 1 . . . . 4 ALA HB . 6529 1 35 . 1 1 4 4 ALA C C 13 177.933 0.1 . 1 . . . . 4 ALA C . 6529 1 36 . 1 1 4 4 ALA CA C 13 52.820 0.05 . 1 . . . . 4 ALA CA . 6529 1 37 . 1 1 4 4 ALA CB C 13 19.436 0.1 . 1 . . . . 4 ALA CB . 6529 1 38 . 1 1 4 4 ALA N N 15 124.702 0.1 . 1 . . . . 4 ALA N . 6529 1 39 . 1 1 5 5 GLN H H 1 8.580 0.01 . 1 . . . . 5 GLN H . 6529 1 40 . 1 1 5 5 GLN HA H 1 4.281 0.01 . 1 . . . . 5 GLN HA . 6529 1 41 . 1 1 5 5 GLN HB2 H 1 2.054 0.01 . 2 . . . . 5 GLN HB2 . 6529 1 42 . 1 1 5 5 GLN HB3 H 1 2.162 0.01 . 2 . . . . 5 GLN HB3 . 6529 1 43 . 1 1 5 5 GLN HG2 H 1 2.404 0.01 . 1 . . . . 5 GLN HG2 . 6529 1 44 . 1 1 5 5 GLN HG3 H 1 2.404 0.01 . 1 . . . . 5 GLN HG3 . 6529 1 45 . 1 1 5 5 GLN HE21 H 1 7.605 0.01 . 2 . . . . 5 GLN HE21 . 6529 1 46 . 1 1 5 5 GLN HE22 H 1 6.800 0.01 . 2 . . . . 5 GLN HE22 . 6529 1 47 . 1 1 5 5 GLN C C 13 177.135 0.1 . 1 . . . . 5 GLN C . 6529 1 48 . 1 1 5 5 GLN CA C 13 56.666 0.05 . 1 . . . . 5 GLN CA . 6529 1 49 . 1 1 5 5 GLN CB C 13 29.323 0.1 . 1 . . . . 5 GLN CB . 6529 1 50 . 1 1 5 5 GLN CG C 13 34.156 0.1 . 1 . . . . 5 GLN CG . 6529 1 51 . 1 1 5 5 GLN N N 15 119.616 0.1 . 1 . . . . 5 GLN N . 6529 1 52 . 1 1 5 5 GLN NE2 N 15 112.239 0.1 . 1 . . . . 5 GLN NE2 . 6529 1 53 . 1 1 6 6 GLU H H 1 8.551 0.01 . 1 . . . . 6 GLU H . 6529 1 54 . 1 1 6 6 GLU HA H 1 4.159 0.01 . 1 . . . . 6 GLU HA . 6529 1 55 . 1 1 6 6 GLU HB2 H 1 2.074 0.01 . 1 . . . . 6 GLU HB1 . 6529 1 56 . 1 1 6 6 GLU HB3 H 1 2.074 0.01 . 1 . . . . 6 GLU HB2 . 6529 1 57 . 1 1 6 6 GLU HG2 H 1 2.341 0.01 . 1 . . . . 6 GLU HG1 . 6529 1 58 . 1 1 6 6 GLU HG3 H 1 2.341 0.01 . 1 . . . . 6 GLU HG2 . 6529 1 59 . 1 1 6 6 GLU C C 13 177.961 0.1 . 1 . . . . 6 GLU C . 6529 1 60 . 1 1 6 6 GLU CA C 13 58.305 0.05 . 1 . . . . 6 GLU CA . 6529 1 61 . 1 1 6 6 GLU CB C 13 29.645 0.1 . 1 . . . . 6 GLU CB . 6529 1 62 . 1 1 6 6 GLU CG C 13 35.857 0.1 . 1 . . . . 6 GLU CG . 6529 1 63 . 1 1 6 6 GLU N N 15 122.897 0.1 . 1 . . . . 6 GLU N . 6529 1 64 . 1 1 7 7 GLU H H 1 8.805 0.01 . 1 . . . . 7 GLU H . 6529 1 65 . 1 1 7 7 GLU HA H 1 4.240 0.01 . 1 . . . . 7 GLU HA . 6529 1 66 . 1 1 7 7 GLU HB2 H 1 2.095 0.01 . 1 . . . . 7 GLU HB1 . 6529 1 67 . 1 1 7 7 GLU HB3 H 1 2.095 0.01 . 1 . . . . 7 GLU HB2 . 6529 1 68 . 1 1 7 7 GLU HG2 H 1 2.355 0.01 . 1 . . . . 7 GLU HG1 . 6529 1 69 . 1 1 7 7 GLU HG3 H 1 2.355 0.01 . 1 . . . . 7 GLU HG2 . 6529 1 70 . 1 1 7 7 GLU C C 13 178.661 0.1 . 1 . . . . 7 GLU C . 6529 1 71 . 1 1 7 7 GLU CA C 13 58.855 0.05 . 1 . . . . 7 GLU CA . 6529 1 72 . 1 1 7 7 GLU CB C 13 29.109 0.1 . 1 . . . . 7 GLU CB . 6529 1 73 . 1 1 7 7 GLU CG C 13 35.836 0.1 . 1 . . . . 7 GLU CG . 6529 1 74 . 1 1 7 7 GLU N N 15 121.092 0.1 . 1 . . . . 7 GLU N . 6529 1 75 . 1 1 8 8 CYS H H 1 8.230 0.01 . 1 . . . . 8 CYS H . 6529 1 76 . 1 1 8 8 CYS HA H 1 4.567 0.01 . 1 . . . . 8 CYS HA . 6529 1 77 . 1 1 8 8 CYS HB2 H 1 2.921 0.01 . 1 . . . . 8 CYS HB2 . 6529 1 78 . 1 1 8 8 CYS HB3 H 1 2.921 0.01 . 1 . . . . 8 CYS HB3 . 6529 1 79 . 1 1 8 8 CYS C C 13 177.433 0.1 . 1 . . . . 8 CYS C . 6529 1 80 . 1 1 8 8 CYS CA C 13 54.954 0.05 . 1 . . . . 8 CYS CA . 6529 1 81 . 1 1 8 8 CYS CB C 13 33.009 0.1 . 1 . . . . 8 CYS CB . 6529 1 82 . 1 1 8 8 CYS N N 15 116.012 0.1 . 1 . . . . 8 CYS N . 6529 1 83 . 1 1 9 9 ARG H H 1 8.316 0.01 . 1 . . . . 9 ARG H . 6529 1 84 . 1 1 9 9 ARG HA H 1 3.875 0.01 . 1 . . . . 9 ARG HA . 6529 1 85 . 1 1 9 9 ARG HB2 H 1 1.950 0.01 . 1 . . . . 9 ARG HB2 . 6529 1 86 . 1 1 9 9 ARG HB3 H 1 1.950 0.01 . 1 . . . . 9 ARG HB3 . 6529 1 87 . 1 1 9 9 ARG HG2 H 1 1.556 0.01 . 2 . . . . 9 ARG HG2 . 6529 1 88 . 1 1 9 9 ARG HG3 H 1 1.690 0.01 . 2 . . . . 9 ARG HG3 . 6529 1 89 . 1 1 9 9 ARG HD2 H 1 3.224 0.01 . 1 . . . . 9 ARG HD2 . 6529 1 90 . 1 1 9 9 ARG HD3 H 1 3.224 0.01 . 1 . . . . 9 ARG HD3 . 6529 1 91 . 1 1 9 9 ARG C C 13 178.500 0.1 . 1 . . . . 9 ARG C . 6529 1 92 . 1 1 9 9 ARG CA C 13 60.297 0.05 . 1 . . . . 9 ARG CA . 6529 1 93 . 1 1 9 9 ARG CB C 13 29.608 0.1 . 1 . . . . 9 ARG CB . 6529 1 94 . 1 1 9 9 ARG CG C 13 27.583 0.1 . 1 . . . . 9 ARG CG . 6529 1 95 . 1 1 9 9 ARG CD C 13 43.330 0.1 . 1 . . . . 9 ARG CD . 6529 1 96 . 1 1 9 9 ARG N N 15 122.322 0.1 . 1 . . . . 9 ARG N . 6529 1 97 . 1 1 10 10 GLU H H 1 8.053 0.01 . 1 . . . . 10 GLU H . 6529 1 98 . 1 1 10 10 GLU HA H 1 4.099 0.01 . 1 . . . . 10 GLU HA . 6529 1 99 . 1 1 10 10 GLU HB2 H 1 2.166 0.01 . 2 . . . . 10 GLU HB1 . 6529 1 100 . 1 1 10 10 GLU HB3 H 1 2.217 0.01 . 2 . . . . 10 GLU HB2 . 6529 1 101 . 1 1 10 10 GLU HG2 H 1 2.329 0.01 . 2 . . . . 10 GLU HG1 . 6529 1 102 . 1 1 10 10 GLU HG3 H 1 2.422 0.01 . 2 . . . . 10 GLU HG2 . 6529 1 103 . 1 1 10 10 GLU C C 13 179.658 0.1 . 1 . . . . 10 GLU C . 6529 1 104 . 1 1 10 10 GLU CA C 13 59.522 0.05 . 1 . . . . 10 GLU CA . 6529 1 105 . 1 1 10 10 GLU CB C 13 28.966 0.1 . 1 . . . . 10 GLU CB . 6529 1 106 . 1 1 10 10 GLU CG C 13 36.052 0.1 . 1 . . . . 10 GLU CG . 6529 1 107 . 1 1 10 10 GLU N N 15 120.265 0.1 . 1 . . . . 10 GLU N . 6529 1 108 . 1 1 11 11 GLN H H 1 8.017 0.01 . 1 . . . . 11 GLN H . 6529 1 109 . 1 1 11 11 GLN HA H 1 3.951 0.01 . 1 . . . . 11 GLN HA . 6529 1 110 . 1 1 11 11 GLN HB2 H 1 2.016 0.01 . 2 . . . . 11 GLN HB2 . 6529 1 111 . 1 1 11 11 GLN HB3 H 1 2.221 0.01 . 2 . . . . 11 GLN HB3 . 6529 1 112 . 1 1 11 11 GLN HG2 H 1 2.793 0.01 . 2 . . . . 11 GLN HG2 . 6529 1 113 . 1 1 11 11 GLN HG3 H 1 2.403 0.01 . 2 . . . . 11 GLN HG3 . 6529 1 114 . 1 1 11 11 GLN HE21 H 1 7.426 0.01 . 2 . . . . 11 GLN HE21 . 6529 1 115 . 1 1 11 11 GLN HE22 H 1 6.761 0.01 . 2 . . . . 11 GLN HE22 . 6529 1 116 . 1 1 11 11 GLN C C 13 178.326 0.1 . 1 . . . . 11 GLN C . 6529 1 117 . 1 1 11 11 GLN CA C 13 59.987 0.05 . 1 . . . . 11 GLN CA . 6529 1 118 . 1 1 11 11 GLN CB C 13 28.633 0.1 . 1 . . . . 11 GLN CB . 6529 1 119 . 1 1 11 11 GLN CG C 13 34.568 0.1 . 1 . . . . 11 GLN CG . 6529 1 120 . 1 1 11 11 GLN N N 15 119.117 0.1 . 1 . . . . 11 GLN N . 6529 1 121 . 1 1 11 11 GLN NE2 N 15 109.903 0.1 . 1 . . . . 11 GLN NE2 . 6529 1 122 . 1 1 12 12 MET H H 1 8.114 0.01 . 1 . . . . 12 MET H . 6529 1 123 . 1 1 12 12 MET HA H 1 4.030 0.01 . 1 . . . . 12 MET HA . 6529 1 124 . 1 1 12 12 MET HB2 H 1 2.156 0.01 . 2 . . . . 12 MET HB2 . 6529 1 125 . 1 1 12 12 MET HB3 H 1 2.322 0.01 . 2 . . . . 12 MET HB3 . 6529 1 126 . 1 1 12 12 MET HG2 H 1 2.687 0.01 . 1 . . . . 12 MET HG2 . 6529 1 127 . 1 1 12 12 MET HG3 H 1 2.687 0.01 . 1 . . . . 12 MET HG3 . 6529 1 128 . 1 1 12 12 MET HE1 H 1 1.904 0.01 . 1 . . . . 12 MET HE . 6529 1 129 . 1 1 12 12 MET HE2 H 1 1.904 0.01 . 1 . . . . 12 MET HE . 6529 1 130 . 1 1 12 12 MET HE3 H 1 1.904 0.01 . 1 . . . . 12 MET HE . 6529 1 131 . 1 1 12 12 MET C C 13 178.759 0.1 . 1 . . . . 12 MET C . 6529 1 132 . 1 1 12 12 MET CA C 13 58.859 0.05 . 1 . . . . 12 MET CA . 6529 1 133 . 1 1 12 12 MET CB C 13 32.856 0.1 . 1 . . . . 12 MET CB . 6529 1 134 . 1 1 12 12 MET CG C 13 33.148 0.1 . 1 . . . . 12 MET CG . 6529 1 135 . 1 1 12 12 MET CE C 13 17.817 0.1 . 1 . . . . 12 MET CE . 6529 1 136 . 1 1 12 12 MET N N 15 118.796 0.1 . 1 . . . . 12 MET N . 6529 1 137 . 1 1 13 13 GLN H H 1 8.025 0.01 . 1 . . . . 13 GLN H . 6529 1 138 . 1 1 13 13 GLN HA H 1 4.010 0.01 . 1 . . . . 13 GLN HA . 6529 1 139 . 1 1 13 13 GLN HB2 H 1 2.236 0.01 . 1 . . . . 13 GLN HB2 . 6529 1 140 . 1 1 13 13 GLN HB3 H 1 2.236 0.01 . 1 . . . . 13 GLN HB3 . 6529 1 141 . 1 1 13 13 GLN HG2 H 1 2.519 0.01 . 2 . . . . 13 GLN HG2 . 6529 1 142 . 1 1 13 13 GLN HG3 H 1 2.335 0.01 . 2 . . . . 13 GLN HG3 . 6529 1 143 . 1 1 13 13 GLN HE21 H 1 7.567 0.01 . 2 . . . . 13 GLN HE21 . 6529 1 144 . 1 1 13 13 GLN HE22 H 1 6.974 0.01 . 2 . . . . 13 GLN HE22 . 6529 1 145 . 1 1 13 13 GLN C C 13 179.769 0.1 . 1 . . . . 13 GLN C . 6529 1 146 . 1 1 13 13 GLN CA C 13 59.408 0.05 . 1 . . . . 13 GLN CA . 6529 1 147 . 1 1 13 13 GLN CB C 13 28.196 0.1 . 1 . . . . 13 GLN CB . 6529 1 148 . 1 1 13 13 GLN CG C 13 34.079 0.1 . 1 . . . . 13 GLN CG . 6529 1 149 . 1 1 13 13 GLN N N 15 119.616 0.1 . 1 . . . . 13 GLN N . 6529 1 150 . 1 1 13 13 GLN NE2 N 15 110.737 0.1 . 1 . . . . 13 GLN NE2 . 6529 1 151 . 1 1 14 14 ARG H H 1 8.111 0.01 . 1 . . . . 14 ARG H . 6529 1 152 . 1 1 14 14 ARG HA H 1 4.170 0.01 . 1 . . . . 14 ARG HA . 6529 1 153 . 1 1 14 14 ARG HB2 H 1 2.073 0.01 . 1 . . . . 14 ARG HB2 . 6529 1 154 . 1 1 14 14 ARG HB3 H 1 2.073 0.01 . 1 . . . . 14 ARG HB3 . 6529 1 155 . 1 1 14 14 ARG HG2 H 1 1.820 0.01 . 1 . . . . 14 ARG HG2 . 6529 1 156 . 1 1 14 14 ARG HG3 H 1 1.820 0.01 . 1 . . . . 14 ARG HG3 . 6529 1 157 . 1 1 14 14 ARG HD2 H 1 3.287 0.01 . 1 . . . . 14 ARG HD2 . 6529 1 158 . 1 1 14 14 ARG HD3 H 1 3.287 0.01 . 1 . . . . 14 ARG HD3 . 6529 1 159 . 1 1 14 14 ARG C C 13 177.697 0.1 . 1 . . . . 14 ARG C . 6529 1 160 . 1 1 14 14 ARG CA C 13 59.259 0.05 . 1 . . . . 14 ARG CA . 6529 1 161 . 1 1 14 14 ARG CB C 13 30.076 0.1 . 1 . . . . 14 ARG CB . 6529 1 162 . 1 1 14 14 ARG CG C 13 27.596 0.1 . 1 . . . . 14 ARG CG . 6529 1 163 . 1 1 14 14 ARG CD C 13 43.910 0.1 . 1 . . . . 14 ARG CD . 6529 1 164 . 1 1 14 14 ARG N N 15 121.256 0.1 . 1 . . . . 14 ARG N . 6529 1 165 . 1 1 15 15 GLN H H 1 7.456 0.01 . 1 . . . . 15 GLN H . 6529 1 166 . 1 1 15 15 GLN HA H 1 4.678 0.01 . 1 . . . . 15 GLN HA . 6529 1 167 . 1 1 15 15 GLN HB2 H 1 1.770 0.01 . 2 . . . . 15 GLN HB2 . 6529 1 168 . 1 1 15 15 GLN HB3 H 1 2.531 0.01 . 2 . . . . 15 GLN HB3 . 6529 1 169 . 1 1 15 15 GLN HG2 H 1 2.585 0.01 . 2 . . . . 15 GLN HG2 . 6529 1 170 . 1 1 15 15 GLN HG3 H 1 2.493 0.01 . 2 . . . . 15 GLN HG3 . 6529 1 171 . 1 1 15 15 GLN HE21 H 1 7.822 0.01 . 2 . . . . 15 GLN HE21 . 6529 1 172 . 1 1 15 15 GLN HE22 H 1 6.977 0.01 . 2 . . . . 15 GLN HE22 . 6529 1 173 . 1 1 15 15 GLN C C 13 175.332 0.1 . 1 . . . . 15 GLN C . 6529 1 174 . 1 1 15 15 GLN CA C 13 53.315 0.05 . 1 . . . . 15 GLN CA . 6529 1 175 . 1 1 15 15 GLN CB C 13 27.409 0.1 . 1 . . . . 15 GLN CB . 6529 1 176 . 1 1 15 15 GLN CG C 13 32.929 0.1 . 1 . . . . 15 GLN CG . 6529 1 177 . 1 1 15 15 GLN N N 15 116.335 0.1 . 1 . . . . 15 GLN N . 6529 1 178 . 1 1 15 15 GLN NE2 N 15 110.694 0.1 . 1 . . . . 15 GLN NE2 . 6529 1 179 . 1 1 16 16 GLN H H 1 7.671 0.01 . 1 . . . . 16 GLN H . 6529 1 180 . 1 1 16 16 GLN HA H 1 3.942 0.01 . 1 . . . . 16 GLN HA . 6529 1 181 . 1 1 16 16 GLN HB2 H 1 2.198 0.01 . 2 . . . . 16 GLN HB2 . 6529 1 182 . 1 1 16 16 GLN HB3 H 1 2.321 0.01 . 2 . . . . 16 GLN HB3 . 6529 1 183 . 1 1 16 16 GLN HG2 H 1 2.369 0.01 . 1 . . . . 16 GLN HG2 . 6529 1 184 . 1 1 16 16 GLN HG3 H 1 2.369 0.01 . 1 . . . . 16 GLN HG3 . 6529 1 185 . 1 1 16 16 GLN HE21 H 1 7.548 0.01 . 2 . . . . 16 GLN HE21 . 6529 1 186 . 1 1 16 16 GLN HE22 H 1 6.859 0.01 . 2 . . . . 16 GLN HE22 . 6529 1 187 . 1 1 16 16 GLN C C 13 176.632 0.1 . 1 . . . . 16 GLN C . 6529 1 188 . 1 1 16 16 GLN CA C 13 56.670 0.05 . 1 . . . . 16 GLN CA . 6529 1 189 . 1 1 16 16 GLN CB C 13 26.090 0.1 . 1 . . . . 16 GLN CB . 6529 1 190 . 1 1 16 16 GLN CG C 13 34.333 0.1 . 1 . . . . 16 GLN CG . 6529 1 191 . 1 1 16 16 GLN N N 15 112.570 0.1 . 1 . . . . 16 GLN N . 6529 1 192 . 1 1 16 16 GLN NE2 N 15 112.766 0.1 . 1 . . . . 16 GLN NE2 . 6529 1 193 . 1 1 17 17 MET H H 1 8.834 0.01 . 1 . . . . 17 MET H . 6529 1 194 . 1 1 17 17 MET HA H 1 3.844 0.01 . 1 . . . . 17 MET HA . 6529 1 195 . 1 1 17 17 MET HB2 H 1 2.030 0.01 . 2 . . . . 17 MET HB2 . 6529 1 196 . 1 1 17 17 MET HB3 H 1 2.195 0.01 . 2 . . . . 17 MET HB3 . 6529 1 197 . 1 1 17 17 MET HG2 H 1 2.633 0.01 . 1 . . . . 17 MET HG2 . 6529 1 198 . 1 1 17 17 MET HG3 H 1 2.633 0.01 . 1 . . . . 17 MET HG3 . 6529 1 199 . 1 1 17 17 MET HE1 H 1 1.954 0.01 . 1 . . . . 17 MET HE . 6529 1 200 . 1 1 17 17 MET HE2 H 1 1.954 0.01 . 1 . . . . 17 MET HE . 6529 1 201 . 1 1 17 17 MET HE3 H 1 1.954 0.01 . 1 . . . . 17 MET HE . 6529 1 202 . 1 1 17 17 MET C C 13 176.072 0.1 . 1 . . . . 17 MET C . 6529 1 203 . 1 1 17 17 MET CA C 13 54.994 0.05 . 1 . . . . 17 MET CA . 6529 1 204 . 1 1 17 17 MET CB C 13 28.169 0.1 . 1 . . . . 17 MET CB . 6529 1 205 . 1 1 17 17 MET CG C 13 32.605 0.1 . 1 . . . . 17 MET CG . 6529 1 206 . 1 1 17 17 MET CE C 13 18.040 0.1 . 1 . . . . 17 MET CE . 6529 1 207 . 1 1 17 17 MET N N 15 110.792 0.1 . 1 . . . . 17 MET N . 6529 1 208 . 1 1 18 18 LEU H H 1 8.066 0.01 . 1 . . . . 18 LEU H . 6529 1 209 . 1 1 18 18 LEU HA H 1 3.921 0.01 . 1 . . . . 18 LEU HA . 6529 1 210 . 1 1 18 18 LEU HB2 H 1 1.209 0.01 . 2 . . . . 18 LEU HB2 . 6529 1 211 . 1 1 18 18 LEU HB3 H 1 2.116 0.01 . 2 . . . . 18 LEU HB3 . 6529 1 212 . 1 1 18 18 LEU HG H 1 1.593 0.01 . 1 . . . . 18 LEU HG . 6529 1 213 . 1 1 18 18 LEU HD11 H 1 0.900 0.01 . 2 . . . . 18 LEU HD1 . 6529 1 214 . 1 1 18 18 LEU HD12 H 1 0.900 0.01 . 2 . . . . 18 LEU HD1 . 6529 1 215 . 1 1 18 18 LEU HD13 H 1 0.900 0.01 . 2 . . . . 18 LEU HD1 . 6529 1 216 . 1 1 18 18 LEU HD21 H 1 0.790 0.01 . 2 . . . . 18 LEU HD2 . 6529 1 217 . 1 1 18 18 LEU HD22 H 1 0.790 0.01 . 2 . . . . 18 LEU HD2 . 6529 1 218 . 1 1 18 18 LEU HD23 H 1 0.790 0.01 . 2 . . . . 18 LEU HD2 . 6529 1 219 . 1 1 18 18 LEU C C 13 179.128 0.1 . 1 . . . . 18 LEU C . 6529 1 220 . 1 1 18 18 LEU CA C 13 55.155 0.05 . 1 . . . . 18 LEU CA . 6529 1 221 . 1 1 18 18 LEU CB C 13 39.437 0.1 . 1 . . . . 18 LEU CB . 6529 1 222 . 1 1 18 18 LEU CG C 13 26.965 0.1 . 1 . . . . 18 LEU CG . 6529 1 223 . 1 1 18 18 LEU CD1 C 13 23.052 0.1 . 1 . . . . 18 LEU CD1 . 6529 1 224 . 1 1 18 18 LEU CD2 C 13 25.772 0.1 . 1 . . . . 18 LEU CD2 . 6529 1 225 . 1 1 18 18 LEU N N 15 111.161 0.1 . 1 . . . . 18 LEU N . 6529 1 226 . 1 1 19 19 SER H H 1 7.310 0.01 . 1 . . . . 19 SER H . 6529 1 227 . 1 1 19 19 SER HA H 1 4.243 0.01 . 1 . . . . 19 SER HA . 6529 1 228 . 1 1 19 19 SER HB2 H 1 3.744 0.01 . 2 . . . . 19 SER HB2 . 6529 1 229 . 1 1 19 19 SER HB3 H 1 3.893 0.01 . 2 . . . . 19 SER HB3 . 6529 1 230 . 1 1 19 19 SER C C 13 177.252 0.1 . 1 . . . . 19 SER C . 6529 1 231 . 1 1 19 19 SER CA C 13 61.743 0.05 . 1 . . . . 19 SER CA . 6529 1 232 . 1 1 19 19 SER CB C 13 61.904 0.1 . 1 . . . . 19 SER CB . 6529 1 233 . 1 1 19 19 SER N N 15 114.266 0.1 . 1 . . . . 19 SER N . 6529 1 234 . 1 1 20 20 HIS H H 1 9.976 0.01 . 1 . . . . 20 HIS H . 6529 1 235 . 1 1 20 20 HIS HA H 1 4.451 0.01 . 1 . . . . 20 HIS HA . 6529 1 236 . 1 1 20 20 HIS HB2 H 1 2.857 0.01 . 2 . . . . 20 HIS HB2 . 6529 1 237 . 1 1 20 20 HIS HB3 H 1 3.354 0.01 . 2 . . . . 20 HIS HB3 . 6529 1 238 . 1 1 20 20 HIS HD1 H 1 7.615 0.01 . 3 . . . . 20 HIS HD1 . 6529 1 239 . 1 1 20 20 HIS HD2 H 1 7.615 0.01 . 3 . . . . 20 HIS HD2 . 6529 1 240 . 1 1 20 20 HIS HE1 H 1 6.979 0.01 . 3 . . . . 20 HIS HE1 . 6529 1 241 . 1 1 20 20 HIS HE2 H 1 6.979 0.01 . 3 . . . . 20 HIS HE2 . 6529 1 242 . 1 1 20 20 HIS C C 13 178.765 0.1 . 1 . . . . 20 HIS C . 6529 1 243 . 1 1 20 20 HIS CA C 13 60.801 0.05 . 1 . . . . 20 HIS CA . 6529 1 244 . 1 1 20 20 HIS CB C 13 29.926 0.1 . 1 . . . . 20 HIS CB . 6529 1 245 . 1 1 20 20 HIS N N 15 122.661 0.1 . 1 . . . . 20 HIS N . 6529 1 246 . 1 1 21 21 CYS H H 1 7.768 0.01 . 1 . . . . 21 CYS H . 6529 1 247 . 1 1 21 21 CYS HA H 1 4.692 0.01 . 1 . . . . 21 CYS HA . 6529 1 248 . 1 1 21 21 CYS HB2 H 1 3.544 0.01 . 2 . . . . 21 CYS HB2 . 6529 1 249 . 1 1 21 21 CYS HB3 H 1 2.959 0.01 . 2 . . . . 21 CYS HB3 . 6529 1 250 . 1 1 21 21 CYS C C 13 176.447 0.1 . 1 . . . . 21 CYS C . 6529 1 251 . 1 1 21 21 CYS CA C 13 57.305 0.05 . 1 . . . . 21 CYS CA . 6529 1 252 . 1 1 21 21 CYS CB C 13 39.704 0.1 . 1 . . . . 21 CYS CB . 6529 1 253 . 1 1 21 21 CYS N N 15 119.944 0.1 . 1 . . . . 21 CYS N . 6529 1 254 . 1 1 22 22 ARG H H 1 8.168 0.01 . 1 . . . . 22 ARG H . 6529 1 255 . 1 1 22 22 ARG HA H 1 4.080 0.01 . 1 . . . . 22 ARG HA . 6529 1 256 . 1 1 22 22 ARG HB2 H 1 1.966 0.01 . 2 . . . . 22 ARG HB2 . 6529 1 257 . 1 1 22 22 ARG HB3 H 1 1.829 0.01 . 2 . . . . 22 ARG HB3 . 6529 1 258 . 1 1 22 22 ARG HG2 H 1 1.583 0.01 . 1 . . . . 22 ARG HG2 . 6529 1 259 . 1 1 22 22 ARG HG3 H 1 1.583 0.01 . 1 . . . . 22 ARG HG3 . 6529 1 260 . 1 1 22 22 ARG HD2 H 1 3.251 0.01 . 1 . . . . 22 ARG HD2 . 6529 1 261 . 1 1 22 22 ARG HD3 H 1 3.251 0.01 . 1 . . . . 22 ARG HD3 . 6529 1 262 . 1 1 22 22 ARG C C 13 178.354 0.1 . 1 . . . . 22 ARG C . 6529 1 263 . 1 1 22 22 ARG CA C 13 60.263 0.05 . 1 . . . . 22 ARG CA . 6529 1 264 . 1 1 22 22 ARG CB C 13 29.857 0.1 . 1 . . . . 22 ARG CB . 6529 1 265 . 1 1 22 22 ARG CG C 13 28.449 0.1 . 1 . . . . 22 ARG CG . 6529 1 266 . 1 1 22 22 ARG CD C 13 43.739 0.1 . 1 . . . . 22 ARG CD . 6529 1 267 . 1 1 22 22 ARG N N 15 122.241 0.1 . 1 . . . . 22 ARG N . 6529 1 268 . 1 1 23 23 MET H H 1 7.857 0.01 . 1 . . . . 23 MET H . 6529 1 269 . 1 1 23 23 MET HA H 1 3.934 0.01 . 1 . . . . 23 MET HA . 6529 1 270 . 1 1 23 23 MET HB2 H 1 2.072 0.01 . 1 . . . . 23 MET HB2 . 6529 1 271 . 1 1 23 23 MET HB3 H 1 2.072 0.01 . 1 . . . . 23 MET HB3 . 6529 1 272 . 1 1 23 23 MET HG2 H 1 2.454 0.01 . 2 . . . . 23 MET HG2 . 6529 1 273 . 1 1 23 23 MET HG3 H 1 2.328 0.01 . 2 . . . . 23 MET HG3 . 6529 1 274 . 1 1 23 23 MET HE1 H 1 1.789 0.01 . 1 . . . . 23 MET HE . 6529 1 275 . 1 1 23 23 MET HE2 H 1 1.789 0.01 . 1 . . . . 23 MET HE . 6529 1 276 . 1 1 23 23 MET HE3 H 1 1.789 0.01 . 1 . . . . 23 MET HE . 6529 1 277 . 1 1 23 23 MET C C 13 178.507 0.1 . 1 . . . . 23 MET C . 6529 1 278 . 1 1 23 23 MET CA C 13 59.085 0.05 . 1 . . . . 23 MET CA . 6529 1 279 . 1 1 23 23 MET CB C 13 32.416 0.1 . 1 . . . . 23 MET CB . 6529 1 280 . 1 1 23 23 MET CG C 13 32.475 0.1 . 1 . . . . 23 MET CG . 6529 1 281 . 1 1 23 23 MET CE C 13 18.412 0.1 . 1 . . . . 23 MET CE . 6529 1 282 . 1 1 23 23 MET N N 15 117.809 0.1 . 1 . . . . 23 MET N . 6529 1 283 . 1 1 24 24 TYR H H 1 8.223 0.01 . 1 . . . . 24 TYR H . 6529 1 284 . 1 1 24 24 TYR HA H 1 4.388 0.01 . 1 . . . . 24 TYR HA . 6529 1 285 . 1 1 24 24 TYR HB2 H 1 3.296 0.01 . 1 . . . . 24 TYR HB2 . 6529 1 286 . 1 1 24 24 TYR HB3 H 1 3.296 0.01 . 1 . . . . 24 TYR HB3 . 6529 1 287 . 1 1 24 24 TYR HD1 H 1 7.127 0.01 . 1 . . . . 24 TYR HD1 . 6529 1 288 . 1 1 24 24 TYR HD2 H 1 7.127 0.01 . 1 . . . . 24 TYR HD2 . 6529 1 289 . 1 1 24 24 TYR C C 13 176.841 0.1 . 1 . . . . 24 TYR C . 6529 1 290 . 1 1 24 24 TYR CA C 13 60.952 0.05 . 1 . . . . 24 TYR CA . 6529 1 291 . 1 1 24 24 TYR CB C 13 37.960 0.1 . 1 . . . . 24 TYR CB . 6529 1 292 . 1 1 24 24 TYR N N 15 120.974 0.1 . 1 . . . . 24 TYR N . 6529 1 293 . 1 1 25 25 MET H H 1 8.136 0.01 . 1 . . . . 25 MET H . 6529 1 294 . 1 1 25 25 MET HA H 1 3.834 0.01 . 1 . . . . 25 MET HA . 6529 1 295 . 1 1 25 25 MET HB2 H 1 1.865 0.01 . 2 . . . . 25 MET HB2 . 6529 1 296 . 1 1 25 25 MET HB3 H 1 2.263 0.01 . 2 . . . . 25 MET HB3 . 6529 1 297 . 1 1 25 25 MET HG2 H 1 2.680 0.01 . 1 . . . . 25 MET HG2 . 6529 1 298 . 1 1 25 25 MET HG3 H 1 2.680 0.01 . 1 . . . . 25 MET HG3 . 6529 1 299 . 1 1 25 25 MET HE1 H 1 2.045 0.01 . 1 . . . . 25 MET HE . 6529 1 300 . 1 1 25 25 MET HE2 H 1 2.045 0.01 . 1 . . . . 25 MET HE . 6529 1 301 . 1 1 25 25 MET HE3 H 1 2.045 0.01 . 1 . . . . 25 MET HE . 6529 1 302 . 1 1 25 25 MET C C 13 178.299 0.1 . 1 . . . . 25 MET C . 6529 1 303 . 1 1 25 25 MET CA C 13 57.137 0.05 . 1 . . . . 25 MET CA . 6529 1 304 . 1 1 25 25 MET CB C 13 31.281 0.1 . 1 . . . . 25 MET CB . 6529 1 305 . 1 1 25 25 MET CG C 13 32.527 0.1 . 1 . . . . 25 MET CG . 6529 1 306 . 1 1 25 25 MET CE C 13 18.412 0.1 . 1 . . . . 25 MET CE . 6529 1 307 . 1 1 25 25 MET N N 15 118.348 0.1 . 1 . . . . 25 MET N . 6529 1 308 . 1 1 26 26 ARG H H 1 8.306 0.01 . 1 . . . . 26 ARG H . 6529 1 309 . 1 1 26 26 ARG HA H 1 3.862 0.01 . 1 . . . . 26 ARG HA . 6529 1 310 . 1 1 26 26 ARG HB2 H 1 1.868 0.01 . 1 . . . . 26 ARG HB2 . 6529 1 311 . 1 1 26 26 ARG HB3 H 1 1.868 0.01 . 1 . . . . 26 ARG HB3 . 6529 1 312 . 1 1 26 26 ARG HG2 H 1 1.614 0.01 . 2 . . . . 26 ARG HG2 . 6529 1 313 . 1 1 26 26 ARG HG3 H 1 1.754 0.01 . 2 . . . . 26 ARG HG3 . 6529 1 314 . 1 1 26 26 ARG HD2 H 1 3.147 0.01 . 1 . . . . 26 ARG HD2 . 6529 1 315 . 1 1 26 26 ARG HD3 H 1 3.147 0.01 . 1 . . . . 26 ARG HD3 . 6529 1 316 . 1 1 26 26 ARG C C 13 178.829 0.1 . 1 . . . . 26 ARG C . 6529 1 317 . 1 1 26 26 ARG CA C 13 59.330 0.05 . 1 . . . . 26 ARG CA . 6529 1 318 . 1 1 26 26 ARG CB C 13 29.880 0.1 . 1 . . . . 26 ARG CB . 6529 1 319 . 1 1 26 26 ARG CG C 13 27.306 0.1 . 1 . . . . 26 ARG CG . 6529 1 320 . 1 1 26 26 ARG CD C 13 43.218 0.1 . 1 . . . . 26 ARG CD . 6529 1 321 . 1 1 26 26 ARG N N 15 118.274 0.1 . 1 . . . . 26 ARG N . 6529 1 322 . 1 1 27 27 GLN H H 1 7.811 0.01 . 1 . . . . 27 GLN H . 6529 1 323 . 1 1 27 27 GLN HA H 1 4.098 0.01 . 1 . . . . 27 GLN HA . 6529 1 324 . 1 1 27 27 GLN HB2 H 1 2.252 0.01 . 1 . . . . 27 GLN HB2 . 6529 1 325 . 1 1 27 27 GLN HB3 H 1 2.252 0.01 . 1 . . . . 27 GLN HB3 . 6529 1 326 . 1 1 27 27 GLN HG2 H 1 2.511 0.01 . 2 . . . . 27 GLN HG2 . 6529 1 327 . 1 1 27 27 GLN HG3 H 1 2.430 0.01 . 2 . . . . 27 GLN HG3 . 6529 1 328 . 1 1 27 27 GLN HE21 H 1 7.366 0.01 . 2 . . . . 27 GLN HE21 . 6529 1 329 . 1 1 27 27 GLN HE22 H 1 6.810 0.01 . 2 . . . . 27 GLN HE22 . 6529 1 330 . 1 1 27 27 GLN C C 13 178.554 0.1 . 1 . . . . 27 GLN C . 6529 1 331 . 1 1 27 27 GLN CA C 13 58.726 0.05 . 1 . . . . 27 GLN CA . 6529 1 332 . 1 1 27 27 GLN CB C 13 27.951 0.1 . 1 . . . . 27 GLN CB . 6529 1 333 . 1 1 27 27 GLN CG C 13 34.207 0.1 . 1 . . . . 27 GLN CG . 6529 1 334 . 1 1 27 27 GLN N N 15 117.900 0.1 . 1 . . . . 27 GLN N . 6529 1 335 . 1 1 27 27 GLN NE2 N 15 110.954 0.1 . 1 . . . . 27 GLN NE2 . 6529 1 336 . 1 1 28 28 GLN H H 1 7.774 0.01 . 1 . . . . 28 GLN H . 6529 1 337 . 1 1 28 28 GLN HA H 1 3.956 0.01 . 1 . . . . 28 GLN HA . 6529 1 338 . 1 1 28 28 GLN HB2 H 1 1.973 0.01 . 2 . . . . 28 GLN HB2 . 6529 1 339 . 1 1 28 28 GLN HB3 H 1 1.761 0.01 . 2 . . . . 28 GLN HB3 . 6529 1 340 . 1 1 28 28 GLN HG2 H 1 2.432 0.01 . 2 . . . . 28 GLN HG2 . 6529 1 341 . 1 1 28 28 GLN HG3 H 1 2.045 0.01 . 2 . . . . 28 GLN HG3 . 6529 1 342 . 1 1 28 28 GLN HE21 H 1 7.550 0.01 . 2 . . . . 28 GLN HE21 . 6529 1 343 . 1 1 28 28 GLN HE22 H 1 6.947 0.01 . 2 . . . . 28 GLN HE22 . 6529 1 344 . 1 1 28 28 GLN C C 13 178.185 0.1 . 1 . . . . 28 GLN C . 6529 1 345 . 1 1 28 28 GLN CA C 13 57.063 0.05 . 1 . . . . 28 GLN CA . 6529 1 346 . 1 1 28 28 GLN CB C 13 28.581 0.1 . 1 . . . . 28 GLN CB . 6529 1 347 . 1 1 28 28 GLN CG C 13 33.793 0.1 . 1 . . . . 28 GLN CG . 6529 1 348 . 1 1 28 28 GLN N N 15 116.689 0.1 . 1 . . . . 28 GLN N . 6529 1 349 . 1 1 28 28 GLN NE2 N 15 112.238 0.1 . 1 . . . . 28 GLN NE2 . 6529 1 350 . 1 1 29 29 MET H H 1 7.757 0.01 . 1 . . . . 29 MET H . 6529 1 351 . 1 1 29 29 MET HA H 1 4.302 0.01 . 1 . . . . 29 MET HA . 6529 1 352 . 1 1 29 29 MET HB2 H 1 2.150 0.01 . 1 . . . . 29 MET HB2 . 6529 1 353 . 1 1 29 29 MET HB3 H 1 2.150 0.01 . 1 . . . . 29 MET HB3 . 6529 1 354 . 1 1 29 29 MET HG2 H 1 2.570 0.01 . 2 . . . . 29 MET HG2 . 6529 1 355 . 1 1 29 29 MET HG3 H 1 2.664 0.01 . 2 . . . . 29 MET HG3 . 6529 1 356 . 1 1 29 29 MET HE1 H 1 2.141 0.01 . 1 . . . . 29 MET HE . 6529 1 357 . 1 1 29 29 MET HE2 H 1 2.141 0.01 . 1 . . . . 29 MET HE . 6529 1 358 . 1 1 29 29 MET HE3 H 1 2.141 0.01 . 1 . . . . 29 MET HE . 6529 1 359 . 1 1 29 29 MET C C 13 177.510 0.1 . 1 . . . . 29 MET C . 6529 1 360 . 1 1 29 29 MET CA C 13 56.971 0.05 . 1 . . . . 29 MET CA . 6529 1 361 . 1 1 29 29 MET CB C 13 30.198 0.1 . 1 . . . . 29 MET CB . 6529 1 362 . 1 1 29 29 MET CG C 13 32.426 0.1 . 1 . . . . 29 MET CG . 6529 1 363 . 1 1 29 29 MET CE C 13 18.412 0.1 . 1 . . . . 29 MET CE . 6529 1 364 . 1 1 29 29 MET N N 15 117.091 0.1 . 1 . . . . 29 MET N . 6529 1 365 . 1 1 30 30 GLU H H 1 7.624 0.01 . 1 . . . . 30 GLU H . 6529 1 366 . 1 1 30 30 GLU HA H 1 4.264 0.01 . 1 . . . . 30 GLU HA . 6529 1 367 . 1 1 30 30 GLU HB2 H 1 2.033 0.01 . 2 . . . . 30 GLU HB1 . 6529 1 368 . 1 1 30 30 GLU HB3 H 1 2.133 0.01 . 2 . . . . 30 GLU HB2 . 6529 1 369 . 1 1 30 30 GLU HG2 H 1 2.410 0.01 . 2 . . . . 30 GLU HG1 . 6529 1 370 . 1 1 30 30 GLU HG3 H 1 2.228 0.01 . 2 . . . . 30 GLU HG2 . 6529 1 371 . 1 1 30 30 GLU C C 13 177.010 0.1 . 1 . . . . 30 GLU C . 6529 1 372 . 1 1 30 30 GLU CA C 13 57.040 0.05 . 1 . . . . 30 GLU CA . 6529 1 373 . 1 1 30 30 GLU CB C 13 30.195 0.1 . 1 . . . . 30 GLU CB . 6529 1 374 . 1 1 30 30 GLU CG C 13 36.281 0.1 . 1 . . . . 30 GLU CG . 6529 1 375 . 1 1 30 30 GLU CD C 13 177.010 0.1 . 1 . . . . 30 GLU CD . 6529 1 376 . 1 1 30 30 GLU N N 15 118.887 0.1 . 1 . . . . 30 GLU N . 6529 1 377 . 1 1 31 31 GLU H H 1 8.000 0.01 . 1 . . . . 31 GLU H . 6529 1 378 . 1 1 31 31 GLU HA H 1 4.235 0.01 . 1 . . . . 31 GLU HA . 6529 1 379 . 1 1 31 31 GLU HB2 H 1 1.991 0.01 . 2 . . . . 31 GLU HB1 . 6529 1 380 . 1 1 31 31 GLU HB3 H 1 2.095 0.01 . 2 . . . . 31 GLU HB2 . 6529 1 381 . 1 1 31 31 GLU HG2 H 1 2.325 0.01 . 1 . . . . 31 GLU HG1 . 6529 1 382 . 1 1 31 31 GLU HG3 H 1 2.325 0.01 . 1 . . . . 31 GLU HG2 . 6529 1 383 . 1 1 31 31 GLU C C 13 176.915 0.1 . 1 . . . . 31 GLU C . 6529 1 384 . 1 1 31 31 GLU CA C 13 57.102 0.05 . 1 . . . . 31 GLU CA . 6529 1 385 . 1 1 31 31 GLU CB C 13 30.042 0.1 . 1 . . . . 31 GLU CB . 6529 1 386 . 1 1 31 31 GLU CG C 13 36.281 0.1 . 1 . . . . 31 GLU CG . 6529 1 387 . 1 1 31 31 GLU N N 15 120.325 0.1 . 1 . . . . 31 GLU N . 6529 1 388 . 1 1 32 32 SER H H 1 8.287 0.01 . 1 . . . . 32 SER H . 6529 1 389 . 1 1 32 32 SER HA H 1 4.437 0.01 . 1 . . . . 32 SER HA . 6529 1 390 . 1 1 32 32 SER HB2 H 1 3.907 0.01 . 1 . . . . 32 SER HB2 . 6529 1 391 . 1 1 32 32 SER HB3 H 1 3.907 0.01 . 1 . . . . 32 SER HB3 . 6529 1 392 . 1 1 32 32 SER C C 13 175.107 0.1 . 1 . . . . 32 SER C . 6529 1 393 . 1 1 32 32 SER CA C 13 59.138 0.05 . 1 . . . . 32 SER CA . 6529 1 394 . 1 1 32 32 SER CB C 13 63.695 0.1 . 1 . . . . 32 SER CB . 6529 1 395 . 1 1 32 32 SER N N 15 116.015 0.1 . 1 . . . . 32 SER N . 6529 1 396 . 1 1 33 33 THR H H 1 7.963 0.01 . 1 . . . . 33 THR H . 6529 1 397 . 1 1 33 33 THR HA H 1 4.242 0.01 . 1 . . . . 33 THR HA . 6529 1 398 . 1 1 33 33 THR HB H 1 4.133 0.01 . 1 . . . . 33 THR HB . 6529 1 399 . 1 1 33 33 THR HG21 H 1 1.100 0.01 . 1 . . . . 33 THR HG2 . 6529 1 400 . 1 1 33 33 THR HG22 H 1 1.100 0.01 . 1 . . . . 33 THR HG2 . 6529 1 401 . 1 1 33 33 THR HG23 H 1 1.100 0.01 . 1 . . . . 33 THR HG2 . 6529 1 402 . 1 1 33 33 THR C C 13 174.520 0.1 . 1 . . . . 33 THR C . 6529 1 403 . 1 1 33 33 THR CA C 13 62.654 0.05 . 1 . . . . 33 THR CA . 6529 1 404 . 1 1 33 33 THR CB C 13 69.683 0.1 . 1 . . . . 33 THR CB . 6529 1 405 . 1 1 33 33 THR CG2 C 13 21.604 0.1 . 1 . . . . 33 THR CG2 . 6529 1 406 . 1 1 33 33 THR N N 15 114.867 0.1 . 1 . . . . 33 THR N . 6529 1 407 . 1 1 34 34 TYR H H 1 7.956 0.01 . 1 . . . . 34 TYR H . 6529 1 408 . 1 1 34 34 TYR HA H 1 4.567 0.01 . 1 . . . . 34 TYR HA . 6529 1 409 . 1 1 34 34 TYR HB2 H 1 3.096 0.01 . 2 . . . . 34 TYR HB2 . 6529 1 410 . 1 1 34 34 TYR HB3 H 1 2.978 0.01 . 2 . . . . 34 TYR HB3 . 6529 1 411 . 1 1 34 34 TYR HD1 H 1 7.116 0.01 . 1 . . . . 34 TYR HD1 . 6529 1 412 . 1 1 34 34 TYR HD2 H 1 7.116 0.01 . 1 . . . . 34 TYR HD2 . 6529 1 413 . 1 1 34 34 TYR HE1 H 1 6.815 0.01 . 1 . . . . 34 TYR HE1 . 6529 1 414 . 1 1 34 34 TYR HE2 H 1 6.815 0.01 . 1 . . . . 34 TYR HE2 . 6529 1 415 . 1 1 34 34 TYR C C 13 175.755 0.1 . 1 . . . . 34 TYR C . 6529 1 416 . 1 1 34 34 TYR CA C 13 58.129 0.05 . 1 . . . . 34 TYR CA . 6529 1 417 . 1 1 34 34 TYR CB C 13 38.546 0.1 . 1 . . . . 34 TYR CB . 6529 1 418 . 1 1 34 34 TYR N N 15 121.044 0.1 . 1 . . . . 34 TYR N . 6529 1 419 . 1 1 35 35 GLN H H 1 8.101 0.01 . 1 . . . . 35 GLN H . 6529 1 420 . 1 1 35 35 GLN HA H 1 4.384 0.01 . 1 . . . . 35 GLN HA . 6529 1 421 . 1 1 35 35 GLN HB2 H 1 2.090 0.01 . 2 . . . . 35 GLN HB2 . 6529 1 422 . 1 1 35 35 GLN HB3 H 1 1.970 0.01 . 2 . . . . 35 GLN HB3 . 6529 1 423 . 1 1 35 35 GLN HG2 H 1 2.321 0.01 . 1 . . . . 35 GLN HG2 . 6529 1 424 . 1 1 35 35 GLN HG3 H 1 2.321 0.01 . 1 . . . . 35 GLN HG3 . 6529 1 425 . 1 1 35 35 GLN HE21 H 1 7.478 0.01 . 2 . . . . 35 GLN HE21 . 6529 1 426 . 1 1 35 35 GLN HE22 H 1 6.854 0.01 . 2 . . . . 35 GLN HE22 . 6529 1 427 . 1 1 35 35 GLN C C 13 175.846 0.1 . 1 . . . . 35 GLN C . 6529 1 428 . 1 1 35 35 GLN CA C 13 55.986 0.05 . 1 . . . . 35 GLN CA . 6529 1 429 . 1 1 35 35 GLN CB C 13 29.588 0.1 . 1 . . . . 35 GLN CB . 6529 1 430 . 1 1 35 35 GLN CG C 13 33.810 0.1 . 1 . . . . 35 GLN CG . 6529 1 431 . 1 1 35 35 GLN N N 15 121.225 0.1 . 1 . . . . 35 GLN N . 6529 1 432 . 1 1 35 35 GLN NE2 N 15 112.233 0.1 . 1 . . . . 35 GLN NE2 . 6529 1 433 . 1 1 36 36 THR H H 1 8.071 0.01 . 1 . . . . 36 THR H . 6529 1 434 . 1 1 36 36 THR HA H 1 4.297 0.01 . 1 . . . . 36 THR HA . 6529 1 435 . 1 1 36 36 THR HB H 1 4.197 0.01 . 1 . . . . 36 THR HB . 6529 1 436 . 1 1 36 36 THR HG21 H 1 1.200 0.01 . 1 . . . . 36 THR HG2 . 6529 1 437 . 1 1 36 36 THR HG22 H 1 1.200 0.01 . 1 . . . . 36 THR HG2 . 6529 1 438 . 1 1 36 36 THR HG23 H 1 1.200 0.01 . 1 . . . . 36 THR HG2 . 6529 1 439 . 1 1 36 36 THR C C 13 174.364 0.1 . 1 . . . . 36 THR C . 6529 1 440 . 1 1 36 36 THR CA C 13 61.945 0.05 . 1 . . . . 36 THR CA . 6529 1 441 . 1 1 36 36 THR CB C 13 69.875 0.1 . 1 . . . . 36 THR CB . 6529 1 442 . 1 1 36 36 THR CG2 C 13 21.798 0.1 . 1 . . . . 36 THR CG2 . 6529 1 443 . 1 1 36 36 THR N N 15 114.754 0.1 . 1 . . . . 36 THR N . 6529 1 444 . 1 1 37 37 MET H H 1 8.205 0.01 . 1 . . . . 37 MET H . 6529 1 445 . 1 1 37 37 MET HA H 1 4.807 0.01 . 1 . . . . 37 MET HA . 6529 1 446 . 1 1 37 37 MET HB2 H 1 2.007 0.01 . 2 . . . . 37 MET HB2 . 6529 1 447 . 1 1 37 37 MET HB3 H 1 2.115 0.01 . 2 . . . . 37 MET HB3 . 6529 1 448 . 1 1 37 37 MET HG2 H 1 2.585 0.01 . 2 . . . . 37 MET HG2 . 6529 1 449 . 1 1 37 37 MET HG3 H 1 2.635 0.01 . 2 . . . . 37 MET HG3 . 6529 1 450 . 1 1 37 37 MET HE1 H 1 2.126 0.01 . 1 . . . . 37 MET HE . 6529 1 451 . 1 1 37 37 MET HE2 H 1 2.126 0.01 . 1 . . . . 37 MET HE . 6529 1 452 . 1 1 37 37 MET HE3 H 1 2.126 0.01 . 1 . . . . 37 MET HE . 6529 1 453 . 1 1 37 37 MET CA C 13 53.425 0.05 . 1 . . . . 37 MET CA . 6529 1 454 . 1 1 37 37 MET CB C 13 32.609 0.1 . 1 . . . . 37 MET CB . 6529 1 455 . 1 1 37 37 MET CG C 13 31.984 0.1 . 1 . . . . 37 MET CG . 6529 1 456 . 1 1 37 37 MET CE C 13 18.487 0.1 . 1 . . . . 37 MET CE . 6529 1 457 . 1 1 37 37 MET N N 15 123.919 0.1 . 1 . . . . 37 MET N . 6529 1 458 . 1 1 38 38 PRO HA H 1 4.424 0.01 . 1 . . . . 38 PRO HA . 6529 1 459 . 1 1 38 38 PRO HB2 H 1 1.805 0.01 . 2 . . . . 38 PRO HB2 . 6529 1 460 . 1 1 38 38 PRO HB3 H 1 2.300 0.01 . 2 . . . . 38 PRO HB3 . 6529 1 461 . 1 1 38 38 PRO HG2 H 1 2.010 0.01 . 1 . . . . 38 PRO HG2 . 6529 1 462 . 1 1 38 38 PRO HG3 H 1 2.010 0.01 . 1 . . . . 38 PRO HG3 . 6529 1 463 . 1 1 38 38 PRO HD2 H 1 3.813 0.01 . 2 . . . . 38 PRO HD2 . 6529 1 464 . 1 1 38 38 PRO HD3 H 1 3.682 0.01 . 2 . . . . 38 PRO HD3 . 6529 1 465 . 1 1 38 38 PRO C C 13 176.575 0.1 . 1 . . . . 38 PRO C . 6529 1 466 . 1 1 38 38 PRO CA C 13 63.238 0.05 . 1 . . . . 38 PRO CA . 6529 1 467 . 1 1 38 38 PRO CB C 13 32.231 0.1 . 1 . . . . 38 PRO CB . 6529 1 468 . 1 1 38 38 PRO CG C 13 27.516 0.1 . 1 . . . . 38 PRO CG . 6529 1 469 . 1 1 38 38 PRO CD C 13 50.783 0.1 . 1 . . . . 38 PRO CD . 6529 1 470 . 1 1 39 39 ARG H H 1 8.354 0.01 . 1 . . . . 39 ARG H . 6529 1 471 . 1 1 39 39 ARG HA H 1 4.306 0.01 . 1 . . . . 39 ARG HA . 6529 1 472 . 1 1 39 39 ARG HB2 H 1 1.831 0.01 . 2 . . . . 39 ARG HB2 . 6529 1 473 . 1 1 39 39 ARG HB3 H 1 1.769 0.01 . 2 . . . . 39 ARG HB3 . 6529 1 474 . 1 1 39 39 ARG HG2 H 1 1.624 0.01 . 1 . . . . 39 ARG HG2 . 6529 1 475 . 1 1 39 39 ARG HG3 H 1 1.624 0.01 . 1 . . . . 39 ARG HG3 . 6529 1 476 . 1 1 39 39 ARG HD2 H 1 3.188 0.01 . 1 . . . . 39 ARG HD2 . 6529 1 477 . 1 1 39 39 ARG HD3 H 1 3.188 0.01 . 1 . . . . 39 ARG HD3 . 6529 1 478 . 1 1 39 39 ARG C C 13 176.139 0.1 . 1 . . . . 39 ARG C . 6529 1 479 . 1 1 39 39 ARG CA C 13 55.995 0.05 . 1 . . . . 39 ARG CA . 6529 1 480 . 1 1 39 39 ARG CB C 13 31.002 0.1 . 1 . . . . 39 ARG CB . 6529 1 481 . 1 1 39 39 ARG CG C 13 27.039 0.1 . 1 . . . . 39 ARG CG . 6529 1 482 . 1 1 39 39 ARG CD C 13 43.454 0.1 . 1 . . . . 39 ARG CD . 6529 1 483 . 1 1 39 39 ARG N N 15 121.403 0.1 . 1 . . . . 39 ARG N . 6529 1 484 . 1 1 40 40 ARG H H 1 8.411 0.01 . 1 . . . . 40 ARG H . 6529 1 485 . 1 1 40 40 ARG HA H 1 4.341 0.01 . 1 . . . . 40 ARG HA . 6529 1 486 . 1 1 40 40 ARG HB2 H 1 1.868 0.01 . 1 . . . . 40 ARG HB2 . 6529 1 487 . 1 1 40 40 ARG HB3 H 1 1.868 0.01 . 1 . . . . 40 ARG HB3 . 6529 1 488 . 1 1 40 40 ARG HG2 H 1 1.601 0.01 . 1 . . . . 40 ARG HG2 . 6529 1 489 . 1 1 40 40 ARG HG3 H 1 1.601 0.01 . 1 . . . . 40 ARG HG3 . 6529 1 490 . 1 1 40 40 ARG HD2 H 1 3.196 0.01 . 1 . . . . 40 ARG HD2 . 6529 1 491 . 1 1 40 40 ARG HD3 H 1 3.196 0.01 . 1 . . . . 40 ARG HD3 . 6529 1 492 . 1 1 40 40 ARG C C 13 176.530 0.1 . 1 . . . . 40 ARG C . 6529 1 493 . 1 1 40 40 ARG CA C 13 56.206 0.05 . 1 . . . . 40 ARG CA . 6529 1 494 . 1 1 40 40 ARG CB C 13 30.946 0.1 . 1 . . . . 40 ARG CB . 6529 1 495 . 1 1 40 40 ARG CG C 13 27.510 0.1 . 1 . . . . 40 ARG CG . 6529 1 496 . 1 1 40 40 ARG CD C 13 43.449 0.1 . 1 . . . . 40 ARG CD . 6529 1 497 . 1 1 40 40 ARG N N 15 122.405 0.1 . 1 . . . . 40 ARG N . 6529 1 498 . 1 1 41 41 GLY H H 1 8.354 0.01 . 1 . . . . 41 GLY H . 6529 1 499 . 1 1 41 41 GLY HA2 H 1 4.039 0.01 . 2 . . . . 41 GLY HA2 . 6529 1 500 . 1 1 41 41 GLY HA3 H 1 3.889 0.01 . 2 . . . . 41 GLY HA3 . 6529 1 501 . 1 1 41 41 GLY C C 13 173.654 0.1 . 1 . . . . 41 GLY C . 6529 1 502 . 1 1 41 41 GLY CA C 13 45.095 0.05 . 1 . . . . 41 GLY CA . 6529 1 503 . 1 1 41 41 GLY N N 15 110.278 0.1 . 1 . . . . 41 GLY N . 6529 1 504 . 1 1 42 42 MET H H 1 8.178 0.01 . 1 . . . . 42 MET H . 6529 1 505 . 1 1 42 42 MET HA H 1 4.454 0.01 . 1 . . . . 42 MET HA . 6529 1 506 . 1 1 42 42 MET HB2 H 1 2.015 0.01 . 1 . . . . 42 MET HB2 . 6529 1 507 . 1 1 42 42 MET HB3 H 1 2.015 0.01 . 1 . . . . 42 MET HB3 . 6529 1 508 . 1 1 42 42 MET HG2 H 1 2.615 0.01 . 2 . . . . 42 MET HG2 . 6529 1 509 . 1 1 42 42 MET HG3 H 1 2.532 0.01 . 2 . . . . 42 MET HG3 . 6529 1 510 . 1 1 42 42 MET HE1 H 1 2.071 0.01 . 1 . . . . 42 MET HE . 6529 1 511 . 1 1 42 42 MET HE2 H 1 2.071 0.01 . 1 . . . . 42 MET HE . 6529 1 512 . 1 1 42 42 MET HE3 H 1 2.071 0.01 . 1 . . . . 42 MET HE . 6529 1 513 . 1 1 42 42 MET C C 13 175.604 0.1 . 1 . . . . 42 MET C . 6529 1 514 . 1 1 42 42 MET CA C 13 55.211 0.05 . 1 . . . . 42 MET CA . 6529 1 515 . 1 1 42 42 MET CB C 13 33.528 0.1 . 1 . . . . 42 MET CB . 6529 1 516 . 1 1 42 42 MET CG C 13 32.493 0.1 . 1 . . . . 42 MET CG . 6529 1 517 . 1 1 42 42 MET CE C 13 18.263 0.1 . 1 . . . . 42 MET CE . 6529 1 518 . 1 1 42 42 MET N N 15 119.430 0.1 . 1 . . . . 42 MET N . 6529 1 519 . 1 1 43 43 GLU H H 1 9.342 0.01 . 1 . . . . 43 GLU H . 6529 1 520 . 1 1 43 43 GLU HA H 1 4.520 0.01 . 1 . . . . 43 GLU HA . 6529 1 521 . 1 1 43 43 GLU HB2 H 1 2.035 0.01 . 1 . . . . 43 GLU HB1 . 6529 1 522 . 1 1 43 43 GLU HB3 H 1 2.035 0.01 . 1 . . . . 43 GLU HB2 . 6529 1 523 . 1 1 43 43 GLU HG2 H 1 2.502 0.01 . 1 . . . . 43 GLU HG1 . 6529 1 524 . 1 1 43 43 GLU HG3 H 1 2.502 0.01 . 1 . . . . 43 GLU HG2 . 6529 1 525 . 1 1 43 43 GLU CA C 13 55.503 0.05 . 1 . . . . 43 GLU CA . 6529 1 526 . 1 1 43 43 GLU CB C 13 29.005 0.1 . 1 . . . . 43 GLU CB . 6529 1 527 . 1 1 43 43 GLU CG C 13 36.081 0.1 . 1 . . . . 43 GLU CG . 6529 1 528 . 1 1 43 43 GLU N N 15 124.210 0.1 . 1 . . . . 43 GLU N . 6529 1 529 . 1 1 44 44 PRO HA H 1 4.282 0.01 . 1 . . . . 44 PRO HA . 6529 1 530 . 1 1 44 44 PRO HB2 H 1 1.971 0.01 . 2 . . . . 44 PRO HB2 . 6529 1 531 . 1 1 44 44 PRO HB3 H 1 2.219 0.01 . 2 . . . . 44 PRO HB3 . 6529 1 532 . 1 1 44 44 PRO HG2 H 1 2.243 0.01 . 1 . . . . 44 PRO HG2 . 6529 1 533 . 1 1 44 44 PRO HG3 H 1 2.243 0.01 . 1 . . . . 44 PRO HG3 . 6529 1 534 . 1 1 44 44 PRO HD2 H 1 3.670 0.01 . 1 . . . . 44 PRO HD2 . 6529 1 535 . 1 1 44 44 PRO HD3 H 1 3.670 0.01 . 1 . . . . 44 PRO HD3 . 6529 1 536 . 1 1 44 44 PRO C C 13 177.258 0.1 . 1 . . . . 44 PRO C . 6529 1 537 . 1 1 44 44 PRO CA C 13 64.715 0.05 . 1 . . . . 44 PRO CA . 6529 1 538 . 1 1 44 44 PRO CB C 13 31.710 0.1 . 1 . . . . 44 PRO CB . 6529 1 539 . 1 1 44 44 PRO CG C 13 27.967 0.1 . 1 . . . . 44 PRO CG . 6529 1 540 . 1 1 44 44 PRO CD C 13 50.905 0.1 . 1 . . . . 44 PRO CD . 6529 1 541 . 1 1 45 45 HIS H H 1 8.776 0.01 . 1 . . . . 45 HIS H . 6529 1 542 . 1 1 45 45 HIS HA H 1 4.297 0.01 . 1 . . . . 45 HIS HA . 6529 1 543 . 1 1 45 45 HIS HB2 H 1 3.913 0.01 . 1 . . . . 45 HIS HB2 . 6529 1 544 . 1 1 45 45 HIS HB3 H 1 3.913 0.01 . 1 . . . . 45 HIS HB3 . 6529 1 545 . 1 1 45 45 HIS HE2 H 1 7.118 0.01 . 3 . . . . 45 HIS HE2 . 6529 1 546 . 1 1 45 45 HIS C C 13 174.959 0.1 . 1 . . . . 45 HIS C . 6529 1 547 . 1 1 45 45 HIS CA C 13 60.044 0.05 . 1 . . . . 45 HIS CA . 6529 1 548 . 1 1 45 45 HIS CB C 13 27.618 0.1 . 1 . . . . 45 HIS CB . 6529 1 549 . 1 1 45 45 HIS N N 15 113.856 0.1 . 1 . . . . 45 HIS N . 6529 1 550 . 1 1 46 46 MET H H 1 8.101 0.01 . 1 . . . . 46 MET H . 6529 1 551 . 1 1 46 46 MET HA H 1 3.923 0.01 . 1 . . . . 46 MET HA . 6529 1 552 . 1 1 46 46 MET HB2 H 1 1.744 0.01 . 2 . . . . 46 MET HB2 . 6529 1 553 . 1 1 46 46 MET HB3 H 1 2.185 0.01 . 2 . . . . 46 MET HB3 . 6529 1 554 . 1 1 46 46 MET HG2 H 1 2.338 0.01 . 2 . . . . 46 MET HG2 . 6529 1 555 . 1 1 46 46 MET HG3 H 1 2.088 0.01 . 2 . . . . 46 MET HG3 . 6529 1 556 . 1 1 46 46 MET HE1 H 1 1.550 0.01 . 1 . . . . 46 MET HE . 6529 1 557 . 1 1 46 46 MET HE2 H 1 1.550 0.01 . 1 . . . . 46 MET HE . 6529 1 558 . 1 1 46 46 MET HE3 H 1 1.550 0.01 . 1 . . . . 46 MET HE . 6529 1 559 . 1 1 46 46 MET C C 13 177.199 0.1 . 1 . . . . 46 MET C . 6529 1 560 . 1 1 46 46 MET CA C 13 58.476 0.05 . 1 . . . . 46 MET CA . 6529 1 561 . 1 1 46 46 MET CB C 13 33.993 0.1 . 1 . . . . 46 MET CB . 6529 1 562 . 1 1 46 46 MET CG C 13 32.186 0.1 . 1 . . . . 46 MET CG . 6529 1 563 . 1 1 46 46 MET CE C 13 17.371 0.1 . 1 . . . . 46 MET CE . 6529 1 564 . 1 1 46 46 MET N N 15 121.905 0.1 . 1 . . . . 46 MET N . 6529 1 565 . 1 1 47 47 SER H H 1 8.875 0.01 . 1 . . . . 47 SER H . 6529 1 566 . 1 1 47 47 SER HA H 1 3.863 0.01 . 1 . . . . 47 SER HA . 6529 1 567 . 1 1 47 47 SER HB2 H 1 3.745 0.01 . 1 . . . . 47 SER HB2 . 6529 1 568 . 1 1 47 47 SER HB3 H 1 3.745 0.01 . 1 . . . . 47 SER HB3 . 6529 1 569 . 1 1 47 47 SER C C 13 177.499 0.1 . 1 . . . . 47 SER C . 6529 1 570 . 1 1 47 47 SER CA C 13 62.763 0.05 . 1 . . . . 47 SER CA . 6529 1 571 . 1 1 47 47 SER CB C 13 62.158 0.1 . 1 . . . . 47 SER CB . 6529 1 572 . 1 1 47 47 SER N N 15 115.350 0.1 . 1 . . . . 47 SER N . 6529 1 573 . 1 1 48 48 GLU H H 1 9.326 0.01 . 1 . . . . 48 GLU H . 6529 1 574 . 1 1 48 48 GLU HA H 1 3.782 0.01 . 1 . . . . 48 GLU HA . 6529 1 575 . 1 1 48 48 GLU HB2 H 1 1.412 0.01 . 2 . . . . 48 GLU HB1 . 6529 1 576 . 1 1 48 48 GLU HB3 H 1 0.974 0.01 . 2 . . . . 48 GLU HB2 . 6529 1 577 . 1 1 48 48 GLU HG2 H 1 1.976 0.01 . 2 . . . . 48 GLU HG1 . 6529 1 578 . 1 1 48 48 GLU HG3 H 1 1.891 0.01 . 2 . . . . 48 GLU HG2 . 6529 1 579 . 1 1 48 48 GLU C C 13 179.023 0.1 . 1 . . . . 48 GLU C . 6529 1 580 . 1 1 48 48 GLU CA C 13 60.271 0.05 . 1 . . . . 48 GLU CA . 6529 1 581 . 1 1 48 48 GLU CB C 13 28.356 0.1 . 1 . . . . 48 GLU CB . 6529 1 582 . 1 1 48 48 GLU CG C 13 37.356 0.1 . 1 . . . . 48 GLU CG . 6529 1 583 . 1 1 48 48 GLU N N 15 121.586 0.1 . 1 . . . . 48 GLU N . 6529 1 584 . 1 1 49 49 CYS H H 1 8.139 0.01 . 1 . . . . 49 CYS H . 6529 1 585 . 1 1 49 49 CYS HA H 1 4.606 0.01 . 1 . . . . 49 CYS HA . 6529 1 586 . 1 1 49 49 CYS HB2 H 1 3.333 0.01 . 2 . . . . 49 CYS HB2 . 6529 1 587 . 1 1 49 49 CYS HB3 H 1 2.959 0.01 . 2 . . . . 49 CYS HB3 . 6529 1 588 . 1 1 49 49 CYS C C 13 175.813 0.1 . 1 . . . . 49 CYS C . 6529 1 589 . 1 1 49 49 CYS CA C 13 58.351 0.05 . 1 . . . . 49 CYS CA . 6529 1 590 . 1 1 49 49 CYS CB C 13 37.764 0.1 . 1 . . . . 49 CYS CB . 6529 1 591 . 1 1 49 49 CYS N N 15 119.786 0.1 . 1 . . . . 49 CYS N . 6529 1 592 . 1 1 50 50 CYS H H 1 8.695 0.01 . 1 . . . . 50 CYS H . 6529 1 593 . 1 1 50 50 CYS HA H 1 4.383 0.01 . 1 . . . . 50 CYS HA . 6529 1 594 . 1 1 50 50 CYS HB2 H 1 2.944 0.01 . 2 . . . . 50 CYS HB2 . 6529 1 595 . 1 1 50 50 CYS HB3 H 1 3.232 0.01 . 2 . . . . 50 CYS HB3 . 6529 1 596 . 1 1 50 50 CYS C C 13 176.815 0.1 . 1 . . . . 50 CYS C . 6529 1 597 . 1 1 50 50 CYS CA C 13 55.835 0.05 . 1 . . . . 50 CYS CA . 6529 1 598 . 1 1 50 50 CYS CB C 13 33.665 0.1 . 1 . . . . 50 CYS CB . 6529 1 599 . 1 1 50 50 CYS N N 15 117.281 0.1 . 1 . . . . 50 CYS N . 6529 1 600 . 1 1 51 51 GLU H H 1 7.900 0.01 . 1 . . . . 51 GLU H . 6529 1 601 . 1 1 51 51 GLU HA H 1 4.035 0.01 . 1 . . . . 51 GLU HA . 6529 1 602 . 1 1 51 51 GLU HB2 H 1 2.084 0.01 . 1 . . . . 51 GLU HB1 . 6529 1 603 . 1 1 51 51 GLU HB3 H 1 2.084 0.01 . 1 . . . . 51 GLU HB2 . 6529 1 604 . 1 1 51 51 GLU HG2 H 1 2.416 0.01 . 2 . . . . 51 GLU HG1 . 6529 1 605 . 1 1 51 51 GLU HG3 H 1 2.206 0.01 . 2 . . . . 51 GLU HG2 . 6529 1 606 . 1 1 51 51 GLU C C 13 179.538 0.1 . 1 . . . . 51 GLU C . 6529 1 607 . 1 1 51 51 GLU CA C 13 59.773 0.05 . 1 . . . . 51 GLU CA . 6529 1 608 . 1 1 51 51 GLU CB C 13 29.570 0.1 . 1 . . . . 51 GLU CB . 6529 1 609 . 1 1 51 51 GLU CG C 13 36.092 0.1 . 1 . . . . 51 GLU CG . 6529 1 610 . 1 1 51 51 GLU N N 15 119.965 0.1 . 1 . . . . 51 GLU N . 6529 1 611 . 1 1 52 52 GLN H H 1 7.889 0.01 . 1 . . . . 52 GLN H . 6529 1 612 . 1 1 52 52 GLN HA H 1 4.129 0.01 . 1 . . . . 52 GLN HA . 6529 1 613 . 1 1 52 52 GLN HB2 H 1 2.049 0.01 . 2 . . . . 52 GLN HB2 . 6529 1 614 . 1 1 52 52 GLN HB3 H 1 2.734 0.01 . 2 . . . . 52 GLN HB3 . 6529 1 615 . 1 1 52 52 GLN HG2 H 1 2.839 0.01 . 2 . . . . 52 GLN HG2 . 6529 1 616 . 1 1 52 52 GLN HG3 H 1 2.490 0.01 . 2 . . . . 52 GLN HG3 . 6529 1 617 . 1 1 52 52 GLN C C 13 178.776 0.1 . 1 . . . . 52 GLN C . 6529 1 618 . 1 1 52 52 GLN CA C 13 59.331 0.05 . 1 . . . . 52 GLN CA . 6529 1 619 . 1 1 52 52 GLN CB C 13 29.343 0.1 . 1 . . . . 52 GLN CB . 6529 1 620 . 1 1 52 52 GLN CG C 13 35.346 0.1 . 1 . . . . 52 GLN CG . 6529 1 621 . 1 1 52 52 GLN N N 15 119.780 0.1 . 1 . . . . 52 GLN N . 6529 1 622 . 1 1 53 53 LEU H H 1 8.516 0.01 . 1 . . . . 53 LEU H . 6529 1 623 . 1 1 53 53 LEU HA H 1 3.959 0.01 . 1 . . . . 53 LEU HA . 6529 1 624 . 1 1 53 53 LEU HB2 H 1 1.470 0.01 . 2 . . . . 53 LEU HB2 . 6529 1 625 . 1 1 53 53 LEU HB3 H 1 1.682 0.01 . 2 . . . . 53 LEU HB3 . 6529 1 626 . 1 1 53 53 LEU HG H 1 1.657 0.01 . 1 . . . . 53 LEU HG . 6529 1 627 . 1 1 53 53 LEU HD11 H 1 0.947 0.01 . 2 . . . . 53 LEU HD1 . 6529 1 628 . 1 1 53 53 LEU HD12 H 1 0.947 0.01 . 2 . . . . 53 LEU HD1 . 6529 1 629 . 1 1 53 53 LEU HD13 H 1 0.947 0.01 . 2 . . . . 53 LEU HD1 . 6529 1 630 . 1 1 53 53 LEU HD21 H 1 0.821 0.01 . 2 . . . . 53 LEU HD2 . 6529 1 631 . 1 1 53 53 LEU HD22 H 1 0.821 0.01 . 2 . . . . 53 LEU HD2 . 6529 1 632 . 1 1 53 53 LEU HD23 H 1 0.821 0.01 . 2 . . . . 53 LEU HD2 . 6529 1 633 . 1 1 53 53 LEU C C 13 179.770 0.1 . 1 . . . . 53 LEU C . 6529 1 634 . 1 1 53 53 LEU CA C 13 57.618 0.05 . 1 . . . . 53 LEU CA . 6529 1 635 . 1 1 53 53 LEU CB C 13 43.358 0.1 . 1 . . . . 53 LEU CB . 6529 1 636 . 1 1 53 53 LEU CG C 13 26.890 0.1 . 1 . . . . 53 LEU CG . 6529 1 637 . 1 1 53 53 LEU CD1 C 13 25.861 0.1 . 1 . . . . 53 LEU CD1 . 6529 1 638 . 1 1 53 53 LEU CD2 C 13 23.244 0.1 . 1 . . . . 53 LEU CD2 . 6529 1 639 . 1 1 53 53 LEU N N 15 118.960 0.1 . 1 . . . . 53 LEU N . 6529 1 640 . 1 1 54 54 GLU H H 1 8.737 0.01 . 1 . . . . 54 GLU H . 6529 1 641 . 1 1 54 54 GLU HA H 1 3.855 0.01 . 1 . . . . 54 GLU HA . 6529 1 642 . 1 1 54 54 GLU HB2 H 1 2.104 0.01 . 2 . . . . 54 GLU HB1 . 6529 1 643 . 1 1 54 54 GLU HB3 H 1 2.221 0.01 . 2 . . . . 54 GLU HB2 . 6529 1 644 . 1 1 54 54 GLU HG2 H 1 2.333 0.01 . 1 . . . . 54 GLU HG1 . 6529 1 645 . 1 1 54 54 GLU HG3 H 1 2.333 0.01 . 1 . . . . 54 GLU HG2 . 6529 1 646 . 1 1 54 54 GLU C C 13 177.135 0.1 . 1 . . . . 54 GLU C . 6529 1 647 . 1 1 54 54 GLU CA C 13 58.601 0.05 . 1 . . . . 54 GLU CA . 6529 1 648 . 1 1 54 54 GLU CB C 13 29.069 0.1 . 1 . . . . 54 GLU CB . 6529 1 649 . 1 1 54 54 GLU CG C 13 35.940 0.1 . 1 . . . . 54 GLU CG . 6529 1 650 . 1 1 54 54 GLU N N 15 120.272 0.1 . 1 . . . . 54 GLU N . 6529 1 651 . 1 1 55 55 GLY H H 1 7.292 0.01 . 1 . . . . 55 GLY H . 6529 1 652 . 1 1 55 55 GLY HA2 H 1 4.071 0.01 . 2 . . . . 55 GLY HA2 . 6529 1 653 . 1 1 55 55 GLY HA3 H 1 3.668 0.01 . 2 . . . . 55 GLY HA3 . 6529 1 654 . 1 1 55 55 GLY C C 13 174.458 0.1 . 1 . . . . 55 GLY C . 6529 1 655 . 1 1 55 55 GLY CA C 13 45.431 0.05 . 1 . . . . 55 GLY CA . 6529 1 656 . 1 1 55 55 GLY N N 15 102.554 0.1 . 1 . . . . 55 GLY N . 6529 1 657 . 1 1 56 56 MET H H 1 7.531 0.01 . 1 . . . . 56 MET H . 6529 1 658 . 1 1 56 56 MET HA H 1 4.534 0.01 . 1 . . . . 56 MET HA . 6529 1 659 . 1 1 56 56 MET HB2 H 1 2.052 0.01 . 2 . . . . 56 MET HB2 . 6529 1 660 . 1 1 56 56 MET HB3 H 1 2.126 0.01 . 2 . . . . 56 MET HB3 . 6529 1 661 . 1 1 56 56 MET HG2 H 1 2.271 0.01 . 2 . . . . 56 MET HG2 . 6529 1 662 . 1 1 56 56 MET HG3 H 1 2.767 0.01 . 2 . . . . 56 MET HG3 . 6529 1 663 . 1 1 56 56 MET HE1 H 1 1.947 0.01 . 1 . . . . 56 MET HE . 6529 1 664 . 1 1 56 56 MET HE2 H 1 1.947 0.01 . 1 . . . . 56 MET HE . 6529 1 665 . 1 1 56 56 MET HE3 H 1 1.947 0.01 . 1 . . . . 56 MET HE . 6529 1 666 . 1 1 56 56 MET C C 13 175.006 0.1 . 1 . . . . 56 MET C . 6529 1 667 . 1 1 56 56 MET CA C 13 54.675 0.05 . 1 . . . . 56 MET CA . 6529 1 668 . 1 1 56 56 MET CB C 13 34.917 0.1 . 1 . . . . 56 MET CB . 6529 1 669 . 1 1 56 56 MET CG C 13 32.660 0.1 . 1 . . . . 56 MET CG . 6529 1 670 . 1 1 56 56 MET CE C 13 18.115 0.1 . 1 . . . . 56 MET CE . 6529 1 671 . 1 1 56 56 MET N N 15 119.452 0.1 . 1 . . . . 56 MET N . 6529 1 672 . 1 1 57 57 ASP H H 1 8.911 0.01 . 1 . . . . 57 ASP H . 6529 1 673 . 1 1 57 57 ASP HA H 1 4.463 0.01 . 1 . . . . 57 ASP HA . 6529 1 674 . 1 1 57 57 ASP HB2 H 1 2.735 0.01 . 2 . . . . 57 ASP HB2 . 6529 1 675 . 1 1 57 57 ASP HB3 H 1 2.634 0.01 . 2 . . . . 57 ASP HB3 . 6529 1 676 . 1 1 57 57 ASP C C 13 178.444 0.1 . 1 . . . . 57 ASP C . 6529 1 677 . 1 1 57 57 ASP CA C 13 54.896 0.05 . 1 . . . . 57 ASP CA . 6529 1 678 . 1 1 57 57 ASP CB C 13 42.148 0.1 . 1 . . . . 57 ASP CB . 6529 1 679 . 1 1 57 57 ASP N N 15 121.694 0.1 . 1 . . . . 57 ASP N . 6529 1 680 . 1 1 58 58 GLU H H 1 9.131 0.01 . 1 . . . . 58 GLU H . 6529 1 681 . 1 1 58 58 GLU HA H 1 3.612 0.01 . 1 . . . . 58 GLU HA . 6529 1 682 . 1 1 58 58 GLU HB2 H 1 2.000 0.01 . 2 . . . . 58 GLU HB1 . 6529 1 683 . 1 1 58 58 GLU HB3 H 1 2.132 0.01 . 2 . . . . 58 GLU HB2 . 6529 1 684 . 1 1 58 58 GLU HG2 H 1 2.152 0.01 . 1 . . . . 58 GLU HG1 . 6529 1 685 . 1 1 58 58 GLU HG3 H 1 2.152 0.01 . 1 . . . . 58 GLU HG2 . 6529 1 686 . 1 1 58 58 GLU C C 13 178.202 0.1 . 1 . . . . 58 GLU C . 6529 1 687 . 1 1 58 58 GLU CA C 13 60.981 0.05 . 1 . . . . 58 GLU CA . 6529 1 688 . 1 1 58 58 GLU CB C 13 29.943 0.1 . 1 . . . . 58 GLU CB . 6529 1 689 . 1 1 58 58 GLU CG C 13 35.780 0.1 . 1 . . . . 58 GLU CG . 6529 1 690 . 1 1 58 58 GLU N N 15 124.274 0.1 . 1 . . . . 58 GLU N . 6529 1 691 . 1 1 59 59 SER H H 1 8.579 0.01 . 1 . . . . 59 SER H . 6529 1 692 . 1 1 59 59 SER HA H 1 4.320 0.01 . 1 . . . . 59 SER HA . 6529 1 693 . 1 1 59 59 SER HB2 H 1 4.058 0.01 . 2 . . . . 59 SER HB2 . 6529 1 694 . 1 1 59 59 SER HB3 H 1 3.961 0.01 . 2 . . . . 59 SER HB3 . 6529 1 695 . 1 1 59 59 SER C C 13 175.504 0.1 . 1 . . . . 59 SER C . 6529 1 696 . 1 1 59 59 SER CA C 13 60.671 0.05 . 1 . . . . 59 SER CA . 6529 1 697 . 1 1 59 59 SER CB C 13 63.077 0.1 . 1 . . . . 59 SER CB . 6529 1 698 . 1 1 59 59 SER N N 15 111.905 0.1 . 1 . . . . 59 SER N . 6529 1 699 . 1 1 60 60 CYS H H 1 8.276 0.01 . 1 . . . . 60 CYS H . 6529 1 700 . 1 1 60 60 CYS HA H 1 5.213 0.01 . 1 . . . . 60 CYS HA . 6529 1 701 . 1 1 60 60 CYS HB2 H 1 3.086 0.01 . 2 . . . . 60 CYS HB2 . 6529 1 702 . 1 1 60 60 CYS HB3 H 1 2.779 0.01 . 2 . . . . 60 CYS HB3 . 6529 1 703 . 1 1 60 60 CYS C C 13 176.067 0.1 . 1 . . . . 60 CYS C . 6529 1 704 . 1 1 60 60 CYS CA C 13 53.564 0.05 . 1 . . . . 60 CYS CA . 6529 1 705 . 1 1 60 60 CYS CB C 13 38.856 0.1 . 1 . . . . 60 CYS CB . 6529 1 706 . 1 1 60 60 CYS N N 15 117.368 0.1 . 1 . . . . 60 CYS N . 6529 1 707 . 1 1 61 61 ARG H H 1 7.526 0.01 . 1 . . . . 61 ARG H . 6529 1 708 . 1 1 61 61 ARG HA H 1 3.996 0.01 . 1 . . . . 61 ARG HA . 6529 1 709 . 1 1 61 61 ARG HB2 H 1 1.810 0.01 . 2 . . . . 61 ARG HB2 . 6529 1 710 . 1 1 61 61 ARG HB3 H 1 1.909 0.01 . 2 . . . . 61 ARG HB3 . 6529 1 711 . 1 1 61 61 ARG HG2 H 1 1.595 0.01 . 1 . . . . 61 ARG HG2 . 6529 1 712 . 1 1 61 61 ARG HG3 H 1 1.595 0.01 . 1 . . . . 61 ARG HG3 . 6529 1 713 . 1 1 61 61 ARG HD2 H 1 3.290 0.01 . 1 . . . . 61 ARG HD2 . 6529 1 714 . 1 1 61 61 ARG HD3 H 1 3.290 0.01 . 1 . . . . 61 ARG HD3 . 6529 1 715 . 1 1 61 61 ARG C C 13 177.191 0.1 . 1 . . . . 61 ARG C . 6529 1 716 . 1 1 61 61 ARG CA C 13 61.769 0.05 . 1 . . . . 61 ARG CA . 6529 1 717 . 1 1 61 61 ARG CB C 13 30.742 0.1 . 1 . . . . 61 ARG CB . 6529 1 718 . 1 1 61 61 ARG CG C 13 29.489 0.1 . 1 . . . . 61 ARG CG . 6529 1 719 . 1 1 61 61 ARG CD C 13 44.251 0.1 . 1 . . . . 61 ARG CD . 6529 1 720 . 1 1 61 61 ARG N N 15 122.241 0.1 . 1 . . . . 61 ARG N . 6529 1 721 . 1 1 62 62 CYS H H 1 8.929 0.01 . 1 . . . . 62 CYS H . 6529 1 722 . 1 1 62 62 CYS HA H 1 4.699 0.01 . 1 . . . . 62 CYS HA . 6529 1 723 . 1 1 62 62 CYS HB2 H 1 3.087 0.01 . 2 . . . . 62 CYS HB2 . 6529 1 724 . 1 1 62 62 CYS HB3 H 1 2.880 0.01 . 2 . . . . 62 CYS HB3 . 6529 1 725 . 1 1 62 62 CYS C C 13 177.443 0.1 . 1 . . . . 62 CYS C . 6529 1 726 . 1 1 62 62 CYS CA C 13 55.434 0.05 . 1 . . . . 62 CYS CA . 6529 1 727 . 1 1 62 62 CYS CB C 13 32.320 0.1 . 1 . . . . 62 CYS CB . 6529 1 728 . 1 1 62 62 CYS N N 15 114.530 0.1 . 1 . . . . 62 CYS N . 6529 1 729 . 1 1 63 63 GLU H H 1 8.676 0.01 . 1 . . . . 63 GLU H . 6529 1 730 . 1 1 63 63 GLU HA H 1 4.098 0.01 . 1 . . . . 63 GLU HA . 6529 1 731 . 1 1 63 63 GLU HB2 H 1 1.933 0.01 . 2 . . . . 63 GLU HB1 . 6529 1 732 . 1 1 63 63 GLU HB3 H 1 2.156 0.01 . 2 . . . . 63 GLU HB2 . 6529 1 733 . 1 1 63 63 GLU HG2 H 1 2.329 0.01 . 1 . . . . 63 GLU HG1 . 6529 1 734 . 1 1 63 63 GLU HG3 H 1 2.329 0.01 . 1 . . . . 63 GLU HG2 . 6529 1 735 . 1 1 63 63 GLU C C 13 178.996 0.1 . 1 . . . . 63 GLU C . 6529 1 736 . 1 1 63 63 GLU CA C 13 59.339 0.05 . 1 . . . . 63 GLU CA . 6529 1 737 . 1 1 63 63 GLU CB C 13 28.947 0.1 . 1 . . . . 63 GLU CB . 6529 1 738 . 1 1 63 63 GLU CG C 13 35.755 0.1 . 1 . . . . 63 GLU CG . 6529 1 739 . 1 1 63 63 GLU N N 15 123.020 0.1 . 1 . . . . 63 GLU N . 6529 1 740 . 1 1 64 64 GLY H H 1 8.562 0.01 . 1 . . . . 64 GLY H . 6529 1 741 . 1 1 64 64 GLY HA2 H 1 3.524 0.01 . 2 . . . . 64 GLY HA2 . 6529 1 742 . 1 1 64 64 GLY HA3 H 1 3.988 0.01 . 2 . . . . 64 GLY HA3 . 6529 1 743 . 1 1 64 64 GLY C C 13 175.075 0.1 . 1 . . . . 64 GLY C . 6529 1 744 . 1 1 64 64 GLY CA C 13 47.650 0.05 . 1 . . . . 64 GLY CA . 6529 1 745 . 1 1 64 64 GLY N N 15 107.461 0.1 . 1 . . . . 64 GLY N . 6529 1 746 . 1 1 65 65 LEU H H 1 7.983 0.01 . 1 . . . . 65 LEU H . 6529 1 747 . 1 1 65 65 LEU HA H 1 4.035 0.01 . 1 . . . . 65 LEU HA . 6529 1 748 . 1 1 65 65 LEU HB2 H 1 1.181 0.01 . 2 . . . . 65 LEU HB2 . 6529 1 749 . 1 1 65 65 LEU HB3 H 1 2.010 0.01 . 2 . . . . 65 LEU HB3 . 6529 1 750 . 1 1 65 65 LEU HG H 1 1.880 0.01 . 1 . . . . 65 LEU HG . 6529 1 751 . 1 1 65 65 LEU HD11 H 1 0.958 0.01 . 2 . . . . 65 LEU HD1 . 6529 1 752 . 1 1 65 65 LEU HD12 H 1 0.958 0.01 . 2 . . . . 65 LEU HD1 . 6529 1 753 . 1 1 65 65 LEU HD13 H 1 0.958 0.01 . 2 . . . . 65 LEU HD1 . 6529 1 754 . 1 1 65 65 LEU HD21 H 1 0.785 0.01 . 2 . . . . 65 LEU HD2 . 6529 1 755 . 1 1 65 65 LEU HD22 H 1 0.785 0.01 . 2 . . . . 65 LEU HD2 . 6529 1 756 . 1 1 65 65 LEU HD23 H 1 0.785 0.01 . 2 . . . . 65 LEU HD2 . 6529 1 757 . 1 1 65 65 LEU C C 13 179.027 0.1 . 1 . . . . 65 LEU C . 6529 1 758 . 1 1 65 65 LEU CA C 13 58.269 0.05 . 1 . . . . 65 LEU CA . 6529 1 759 . 1 1 65 65 LEU CB C 13 42.217 0.1 . 1 . . . . 65 LEU CB . 6529 1 760 . 1 1 65 65 LEU CG C 13 26.378 0.1 . 1 . . . . 65 LEU CG . 6529 1 761 . 1 1 65 65 LEU CD1 C 13 23.455 0.1 . 1 . . . . 65 LEU CD1 . 6529 1 762 . 1 1 65 65 LEU CD2 C 13 25.826 0.1 . 1 . . . . 65 LEU CD2 . 6529 1 763 . 1 1 65 65 LEU N N 15 121.913 0.1 . 1 . . . . 65 LEU N . 6529 1 764 . 1 1 66 66 ARG H H 1 8.454 0.01 . 1 . . . . 66 ARG H . 6529 1 765 . 1 1 66 66 ARG HA H 1 3.934 0.01 . 1 . . . . 66 ARG HA . 6529 1 766 . 1 1 66 66 ARG HB2 H 1 1.812 0.01 . 2 . . . . 66 ARG HB2 . 6529 1 767 . 1 1 66 66 ARG HB3 H 1 1.958 0.01 . 2 . . . . 66 ARG HB3 . 6529 1 768 . 1 1 66 66 ARG HG2 H 1 1.626 0.01 . 1 . . . . 66 ARG HG2 . 6529 1 769 . 1 1 66 66 ARG HG3 H 1 1.626 0.01 . 1 . . . . 66 ARG HG3 . 6529 1 770 . 1 1 66 66 ARG HD2 H 1 3.271 0.01 . 1 . . . . 66 ARG HD2 . 6529 1 771 . 1 1 66 66 ARG HD3 H 1 3.271 0.01 . 1 . . . . 66 ARG HD3 . 6529 1 772 . 1 1 66 66 ARG C C 13 179.233 0.1 . 1 . . . . 66 ARG C . 6529 1 773 . 1 1 66 66 ARG CA C 13 60.680 0.05 . 1 . . . . 66 ARG CA . 6529 1 774 . 1 1 66 66 ARG CB C 13 30.499 0.1 . 1 . . . . 66 ARG CB . 6529 1 775 . 1 1 66 66 ARG CG C 13 29.132 0.1 . 1 . . . . 66 ARG CG . 6529 1 776 . 1 1 66 66 ARG CD C 13 43.892 0.1 . 1 . . . . 66 ARG CD . 6529 1 777 . 1 1 66 66 ARG N N 15 119.944 0.1 . 1 . . . . 66 ARG N . 6529 1 778 . 1 1 67 67 MET H H 1 8.667 0.01 . 1 . . . . 67 MET H . 6529 1 779 . 1 1 67 67 MET HA H 1 3.986 0.01 . 1 . . . . 67 MET HA . 6529 1 780 . 1 1 67 67 MET HB2 H 1 2.357 0.01 . 1 . . . . 67 MET HB2 . 6529 1 781 . 1 1 67 67 MET HB3 H 1 2.357 0.01 . 1 . . . . 67 MET HB3 . 6529 1 782 . 1 1 67 67 MET HG2 H 1 2.812 0.01 . 2 . . . . 67 MET HG2 . 6529 1 783 . 1 1 67 67 MET HG3 H 1 2.552 0.01 . 2 . . . . 67 MET HG3 . 6529 1 784 . 1 1 67 67 MET HE1 H 1 2.017 0.01 . 1 . . . . 67 MET HE . 6529 1 785 . 1 1 67 67 MET HE2 H 1 2.017 0.01 . 1 . . . . 67 MET HE . 6529 1 786 . 1 1 67 67 MET HE3 H 1 2.017 0.01 . 1 . . . . 67 MET HE . 6529 1 787 . 1 1 67 67 MET C C 13 178.793 0.1 . 1 . . . . 67 MET C . 6529 1 788 . 1 1 67 67 MET CA C 13 59.367 0.05 . 1 . . . . 67 MET CA . 6529 1 789 . 1 1 67 67 MET CB C 13 33.120 0.1 . 1 . . . . 67 MET CB . 6529 1 790 . 1 1 67 67 MET CG C 13 33.100 0.1 . 1 . . . . 67 MET CG . 6529 1 791 . 1 1 67 67 MET CE C 13 18.412 0.1 . 1 . . . . 67 MET CE . 6529 1 792 . 1 1 67 67 MET N N 15 119.780 0.1 . 1 . . . . 67 MET N . 6529 1 793 . 1 1 68 68 MET H H 1 8.561 0.01 . 1 . . . . 68 MET H . 6529 1 794 . 1 1 68 68 MET HA H 1 3.848 0.01 . 1 . . . . 68 MET HA . 6529 1 795 . 1 1 68 68 MET HB2 H 1 2.032 0.01 . 1 . . . . 68 MET HB2 . 6529 1 796 . 1 1 68 68 MET HB3 H 1 2.032 0.01 . 1 . . . . 68 MET HB3 . 6529 1 797 . 1 1 68 68 MET HG2 H 1 2.528 0.01 . 2 . . . . 68 MET HG2 . 6529 1 798 . 1 1 68 68 MET HG3 H 1 2.248 0.01 . 2 . . . . 68 MET HG3 . 6529 1 799 . 1 1 68 68 MET HE1 H 1 1.987 0.01 . 1 . . . . 68 MET HE . 6529 1 800 . 1 1 68 68 MET HE2 H 1 1.987 0.01 . 1 . . . . 68 MET HE . 6529 1 801 . 1 1 68 68 MET HE3 H 1 1.987 0.01 . 1 . . . . 68 MET HE . 6529 1 802 . 1 1 68 68 MET C C 13 178.210 0.1 . 1 . . . . 68 MET C . 6529 1 803 . 1 1 68 68 MET CA C 13 59.220 0.05 . 1 . . . . 68 MET CA . 6529 1 804 . 1 1 68 68 MET CB C 13 32.842 0.1 . 1 . . . . 68 MET CB . 6529 1 805 . 1 1 68 68 MET CG C 13 31.722 0.1 . 1 . . . . 68 MET CG . 6529 1 806 . 1 1 68 68 MET CE C 13 18.040 0.1 . 1 . . . . 68 MET CE . 6529 1 807 . 1 1 68 68 MET N N 15 120.956 0.1 . 1 . . . . 68 MET N . 6529 1 808 . 1 1 69 69 MET H H 1 8.152 0.01 . 1 . . . . 69 MET H . 6529 1 809 . 1 1 69 69 MET HA H 1 4.358 0.01 . 1 . . . . 69 MET HA . 6529 1 810 . 1 1 69 69 MET HB2 H 1 1.953 0.01 . 2 . . . . 69 MET HB2 . 6529 1 811 . 1 1 69 69 MET HB3 H 1 2.205 0.01 . 2 . . . . 69 MET HB3 . 6529 1 812 . 1 1 69 69 MET HG2 H 1 2.642 0.01 . 1 . . . . 69 MET HG2 . 6529 1 813 . 1 1 69 69 MET HG3 H 1 2.642 0.01 . 1 . . . . 69 MET HG3 . 6529 1 814 . 1 1 69 69 MET HE1 H 1 1.936 0.01 . 1 . . . . 69 MET HE . 6529 1 815 . 1 1 69 69 MET HE2 H 1 1.936 0.01 . 1 . . . . 69 MET HE . 6529 1 816 . 1 1 69 69 MET HE3 H 1 1.936 0.01 . 1 . . . . 69 MET HE . 6529 1 817 . 1 1 69 69 MET C C 13 179.079 0.1 . 1 . . . . 69 MET C . 6529 1 818 . 1 1 69 69 MET CA C 13 57.136 0.05 . 1 . . . . 69 MET CA . 6529 1 819 . 1 1 69 69 MET CB C 13 30.808 0.1 . 1 . . . . 69 MET CB . 6529 1 820 . 1 1 69 69 MET CG C 13 32.191 0.1 . 1 . . . . 69 MET CG . 6529 1 821 . 1 1 69 69 MET CE C 13 18.858 0.1 . 1 . . . . 69 MET CE . 6529 1 822 . 1 1 69 69 MET N N 15 118.201 0.1 . 1 . . . . 69 MET N . 6529 1 823 . 1 1 70 70 ARG H H 1 8.140 0.01 . 1 . . . . 70 ARG H . 6529 1 824 . 1 1 70 70 ARG HA H 1 4.069 0.01 . 1 . . . . 70 ARG HA . 6529 1 825 . 1 1 70 70 ARG HB2 H 1 1.938 0.01 . 1 . . . . 70 ARG HB2 . 6529 1 826 . 1 1 70 70 ARG HB3 H 1 1.938 0.01 . 1 . . . . 70 ARG HB3 . 6529 1 827 . 1 1 70 70 ARG HG2 H 1 1.812 0.01 . 1 . . . . 70 ARG HG2 . 6529 1 828 . 1 1 70 70 ARG HG3 H 1 1.812 0.01 . 1 . . . . 70 ARG HG3 . 6529 1 829 . 1 1 70 70 ARG HD2 H 1 3.202 0.01 . 1 . . . . 70 ARG HD2 . 6529 1 830 . 1 1 70 70 ARG HD3 H 1 3.202 0.01 . 1 . . . . 70 ARG HD3 . 6529 1 831 . 1 1 70 70 ARG C C 13 179.208 0.1 . 1 . . . . 70 ARG C . 6529 1 832 . 1 1 70 70 ARG CA C 13 59.589 0.05 . 1 . . . . 70 ARG CA . 6529 1 833 . 1 1 70 70 ARG CB C 13 30.031 0.1 . 1 . . . . 70 ARG CB . 6529 1 834 . 1 1 70 70 ARG CG C 13 27.987 0.1 . 1 . . . . 70 ARG CG . 6529 1 835 . 1 1 70 70 ARG CD C 13 43.667 0.1 . 1 . . . . 70 ARG CD . 6529 1 836 . 1 1 70 70 ARG N N 15 120.232 0.1 . 1 . . . . 70 ARG N . 6529 1 837 . 1 1 71 71 MET H H 1 7.965 0.01 . 1 . . . . 71 MET H . 6529 1 838 . 1 1 71 71 MET HA H 1 4.038 0.01 . 1 . . . . 71 MET HA . 6529 1 839 . 1 1 71 71 MET HB2 H 1 2.158 0.01 . 1 . . . . 71 MET HB2 . 6529 1 840 . 1 1 71 71 MET HB3 H 1 2.158 0.01 . 1 . . . . 71 MET HB3 . 6529 1 841 . 1 1 71 71 MET HG2 H 1 2.684 0.01 . 1 . . . . 71 MET HG2 . 6529 1 842 . 1 1 71 71 MET HG3 H 1 2.684 0.01 . 1 . . . . 71 MET HG3 . 6529 1 843 . 1 1 71 71 MET HE1 H 1 2.141 0.01 . 1 . . . . 71 MET HE . 6529 1 844 . 1 1 71 71 MET HE2 H 1 2.141 0.01 . 1 . . . . 71 MET HE . 6529 1 845 . 1 1 71 71 MET HE3 H 1 2.141 0.01 . 1 . . . . 71 MET HE . 6529 1 846 . 1 1 71 71 MET C C 13 178.748 0.1 . 1 . . . . 71 MET C . 6529 1 847 . 1 1 71 71 MET CA C 13 58.886 0.05 . 1 . . . . 71 MET CA . 6529 1 848 . 1 1 71 71 MET CB C 13 32.922 0.1 . 1 . . . . 71 MET CB . 6529 1 849 . 1 1 71 71 MET CG C 13 33.121 0.1 . 1 . . . . 71 MET CG . 6529 1 850 . 1 1 71 71 MET CE C 13 18.412 0.1 . 1 . . . . 71 MET CE . 6529 1 851 . 1 1 71 71 MET N N 15 117.819 0.1 . 1 . . . . 71 MET N . 6529 1 852 . 1 1 72 72 MET H H 1 8.006 0.01 . 1 . . . . 72 MET H . 6529 1 853 . 1 1 72 72 MET HA H 1 4.171 0.01 . 1 . . . . 72 MET HA . 6529 1 854 . 1 1 72 72 MET HB2 H 1 2.192 0.01 . 1 . . . . 72 MET HB2 . 6529 1 855 . 1 1 72 72 MET HB3 H 1 2.192 0.01 . 1 . . . . 72 MET HB3 . 6529 1 856 . 1 1 72 72 MET HG2 H 1 2.813 0.01 . 2 . . . . 72 MET HG2 . 6529 1 857 . 1 1 72 72 MET HG3 H 1 2.479 0.01 . 2 . . . . 72 MET HG3 . 6529 1 858 . 1 1 72 72 MET HE1 H 1 1.952 0.01 . 1 . . . . 72 MET HE . 6529 1 859 . 1 1 72 72 MET HE2 H 1 1.952 0.01 . 1 . . . . 72 MET HE . 6529 1 860 . 1 1 72 72 MET HE3 H 1 1.952 0.01 . 1 . . . . 72 MET HE . 6529 1 861 . 1 1 72 72 MET C C 13 177.679 0.1 . 1 . . . . 72 MET C . 6529 1 862 . 1 1 72 72 MET CA C 13 58.668 0.05 . 1 . . . . 72 MET CA . 6529 1 863 . 1 1 72 72 MET CB C 13 33.283 0.1 . 1 . . . . 72 MET CB . 6529 1 864 . 1 1 72 72 MET CG C 13 32.756 0.1 . 1 . . . . 72 MET CG . 6529 1 865 . 1 1 72 72 MET CE C 13 18.115 0.1 . 1 . . . . 72 MET CE . 6529 1 866 . 1 1 72 72 MET N N 15 118.139 0.1 . 1 . . . . 72 MET N . 6529 1 867 . 1 1 73 73 GLN H H 1 7.935 0.01 . 1 . . . . 73 GLN H . 6529 1 868 . 1 1 73 73 GLN HA H 1 4.239 0.01 . 1 . . . . 73 GLN HA . 6529 1 869 . 1 1 73 73 GLN HB2 H 1 2.114 0.01 . 2 . . . . 73 GLN HB2 . 6529 1 870 . 1 1 73 73 GLN HB3 H 1 2.202 0.01 . 2 . . . . 73 GLN HB3 . 6529 1 871 . 1 1 73 73 GLN HG2 H 1 2.492 0.01 . 2 . . . . 73 GLN HG2 . 6529 1 872 . 1 1 73 73 GLN HG3 H 1 2.330 0.01 . 2 . . . . 73 GLN HG3 . 6529 1 873 . 1 1 73 73 GLN HE21 H 1 7.189 0.01 . 2 . . . . 73 GLN HE21 . 6529 1 874 . 1 1 73 73 GLN HE22 H 1 6.769 0.01 . 2 . . . . 73 GLN HE22 . 6529 1 875 . 1 1 73 73 GLN C C 13 176.552 0.1 . 1 . . . . 73 GLN C . 6529 1 876 . 1 1 73 73 GLN CA C 13 57.503 0.05 . 1 . . . . 73 GLN CA . 6529 1 877 . 1 1 73 73 GLN CB C 13 29.160 0.1 . 1 . . . . 73 GLN CB . 6529 1 878 . 1 1 73 73 GLN CG C 13 34.454 0.1 . 1 . . . . 73 GLN CG . 6529 1 879 . 1 1 73 73 GLN N N 15 118.303 0.1 . 1 . . . . 73 GLN N . 6529 1 880 . 1 1 73 73 GLN NE2 N 15 110.082 0.1 . 1 . . . . 73 GLN NE2 . 6529 1 881 . 1 1 74 74 GLN H H 1 7.745 0.01 . 1 . . . . 74 GLN H . 6529 1 882 . 1 1 74 74 GLN HA H 1 4.229 0.01 . 1 . . . . 74 GLN HA . 6529 1 883 . 1 1 74 74 GLN HB2 H 1 2.095 0.01 . 2 . . . . 74 GLN HB2 . 6529 1 884 . 1 1 74 74 GLN HB3 H 1 2.177 0.01 . 2 . . . . 74 GLN HB3 . 6529 1 885 . 1 1 74 74 GLN HG2 H 1 2.533 0.01 . 2 . . . . 74 GLN HG2 . 6529 1 886 . 1 1 74 74 GLN HG3 H 1 2.419 0.01 . 2 . . . . 74 GLN HG3 . 6529 1 887 . 1 1 74 74 GLN HE21 H 1 7.446 0.01 . 2 . . . . 74 GLN HE21 . 6529 1 888 . 1 1 74 74 GLN HE22 H 1 6.788 0.01 . 2 . . . . 74 GLN HE22 . 6529 1 889 . 1 1 74 74 GLN C C 13 176.825 0.1 . 1 . . . . 74 GLN C . 6529 1 890 . 1 1 74 74 GLN CA C 13 57.045 0.05 . 1 . . . . 74 GLN CA . 6529 1 891 . 1 1 74 74 GLN CB C 13 29.568 0.1 . 1 . . . . 74 GLN CB . 6529 1 892 . 1 1 74 74 GLN CG C 13 33.969 0.1 . 1 . . . . 74 GLN CG . 6529 1 893 . 1 1 74 74 GLN N N 15 117.483 0.1 . 1 . . . . 74 GLN N . 6529 1 894 . 1 1 74 74 GLN NE2 N 15 111.520 0.1 . 1 . . . . 74 GLN NE2 . 6529 1 895 . 1 1 75 75 LYS H H 1 7.906 0.01 . 1 . . . . 75 LYS H . 6529 1 896 . 1 1 75 75 LYS HA H 1 4.329 0.01 . 1 . . . . 75 LYS HA . 6529 1 897 . 1 1 75 75 LYS HB2 H 1 1.826 0.01 . 1 . . . . 75 LYS HB2 . 6529 1 898 . 1 1 75 75 LYS HB3 H 1 1.826 0.01 . 1 . . . . 75 LYS HB3 . 6529 1 899 . 1 1 75 75 LYS HG2 H 1 1.419 0.01 . 1 . . . . 75 LYS HG2 . 6529 1 900 . 1 1 75 75 LYS HG3 H 1 1.419 0.01 . 1 . . . . 75 LYS HG3 . 6529 1 901 . 1 1 75 75 LYS HD2 H 1 1.664 0.01 . 1 . . . . 75 LYS HD2 . 6529 1 902 . 1 1 75 75 LYS HD3 H 1 1.664 0.01 . 1 . . . . 75 LYS HD3 . 6529 1 903 . 1 1 75 75 LYS HE2 H 1 2.966 0.01 . 2 . . . . 75 LYS HE2 . 6529 1 904 . 1 1 75 75 LYS HE3 H 1 2.972 0.01 . 2 . . . . 75 LYS HE3 . 6529 1 905 . 1 1 75 75 LYS C C 13 176.694 0.1 . 1 . . . . 75 LYS C . 6529 1 906 . 1 1 75 75 LYS CA C 13 57.268 0.05 . 1 . . . . 75 LYS CA . 6529 1 907 . 1 1 75 75 LYS CB C 13 33.583 0.1 . 1 . . . . 75 LYS CB . 6529 1 908 . 1 1 75 75 LYS CG C 13 24.834 0.1 . 1 . . . . 75 LYS CG . 6529 1 909 . 1 1 75 75 LYS CD C 13 28.815 0.1 . 1 . . . . 75 LYS CD . 6529 1 910 . 1 1 75 75 LYS CE C 13 42.239 0.1 . 1 . . . . 75 LYS CE . 6529 1 911 . 1 1 75 75 LYS N N 15 117.975 0.1 . 1 . . . . 75 LYS N . 6529 1 912 . 1 1 76 76 GLU H H 1 8.516 0.01 . 1 . . . . 76 GLU H . 6529 1 913 . 1 1 76 76 GLU HA H 1 4.298 0.01 . 1 . . . . 76 GLU HA . 6529 1 914 . 1 1 76 76 GLU HB2 H 1 2.036 0.01 . 1 . . . . 76 GLU HB1 . 6529 1 915 . 1 1 76 76 GLU HB3 H 1 2.036 0.01 . 1 . . . . 76 GLU HB2 . 6529 1 916 . 1 1 76 76 GLU HG2 H 1 2.247 0.01 . 1 . . . . 76 GLU HG1 . 6529 1 917 . 1 1 76 76 GLU HG3 H 1 2.247 0.01 . 1 . . . . 76 GLU HG2 . 6529 1 918 . 1 1 76 76 GLU C C 13 176.096 0.1 . 1 . . . . 76 GLU C . 6529 1 919 . 1 1 76 76 GLU CA C 13 57.596 0.05 . 1 . . . . 76 GLU CA . 6529 1 920 . 1 1 76 76 GLU CB C 13 30.403 0.1 . 1 . . . . 76 GLU CB . 6529 1 921 . 1 1 76 76 GLU CG C 13 36.599 0.1 . 1 . . . . 76 GLU CG . 6529 1 922 . 1 1 76 76 GLU N N 15 119.124 0.1 . 1 . . . . 76 GLU N . 6529 1 923 . 1 1 77 77 MET H H 1 8.123 0.01 . 1 . . . . 77 MET H . 6529 1 924 . 1 1 77 77 MET HA H 1 4.454 0.01 . 1 . . . . 77 MET HA . 6529 1 925 . 1 1 77 77 MET HB2 H 1 1.921 0.01 . 2 . . . . 77 MET HB2 . 6529 1 926 . 1 1 77 77 MET HB3 H 1 2.074 0.01 . 2 . . . . 77 MET HB3 . 6529 1 927 . 1 1 77 77 MET HG2 H 1 2.487 0.01 . 1 . . . . 77 MET HG2 . 6529 1 928 . 1 1 77 77 MET HG3 H 1 2.487 0.01 . 1 . . . . 77 MET HG3 . 6529 1 929 . 1 1 77 77 MET HE1 H 1 2.017 0.01 . 1 . . . . 77 MET HE . 6529 1 930 . 1 1 77 77 MET HE2 H 1 2.017 0.01 . 1 . . . . 77 MET HE . 6529 1 931 . 1 1 77 77 MET HE3 H 1 2.017 0.01 . 1 . . . . 77 MET HE . 6529 1 932 . 1 1 77 77 MET C C 13 175.127 0.1 . 1 . . . . 77 MET C . 6529 1 933 . 1 1 77 77 MET CA C 13 55.487 0.05 . 1 . . . . 77 MET CA . 6529 1 934 . 1 1 77 77 MET CB C 13 33.608 0.1 . 1 . . . . 77 MET CB . 6529 1 935 . 1 1 77 77 MET CG C 13 32.169 0.1 . 1 . . . . 77 MET CG . 6529 1 936 . 1 1 77 77 MET CE C 13 17.966 0.1 . 1 . . . . 77 MET CE . 6529 1 937 . 1 1 77 77 MET N N 15 118.796 0.1 . 1 . . . . 77 MET N . 6529 1 938 . 1 1 78 78 GLN H H 1 8.322 0.01 . 1 . . . . 78 GLN H . 6529 1 939 . 1 1 78 78 GLN HA H 1 4.633 0.01 . 1 . . . . 78 GLN HA . 6529 1 940 . 1 1 78 78 GLN HB2 H 1 2.009 0.01 . 2 . . . . 78 GLN HB2 . 6529 1 941 . 1 1 78 78 GLN HB3 H 1 2.098 0.01 . 2 . . . . 78 GLN HB3 . 6529 1 942 . 1 1 78 78 GLN HG2 H 1 2.376 0.01 . 1 . . . . 78 GLN HG2 . 6529 1 943 . 1 1 78 78 GLN HG3 H 1 2.376 0.01 . 1 . . . . 78 GLN HG3 . 6529 1 944 . 1 1 78 78 GLN HE21 H 1 7.473 0.01 . 2 . . . . 78 GLN HE21 . 6529 1 945 . 1 1 78 78 GLN HE22 H 1 6.792 0.01 . 2 . . . . 78 GLN HE22 . 6529 1 946 . 1 1 78 78 GLN CA C 13 54.285 0.05 . 1 . . . . 78 GLN CA . 6529 1 947 . 1 1 78 78 GLN CB C 13 28.858 0.1 . 1 . . . . 78 GLN CB . 6529 1 948 . 1 1 78 78 GLN CG C 13 33.665 0.1 . 1 . . . . 78 GLN CG . 6529 1 949 . 1 1 78 78 GLN N N 15 121.256 0.1 . 1 . . . . 78 GLN N . 6529 1 950 . 1 1 78 78 GLN NE2 N 15 112.059 0.1 . 1 . . . . 78 GLN NE2 . 6529 1 951 . 1 1 79 79 PRO HA H 1 4.400 0.01 . 1 . . . . 79 PRO HA . 6529 1 952 . 1 1 79 79 PRO HB2 H 1 1.848 0.01 . 2 . . . . 79 PRO HB2 . 6529 1 953 . 1 1 79 79 PRO HB3 H 1 2.214 0.01 . 2 . . . . 79 PRO HB3 . 6529 1 954 . 1 1 79 79 PRO HG2 H 1 1.999 0.01 . 1 . . . . 79 PRO HG2 . 6529 1 955 . 1 1 79 79 PRO HG3 H 1 1.999 0.01 . 1 . . . . 79 PRO HG3 . 6529 1 956 . 1 1 79 79 PRO HD2 H 1 3.690 0.01 . 1 . . . . 79 PRO HD2 . 6529 1 957 . 1 1 79 79 PRO HD3 H 1 3.690 0.01 . 1 . . . . 79 PRO HD3 . 6529 1 958 . 1 1 79 79 PRO C C 13 176.196 0.1 . 1 . . . . 79 PRO C . 6529 1 959 . 1 1 79 79 PRO CA C 13 63.560 0.05 . 1 . . . . 79 PRO CA . 6529 1 960 . 1 1 79 79 PRO CB C 13 32.081 0.1 . 1 . . . . 79 PRO CB . 6529 1 961 . 1 1 79 79 PRO CG C 13 27.510 0.1 . 1 . . . . 79 PRO CG . 6529 1 962 . 1 1 79 79 PRO CD C 13 50.621 0.1 . 1 . . . . 79 PRO CD . 6529 1 963 . 1 1 80 80 ARG H H 1 8.288 0.01 . 1 . . . . 80 ARG H . 6529 1 964 . 1 1 80 80 ARG HA H 1 4.539 0.01 . 1 . . . . 80 ARG HA . 6529 1 965 . 1 1 80 80 ARG HB2 H 1 1.746 0.01 . 2 . . . . 80 ARG HB2 . 6529 1 966 . 1 1 80 80 ARG HB3 H 1 1.969 0.01 . 2 . . . . 80 ARG HB3 . 6529 1 967 . 1 1 80 80 ARG HG2 H 1 1.617 0.01 . 1 . . . . 80 ARG HG2 . 6529 1 968 . 1 1 80 80 ARG HG3 H 1 1.617 0.01 . 1 . . . . 80 ARG HG3 . 6529 1 969 . 1 1 80 80 ARG HD2 H 1 3.202 0.01 . 1 . . . . 80 ARG HD2 . 6529 1 970 . 1 1 80 80 ARG HD3 H 1 3.202 0.01 . 1 . . . . 80 ARG HD3 . 6529 1 971 . 1 1 80 80 ARG C C 13 177.066 0.1 . 1 . . . . 80 ARG C . 6529 1 972 . 1 1 80 80 ARG CA C 13 55.147 0.05 . 1 . . . . 80 ARG CA . 6529 1 973 . 1 1 80 80 ARG CB C 13 31.569 0.1 . 1 . . . . 80 ARG CB . 6529 1 974 . 1 1 80 80 ARG CG C 13 27.263 0.1 . 1 . . . . 80 ARG CG . 6529 1 975 . 1 1 80 80 ARG CD C 13 43.429 0.1 . 1 . . . . 80 ARG CD . 6529 1 976 . 1 1 80 80 ARG N N 15 118.632 0.1 . 1 . . . . 80 ARG N . 6529 1 977 . 1 1 81 81 GLY H H 1 8.493 0.01 . 1 . . . . 81 GLY H . 6529 1 978 . 1 1 81 81 GLY HA2 H 1 4.066 0.01 . 2 . . . . 81 GLY HA2 . 6529 1 979 . 1 1 81 81 GLY HA3 H 1 3.914 0.01 . 2 . . . . 81 GLY HA3 . 6529 1 980 . 1 1 81 81 GLY C C 13 175.491 0.1 . 1 . . . . 81 GLY C . 6529 1 981 . 1 1 81 81 GLY CA C 13 46.623 0.05 . 1 . . . . 81 GLY CA . 6529 1 982 . 1 1 81 81 GLY N N 15 109.608 0.1 . 1 . . . . 81 GLY N . 6529 1 983 . 1 1 82 82 GLU H H 1 8.986 0.01 . 1 . . . . 82 GLU H . 6529 1 984 . 1 1 82 82 GLU HA H 1 4.089 0.01 . 1 . . . . 82 GLU HA . 6529 1 985 . 1 1 82 82 GLU HB2 H 1 2.074 0.01 . 1 . . . . 82 GLU HB1 . 6529 1 986 . 1 1 82 82 GLU HB3 H 1 2.074 0.01 . 1 . . . . 82 GLU HB2 . 6529 1 987 . 1 1 82 82 GLU HG2 H 1 2.350 0.01 . 1 . . . . 82 GLU HG1 . 6529 1 988 . 1 1 82 82 GLU HG3 H 1 2.350 0.01 . 1 . . . . 82 GLU HG2 . 6529 1 989 . 1 1 82 82 GLU C C 13 178.563 0.1 . 1 . . . . 82 GLU C . 6529 1 990 . 1 1 82 82 GLU CA C 13 58.977 0.05 . 1 . . . . 82 GLU CA . 6529 1 991 . 1 1 82 82 GLU CB C 13 29.247 0.1 . 1 . . . . 82 GLU CB . 6529 1 992 . 1 1 82 82 GLU CG C 13 35.819 0.1 . 1 . . . . 82 GLU CG . 6529 1 993 . 1 1 82 82 GLU N N 15 122.569 0.1 . 1 . . . . 82 GLU N . 6529 1 994 . 1 1 83 83 GLN H H 1 8.185 0.01 . 1 . . . . 83 GLN H . 6529 1 995 . 1 1 83 83 GLN HA H 1 4.127 0.01 . 1 . . . . 83 GLN HA . 6529 1 996 . 1 1 83 83 GLN HB2 H 1 2.100 0.01 . 2 . . . . 83 GLN HB2 . 6529 1 997 . 1 1 83 83 GLN HB3 H 1 2.199 0.01 . 2 . . . . 83 GLN HB3 . 6529 1 998 . 1 1 83 83 GLN HG2 H 1 2.395 0.01 . 2 . . . . 83 GLN HG2 . 6529 1 999 . 1 1 83 83 GLN HG3 H 1 2.467 0.01 . 2 . . . . 83 GLN HG3 . 6529 1 1000 . 1 1 83 83 GLN HE21 H 1 7.545 0.01 . 2 . . . . 83 GLN HE21 . 6529 1 1001 . 1 1 83 83 GLN HE22 H 1 6.941 0.01 . 2 . . . . 83 GLN HE22 . 6529 1 1002 . 1 1 83 83 GLN C C 13 178.023 0.1 . 1 . . . . 83 GLN C . 6529 1 1003 . 1 1 83 83 GLN CA C 13 59.063 0.05 . 1 . . . . 83 GLN CA . 6529 1 1004 . 1 1 83 83 GLN CB C 13 28.597 0.1 . 1 . . . . 83 GLN CB . 6529 1 1005 . 1 1 83 83 GLN CG C 13 34.201 0.1 . 1 . . . . 83 GLN CG . 6529 1 1006 . 1 1 83 83 GLN N N 15 118.632 0.1 . 1 . . . . 83 GLN N . 6529 1 1007 . 1 1 83 83 GLN NE2 N 15 112.059 0.1 . 1 . . . . 83 GLN NE2 . 6529 1 1008 . 1 1 84 84 MET H H 1 7.777 0.01 . 1 . . . . 84 MET H . 6529 1 1009 . 1 1 84 84 MET HA H 1 4.223 0.01 . 1 . . . . 84 MET HA . 6529 1 1010 . 1 1 84 84 MET HB2 H 1 1.951 0.01 . 2 . . . . 84 MET HB2 . 6529 1 1011 . 1 1 84 84 MET HB3 H 1 2.007 0.01 . 2 . . . . 84 MET HB3 . 6529 1 1012 . 1 1 84 84 MET HG2 H 1 2.508 0.01 . 1 . . . . 84 MET HG2 . 6529 1 1013 . 1 1 84 84 MET HG3 H 1 2.508 0.01 . 1 . . . . 84 MET HG3 . 6529 1 1014 . 1 1 84 84 MET HE1 H 1 2.066 0.01 . 1 . . . . 84 MET HE . 6529 1 1015 . 1 1 84 84 MET HE2 H 1 2.066 0.01 . 1 . . . . 84 MET HE . 6529 1 1016 . 1 1 84 84 MET HE3 H 1 2.066 0.01 . 1 . . . . 84 MET HE . 6529 1 1017 . 1 1 84 84 MET C C 13 178.007 0.1 . 1 . . . . 84 MET C . 6529 1 1018 . 1 1 84 84 MET CA C 13 57.809 0.05 . 1 . . . . 84 MET CA . 6529 1 1019 . 1 1 84 84 MET CB C 13 31.467 0.1 . 1 . . . . 84 MET CB . 6529 1 1020 . 1 1 84 84 MET CG C 13 32.355 0.1 . 1 . . . . 84 MET CG . 6529 1 1021 . 1 1 84 84 MET CE C 13 18.412 0.1 . 1 . . . . 84 MET CE . 6529 1 1022 . 1 1 84 84 MET N N 15 119.124 0.1 . 1 . . . . 84 MET N . 6529 1 1023 . 1 1 85 85 ARG H H 1 7.957 0.01 . 1 . . . . 85 ARG H . 6529 1 1024 . 1 1 85 85 ARG HA H 1 3.941 0.01 . 1 . . . . 85 ARG HA . 6529 1 1025 . 1 1 85 85 ARG HB2 H 1 1.935 0.01 . 1 . . . . 85 ARG HB2 . 6529 1 1026 . 1 1 85 85 ARG HB3 H 1 1.935 0.01 . 1 . . . . 85 ARG HB3 . 6529 1 1027 . 1 1 85 85 ARG HG2 H 1 1.818 0.01 . 1 . . . . 85 ARG HG2 . 6529 1 1028 . 1 1 85 85 ARG HG3 H 1 1.818 0.01 . 1 . . . . 85 ARG HG3 . 6529 1 1029 . 1 1 85 85 ARG HD2 H 1 3.205 0.01 . 1 . . . . 85 ARG HD2 . 6529 1 1030 . 1 1 85 85 ARG HD3 H 1 3.205 0.01 . 1 . . . . 85 ARG HD3 . 6529 1 1031 . 1 1 85 85 ARG C C 13 179.078 0.1 . 1 . . . . 85 ARG C . 6529 1 1032 . 1 1 85 85 ARG CA C 13 60.000 0.05 . 1 . . . . 85 ARG CA . 6529 1 1033 . 1 1 85 85 ARG CB C 13 29.952 0.1 . 1 . . . . 85 ARG CB . 6529 1 1034 . 1 1 85 85 ARG CG C 13 27.963 0.1 . 1 . . . . 85 ARG CG . 6529 1 1035 . 1 1 85 85 ARG CD C 13 43.476 0.1 . 1 . . . . 85 ARG CD . 6529 1 1036 . 1 1 85 85 ARG N N 15 118.960 0.1 . 1 . . . . 85 ARG N . 6529 1 1037 . 1 1 86 86 ARG H H 1 7.960 0.01 . 1 . . . . 86 ARG H . 6529 1 1038 . 1 1 86 86 ARG HA H 1 3.990 0.01 . 1 . . . . 86 ARG HA . 6529 1 1039 . 1 1 86 86 ARG HB2 H 1 1.928 0.01 . 1 . . . . 86 ARG HB2 . 6529 1 1040 . 1 1 86 86 ARG HB3 H 1 1.928 0.01 . 1 . . . . 86 ARG HB3 . 6529 1 1041 . 1 1 86 86 ARG HG2 H 1 1.531 0.01 . 1 . . . . 86 ARG HG2 . 6529 1 1042 . 1 1 86 86 ARG HG3 H 1 1.531 0.01 . 1 . . . . 86 ARG HG3 . 6529 1 1043 . 1 1 86 86 ARG HD2 H 1 3.193 0.01 . 1 . . . . 86 ARG HD2 . 6529 1 1044 . 1 1 86 86 ARG HD3 H 1 3.193 0.01 . 1 . . . . 86 ARG HD3 . 6529 1 1045 . 1 1 86 86 ARG C C 13 178.764 0.1 . 1 . . . . 86 ARG C . 6529 1 1046 . 1 1 86 86 ARG CA C 13 59.617 0.05 . 1 . . . . 86 ARG CA . 6529 1 1047 . 1 1 86 86 ARG CB C 13 30.306 0.1 . 1 . . . . 86 ARG CB . 6529 1 1048 . 1 1 86 86 ARG CG C 13 27.933 0.1 . 1 . . . . 86 ARG CG . 6529 1 1049 . 1 1 86 86 ARG CD C 13 43.820 0.1 . 1 . . . . 86 ARG CD . 6529 1 1050 . 1 1 86 86 ARG N N 15 119.124 0.1 . 1 . . . . 86 ARG N . 6529 1 1051 . 1 1 87 87 MET H H 1 8.134 0.01 . 1 . . . . 87 MET H . 6529 1 1052 . 1 1 87 87 MET HA H 1 4.115 0.01 . 1 . . . . 87 MET HA . 6529 1 1053 . 1 1 87 87 MET HB2 H 1 2.298 0.01 . 1 . . . . 87 MET HB2 . 6529 1 1054 . 1 1 87 87 MET HB3 H 1 2.298 0.01 . 1 . . . . 87 MET HB3 . 6529 1 1055 . 1 1 87 87 MET HG2 H 1 2.710 0.01 . 2 . . . . 87 MET HG2 . 6529 1 1056 . 1 1 87 87 MET HG3 H 1 2.521 0.01 . 2 . . . . 87 MET HG3 . 6529 1 1057 . 1 1 87 87 MET HE1 H 1 2.034 0.01 . 1 . . . . 87 MET HE . 6529 1 1058 . 1 1 87 87 MET HE2 H 1 2.034 0.01 . 1 . . . . 87 MET HE . 6529 1 1059 . 1 1 87 87 MET HE3 H 1 2.034 0.01 . 1 . . . . 87 MET HE . 6529 1 1060 . 1 1 87 87 MET C C 13 177.991 0.1 . 1 . . . . 87 MET C . 6529 1 1061 . 1 1 87 87 MET CA C 13 59.201 0.05 . 1 . . . . 87 MET CA . 6529 1 1062 . 1 1 87 87 MET CB C 13 33.272 0.1 . 1 . . . . 87 MET CB . 6529 1 1063 . 1 1 87 87 MET CG C 13 33.012 0.1 . 1 . . . . 87 MET CG . 6529 1 1064 . 1 1 87 87 MET CE C 13 17.371 0.1 . 1 . . . . 87 MET CE . 6529 1 1065 . 1 1 87 87 MET N N 15 118.960 0.1 . 1 . . . . 87 MET N . 6529 1 1066 . 1 1 88 88 MET H H 1 8.347 0.01 . 1 . . . . 88 MET H . 6529 1 1067 . 1 1 88 88 MET HA H 1 4.048 0.01 . 1 . . . . 88 MET HA . 6529 1 1068 . 1 1 88 88 MET HB2 H 1 2.451 0.01 . 2 . . . . 88 MET HB2 . 6529 1 1069 . 1 1 88 88 MET HB3 H 1 2.182 0.01 . 2 . . . . 88 MET HB3 . 6529 1 1070 . 1 1 88 88 MET HG2 H 1 2.613 0.01 . 2 . . . . 88 MET HG2 . 6529 1 1071 . 1 1 88 88 MET HG3 H 1 2.442 0.01 . 2 . . . . 88 MET HG3 . 6529 1 1072 . 1 1 88 88 MET HE1 H 1 1.953 0.01 . 1 . . . . 88 MET HE . 6529 1 1073 . 1 1 88 88 MET HE2 H 1 1.953 0.01 . 1 . . . . 88 MET HE . 6529 1 1074 . 1 1 88 88 MET HE3 H 1 1.953 0.01 . 1 . . . . 88 MET HE . 6529 1 1075 . 1 1 88 88 MET C C 13 177.838 0.1 . 1 . . . . 88 MET C . 6529 1 1076 . 1 1 88 88 MET CA C 13 59.164 0.05 . 1 . . . . 88 MET CA . 6529 1 1077 . 1 1 88 88 MET CB C 13 32.743 0.1 . 1 . . . . 88 MET CB . 6529 1 1078 . 1 1 88 88 MET CG C 13 32.889 0.1 . 1 . . . . 88 MET CG . 6529 1 1079 . 1 1 88 88 MET CE C 13 18.040 0.1 . 1 . . . . 88 MET CE . 6529 1 1080 . 1 1 88 88 MET N N 15 117.610 0.1 . 1 . . . . 88 MET N . 6529 1 1081 . 1 1 89 89 ARG H H 1 7.687 0.01 . 1 . . . . 89 ARG H . 6529 1 1082 . 1 1 89 89 ARG HA H 1 4.096 0.01 . 1 . . . . 89 ARG HA . 6529 1 1083 . 1 1 89 89 ARG HB2 H 1 1.935 0.01 . 1 . . . . 89 ARG HB2 . 6529 1 1084 . 1 1 89 89 ARG HB3 H 1 1.935 0.01 . 1 . . . . 89 ARG HB3 . 6529 1 1085 . 1 1 89 89 ARG HG2 H 1 1.758 0.01 . 2 . . . . 89 ARG HG2 . 6529 1 1086 . 1 1 89 89 ARG HG3 H 1 1.720 0.01 . 2 . . . . 89 ARG HG3 . 6529 1 1087 . 1 1 89 89 ARG HD2 H 1 3.221 0.01 . 1 . . . . 89 ARG HD2 . 6529 1 1088 . 1 1 89 89 ARG HD3 H 1 3.221 0.01 . 1 . . . . 89 ARG HD3 . 6529 1 1089 . 1 1 89 89 ARG C C 13 179.139 0.1 . 1 . . . . 89 ARG C . 6529 1 1090 . 1 1 89 89 ARG CA C 13 59.004 0.05 . 1 . . . . 89 ARG CA . 6529 1 1091 . 1 1 89 89 ARG CB C 13 30.133 0.1 . 1 . . . . 89 ARG CB . 6529 1 1092 . 1 1 89 89 ARG CG C 13 27.391 0.1 . 1 . . . . 89 ARG CG . 6529 1 1093 . 1 1 89 89 ARG CD C 13 43.445 0.1 . 1 . . . . 89 ARG CD . 6529 1 1094 . 1 1 89 89 ARG N N 15 117.881 0.1 . 1 . . . . 89 ARG N . 6529 1 1095 . 1 1 90 90 LEU H H 1 7.843 0.01 . 1 . . . . 90 LEU H . 6529 1 1096 . 1 1 90 90 LEU HA H 1 4.192 0.01 . 1 . . . . 90 LEU HA . 6529 1 1097 . 1 1 90 90 LEU HB2 H 1 1.561 0.01 . 2 . . . . 90 LEU HB2 . 6529 1 1098 . 1 1 90 90 LEU HB3 H 1 2.002 0.01 . 2 . . . . 90 LEU HB3 . 6529 1 1099 . 1 1 90 90 LEU HG H 1 1.827 0.01 . 1 . . . . 90 LEU HG . 6529 1 1100 . 1 1 90 90 LEU HD11 H 1 0.895 0.01 . 2 . . . . 90 LEU HD1 . 6529 1 1101 . 1 1 90 90 LEU HD12 H 1 0.895 0.01 . 2 . . . . 90 LEU HD1 . 6529 1 1102 . 1 1 90 90 LEU HD13 H 1 0.895 0.01 . 2 . . . . 90 LEU HD1 . 6529 1 1103 . 1 1 90 90 LEU C C 13 180.162 0.1 . 1 . . . . 90 LEU C . 6529 1 1104 . 1 1 90 90 LEU CA C 13 57.869 0.05 . 1 . . . . 90 LEU CA . 6529 1 1105 . 1 1 90 90 LEU CB C 13 42.601 0.1 . 1 . . . . 90 LEU CB . 6529 1 1106 . 1 1 90 90 LEU CG C 13 27.093 0.1 . 1 . . . . 90 LEU CG . 6529 1 1107 . 1 1 90 90 LEU CD1 C 13 25.690 0.1 . 1 . . . . 90 LEU CD1 . 6529 1 1108 . 1 1 90 90 LEU CD2 C 13 23.847 0.1 . 1 . . . . 90 LEU CD2 . 6529 1 1109 . 1 1 90 90 LEU N N 15 119.288 0.1 . 1 . . . . 90 LEU N . 6529 1 1110 . 1 1 91 91 ALA H H 1 8.231 0.01 . 1 . . . . 91 ALA H . 6529 1 1111 . 1 1 91 91 ALA HA H 1 4.096 0.01 . 1 . . . . 91 ALA HA . 6529 1 1112 . 1 1 91 91 ALA HB1 H 1 1.571 0.01 . 1 . . . . 91 ALA HB . 6529 1 1113 . 1 1 91 91 ALA HB2 H 1 1.571 0.01 . 1 . . . . 91 ALA HB . 6529 1 1114 . 1 1 91 91 ALA HB3 H 1 1.571 0.01 . 1 . . . . 91 ALA HB . 6529 1 1115 . 1 1 91 91 ALA C C 13 178.965 0.1 . 1 . . . . 91 ALA C . 6529 1 1116 . 1 1 91 91 ALA CA C 13 55.369 0.05 . 1 . . . . 91 ALA CA . 6529 1 1117 . 1 1 91 91 ALA CB C 13 18.639 0.1 . 1 . . . . 91 ALA CB . 6529 1 1118 . 1 1 91 91 ALA N N 15 121.577 0.1 . 1 . . . . 91 ALA N . 6529 1 1119 . 1 1 92 92 GLU H H 1 7.972 0.01 . 1 . . . . 92 GLU H . 6529 1 1120 . 1 1 92 92 GLU HA H 1 4.171 0.01 . 1 . . . . 92 GLU HA . 6529 1 1121 . 1 1 92 92 GLU HB2 H 1 1.920 0.01 . 2 . . . . 92 GLU HB1 . 6529 1 1122 . 1 1 92 92 GLU HB3 H 1 2.229 0.01 . 2 . . . . 92 GLU HB2 . 6529 1 1123 . 1 1 92 92 GLU HG2 H 1 2.630 0.01 . 1 . . . . 92 GLU HG1 . 6529 1 1124 . 1 1 92 92 GLU HG3 H 1 2.630 0.01 . 1 . . . . 92 GLU HG2 . 6529 1 1125 . 1 1 92 92 GLU C C 13 177.936 0.1 . 1 . . . . 92 GLU C . 6529 1 1126 . 1 1 92 92 GLU CA C 13 58.479 0.05 . 1 . . . . 92 GLU CA . 6529 1 1127 . 1 1 92 92 GLU CB C 13 30.622 0.1 . 1 . . . . 92 GLU CB . 6529 1 1128 . 1 1 92 92 GLU CG C 13 36.702 0.1 . 1 . . . . 92 GLU CG . 6529 1 1129 . 1 1 92 92 GLU N N 15 113.317 0.1 . 1 . . . . 92 GLU N . 6529 1 1130 . 1 1 93 93 ASN H H 1 7.184 0.01 . 1 . . . . 93 ASN H . 6529 1 1131 . 1 1 93 93 ASN HA H 1 5.077 0.01 . 1 . . . . 93 ASN HA . 6529 1 1132 . 1 1 93 93 ASN HB2 H 1 2.757 0.01 . 2 . . . . 93 ASN HB2 . 6529 1 1133 . 1 1 93 93 ASN HB3 H 1 2.984 0.01 . 2 . . . . 93 ASN HB3 . 6529 1 1134 . 1 1 93 93 ASN HD21 H 1 7.713 0.01 . 2 . . . . 93 ASN HD21 . 6529 1 1135 . 1 1 93 93 ASN HD22 H 1 7.009 0.01 . 2 . . . . 93 ASN HD22 . 6529 1 1136 . 1 1 93 93 ASN C C 13 175.833 0.1 . 1 . . . . 93 ASN C . 6529 1 1137 . 1 1 93 93 ASN CA C 13 52.929 0.05 . 1 . . . . 93 ASN CA . 6529 1 1138 . 1 1 93 93 ASN CB C 13 40.828 0.1 . 1 . . . . 93 ASN CB . 6529 1 1139 . 1 1 93 93 ASN N N 15 111.413 0.1 . 1 . . . . 93 ASN N . 6529 1 1140 . 1 1 93 93 ASN ND2 N 15 113.599 0.1 . 1 . . . . 93 ASN ND2 . 6529 1 1141 . 1 1 94 94 ILE H H 1 7.644 0.01 . 1 . . . . 94 ILE H . 6529 1 1142 . 1 1 94 94 ILE HA H 1 3.731 0.01 . 1 . . . . 94 ILE HA . 6529 1 1143 . 1 1 94 94 ILE HB H 1 2.064 0.01 . 1 . . . . 94 ILE HB . 6529 1 1144 . 1 1 94 94 ILE HG12 H 1 1.003 0.01 . 1 . . . . 94 ILE HG12 . 6529 1 1145 . 1 1 94 94 ILE HG13 H 1 1.544 0.01 . 1 . . . . 94 ILE HG13 . 6529 1 1146 . 1 1 94 94 ILE HG21 H 1 0.945 0.01 . 1 . . . . 94 ILE HG2 . 6529 1 1147 . 1 1 94 94 ILE HG22 H 1 0.945 0.01 . 1 . . . . 94 ILE HG2 . 6529 1 1148 . 1 1 94 94 ILE HG23 H 1 0.945 0.01 . 1 . . . . 94 ILE HG2 . 6529 1 1149 . 1 1 94 94 ILE HD11 H 1 0.808 0.01 . 1 . . . . 94 ILE HD1 . 6529 1 1150 . 1 1 94 94 ILE HD12 H 1 0.808 0.01 . 1 . . . . 94 ILE HD1 . 6529 1 1151 . 1 1 94 94 ILE HD13 H 1 0.808 0.01 . 1 . . . . 94 ILE HD1 . 6529 1 1152 . 1 1 94 94 ILE CA C 13 67.777 0.05 . 1 . . . . 94 ILE CA . 6529 1 1153 . 1 1 94 94 ILE CB C 13 36.126 0.1 . 1 . . . . 94 ILE CB . 6529 1 1154 . 1 1 94 94 ILE CD1 C 13 13.553 0.1 . 1 . . . . 94 ILE CD1 . 6529 1 1155 . 1 1 94 94 ILE N N 15 122.241 0.1 . 1 . . . . 94 ILE N . 6529 1 1156 . 1 1 95 95 PRO HA H 1 3.771 0.01 . 1 . . . . 95 PRO HA . 6529 1 1157 . 1 1 95 95 PRO HB2 H 1 2.163 0.01 . 2 . . . . 95 PRO HB2 . 6529 1 1158 . 1 1 95 95 PRO HB3 H 1 2.277 0.01 . 2 . . . . 95 PRO HB3 . 6529 1 1159 . 1 1 95 95 PRO HG2 H 1 1.841 0.01 . 1 . . . . 95 PRO HG2 . 6529 1 1160 . 1 1 95 95 PRO HG3 H 1 1.841 0.01 . 1 . . . . 95 PRO HG3 . 6529 1 1161 . 1 1 95 95 PRO HD2 H 1 3.189 0.01 . 2 . . . . 95 PRO HD2 . 6529 1 1162 . 1 1 95 95 PRO HD3 H 1 3.739 0.01 . 2 . . . . 95 PRO HD3 . 6529 1 1163 . 1 1 95 95 PRO C C 13 178.283 0.1 . 1 . . . . 95 PRO C . 6529 1 1164 . 1 1 95 95 PRO CA C 13 67.293 0.05 . 1 . . . . 95 PRO CA . 6529 1 1165 . 1 1 95 95 PRO CB C 13 30.400 0.1 . 1 . . . . 95 PRO CB . 6529 1 1166 . 1 1 95 95 PRO CG C 13 29.407 0.1 . 1 . . . . 95 PRO CG . 6529 1 1167 . 1 1 95 95 PRO CD C 13 49.866 0.1 . 1 . . . . 95 PRO CD . 6529 1 1168 . 1 1 96 96 SER H H 1 7.383 0.01 . 1 . . . . 96 SER H . 6529 1 1169 . 1 1 96 96 SER HA H 1 4.466 0.01 . 1 . . . . 96 SER HA . 6529 1 1170 . 1 1 96 96 SER HB2 H 1 4.131 0.01 . 1 . . . . 96 SER HB2 . 6529 1 1171 . 1 1 96 96 SER HB3 H 1 4.131 0.01 . 1 . . . . 96 SER HB3 . 6529 1 1172 . 1 1 96 96 SER C C 13 178.577 0.1 . 1 . . . . 96 SER C . 6529 1 1173 . 1 1 96 96 SER CA C 13 61.567 0.05 . 1 . . . . 96 SER CA . 6529 1 1174 . 1 1 96 96 SER CB C 13 62.575 0.1 . 1 . . . . 96 SER CB . 6529 1 1175 . 1 1 96 96 SER N N 15 112.233 0.1 . 1 . . . . 96 SER N . 6529 1 1176 . 1 1 97 97 ARG H H 1 7.971 0.01 . 1 . . . . 97 ARG H . 6529 1 1177 . 1 1 97 97 ARG HA H 1 4.132 0.01 . 1 . . . . 97 ARG HA . 6529 1 1178 . 1 1 97 97 ARG HB2 H 1 1.929 0.01 . 2 . . . . 97 ARG HB2 . 6529 1 1179 . 1 1 97 97 ARG HB3 H 1 2.054 0.01 . 2 . . . . 97 ARG HB3 . 6529 1 1180 . 1 1 97 97 ARG HG2 H 1 1.694 0.01 . 1 . . . . 97 ARG HG2 . 6529 1 1181 . 1 1 97 97 ARG HG3 H 1 1.694 0.01 . 1 . . . . 97 ARG HG3 . 6529 1 1182 . 1 1 97 97 ARG HD2 H 1 3.223 0.01 . 1 . . . . 97 ARG HD2 . 6529 1 1183 . 1 1 97 97 ARG HD3 H 1 3.223 0.01 . 1 . . . . 97 ARG HD3 . 6529 1 1184 . 1 1 97 97 ARG C C 13 178.193 0.1 . 1 . . . . 97 ARG C . 6529 1 1185 . 1 1 97 97 ARG CA C 13 58.029 0.05 . 1 . . . . 97 ARG CA . 6529 1 1186 . 1 1 97 97 ARG CB C 13 28.983 0.1 . 1 . . . . 97 ARG CB . 6529 1 1187 . 1 1 97 97 ARG CG C 13 26.795 0.1 . 1 . . . . 97 ARG CG . 6529 1 1188 . 1 1 97 97 ARG CD C 13 42.096 0.1 . 1 . . . . 97 ARG CD . 6529 1 1189 . 1 1 97 97 ARG N N 15 123.225 0.1 . 1 . . . . 97 ARG N . 6529 1 1190 . 1 1 98 98 CYS H H 1 7.609 0.01 . 1 . . . . 98 CYS H . 6529 1 1191 . 1 1 98 98 CYS HA H 1 4.606 0.01 . 1 . . . . 98 CYS HA . 6529 1 1192 . 1 1 98 98 CYS HB2 H 1 2.574 0.01 . 2 . . . . 98 CYS HB2 . 6529 1 1193 . 1 1 98 98 CYS HB3 H 1 3.160 0.01 . 2 . . . . 98 CYS HB3 . 6529 1 1194 . 1 1 98 98 CYS C C 13 174.322 0.1 . 1 . . . . 98 CYS C . 6529 1 1195 . 1 1 98 98 CYS CA C 13 52.976 0.05 . 1 . . . . 98 CYS CA . 6529 1 1196 . 1 1 98 98 CYS CB C 13 37.397 0.1 . 1 . . . . 98 CYS CB . 6529 1 1197 . 1 1 98 98 CYS N N 15 114.366 0.1 . 1 . . . . 98 CYS N . 6529 1 1198 . 1 1 99 99 ASN H H 1 8.122 0.01 . 1 . . . . 99 ASN H . 6529 1 1199 . 1 1 99 99 ASN HA H 1 4.257 0.01 . 1 . . . . 99 ASN HA . 6529 1 1200 . 1 1 99 99 ASN HB2 H 1 2.694 0.01 . 2 . . . . 99 ASN HB2 . 6529 1 1201 . 1 1 99 99 ASN HB3 H 1 3.170 0.01 . 2 . . . . 99 ASN HB3 . 6529 1 1202 . 1 1 99 99 ASN HD21 H 1 7.514 0.01 . 2 . . . . 99 ASN HD21 . 6529 1 1203 . 1 1 99 99 ASN HD22 H 1 6.731 0.01 . 2 . . . . 99 ASN HD22 . 6529 1 1204 . 1 1 99 99 ASN C C 13 173.652 0.1 . 1 . . . . 99 ASN C . 6529 1 1205 . 1 1 99 99 ASN CA C 13 54.507 0.05 . 1 . . . . 99 ASN CA . 6529 1 1206 . 1 1 99 99 ASN CB C 13 37.555 0.1 . 1 . . . . 99 ASN CB . 6529 1 1207 . 1 1 99 99 ASN N N 15 118.528 0.1 . 1 . . . . 99 ASN N . 6529 1 1208 . 1 1 99 99 ASN ND2 N 15 111.878 0.1 . 1 . . . . 99 ASN ND2 . 6529 1 1209 . 1 1 100 100 LEU H H 1 8.124 0.01 . 1 . . . . 100 LEU H . 6529 1 1210 . 1 1 100 100 LEU HA H 1 4.686 0.01 . 1 . . . . 100 LEU HA . 6529 1 1211 . 1 1 100 100 LEU HB2 H 1 1.343 0.01 . 1 . . . . 100 LEU HB2 . 6529 1 1212 . 1 1 100 100 LEU HB3 H 1 1.343 0.01 . 1 . . . . 100 LEU HB3 . 6529 1 1213 . 1 1 100 100 LEU HG H 1 1.565 0.01 . 1 . . . . 100 LEU HG . 6529 1 1214 . 1 1 100 100 LEU HD11 H 1 0.856 0.01 . 2 . . . . 100 LEU HD1 . 6529 1 1215 . 1 1 100 100 LEU HD12 H 1 0.856 0.01 . 2 . . . . 100 LEU HD1 . 6529 1 1216 . 1 1 100 100 LEU HD13 H 1 0.856 0.01 . 2 . . . . 100 LEU HD1 . 6529 1 1217 . 1 1 100 100 LEU HD21 H 1 0.774 0.01 . 2 . . . . 100 LEU HD2 . 6529 1 1218 . 1 1 100 100 LEU HD22 H 1 0.774 0.01 . 2 . . . . 100 LEU HD2 . 6529 1 1219 . 1 1 100 100 LEU HD23 H 1 0.774 0.01 . 2 . . . . 100 LEU HD2 . 6529 1 1220 . 1 1 100 100 LEU C C 13 175.363 0.1 . 1 . . . . 100 LEU C . 6529 1 1221 . 1 1 100 100 LEU CA C 13 52.780 0.05 . 1 . . . . 100 LEU CA . 6529 1 1222 . 1 1 100 100 LEU CB C 13 45.670 0.1 . 1 . . . . 100 LEU CB . 6529 1 1223 . 1 1 100 100 LEU CG C 13 26.504 0.1 . 1 . . . . 100 LEU CG . 6529 1 1224 . 1 1 100 100 LEU CD1 C 13 23.243 0.1 . 1 . . . . 100 LEU CD1 . 6529 1 1225 . 1 1 100 100 LEU CD2 C 13 22.908 0.1 . 1 . . . . 100 LEU CD2 . 6529 1 1226 . 1 1 100 100 LEU N N 15 117.270 0.1 . 1 . . . . 100 LEU N . 6529 1 1227 . 1 1 101 101 SER H H 1 8.099 0.01 . 1 . . . . 101 SER H . 6529 1 1228 . 1 1 101 101 SER HA H 1 4.401 0.01 . 1 . . . . 101 SER HA . 6529 1 1229 . 1 1 101 101 SER HB2 H 1 3.719 0.01 . 2 . . . . 101 SER HB2 . 6529 1 1230 . 1 1 101 101 SER HB3 H 1 3.797 0.01 . 2 . . . . 101 SER HB3 . 6529 1 1231 . 1 1 101 101 SER CA C 13 56.711 0.05 . 1 . . . . 101 SER CA . 6529 1 1232 . 1 1 101 101 SER CB C 13 63.186 0.1 . 1 . . . . 101 SER CB . 6529 1 1233 . 1 1 101 101 SER N N 15 115.995 0.1 . 1 . . . . 101 SER N . 6529 1 1234 . 1 1 102 102 PRO HA H 1 4.395 0.01 . 1 . . . . 102 PRO HA . 6529 1 1235 . 1 1 102 102 PRO HB2 H 1 1.944 0.01 . 2 . . . . 102 PRO HB2 . 6529 1 1236 . 1 1 102 102 PRO HB3 H 1 2.089 0.01 . 2 . . . . 102 PRO HB3 . 6529 1 1237 . 1 1 102 102 PRO HG2 H 1 2.019 0.01 . 1 . . . . 102 PRO HG2 . 6529 1 1238 . 1 1 102 102 PRO HG3 H 1 2.019 0.01 . 1 . . . . 102 PRO HG3 . 6529 1 1239 . 1 1 102 102 PRO HD2 H 1 3.687 0.01 . 2 . . . . 102 PRO HD2 . 6529 1 1240 . 1 1 102 102 PRO HD3 H 1 3.837 0.01 . 2 . . . . 102 PRO HD3 . 6529 1 1241 . 1 1 102 102 PRO C C 13 176.135 0.1 . 1 . . . . 102 PRO C . 6529 1 1242 . 1 1 102 102 PRO CA C 13 63.045 0.05 . 1 . . . . 102 PRO CA . 6529 1 1243 . 1 1 102 102 PRO CB C 13 33.633 0.1 . 1 . . . . 102 PRO CB . 6529 1 1244 . 1 1 102 102 PRO CG C 13 25.690 0.1 . 1 . . . . 102 PRO CG . 6529 1 1245 . 1 1 102 102 PRO CD C 13 50.473 0.1 . 1 . . . . 102 PRO CD . 6529 1 1246 . 1 1 103 103 MET H H 1 8.646 0.01 . 1 . . . . 103 MET H . 6529 1 1247 . 1 1 103 103 MET HA H 1 3.976 0.01 . 1 . . . . 103 MET HA . 6529 1 1248 . 1 1 103 103 MET HB2 H 1 1.941 0.01 . 1 . . . . 103 MET HB2 . 6529 1 1249 . 1 1 103 103 MET HB3 H 1 1.941 0.01 . 1 . . . . 103 MET HB3 . 6529 1 1250 . 1 1 103 103 MET HG2 H 1 2.654 0.01 . 2 . . . . 103 MET HG2 . 6529 1 1251 . 1 1 103 103 MET HG3 H 1 2.450 0.01 . 2 . . . . 103 MET HG3 . 6529 1 1252 . 1 1 103 103 MET HE1 H 1 2.071 0.01 . 1 . . . . 103 MET HE . 6529 1 1253 . 1 1 103 103 MET HE2 H 1 2.071 0.01 . 1 . . . . 103 MET HE . 6529 1 1254 . 1 1 103 103 MET HE3 H 1 2.071 0.01 . 1 . . . . 103 MET HE . 6529 1 1255 . 1 1 103 103 MET C C 13 175.978 0.1 . 1 . . . . 103 MET C . 6529 1 1256 . 1 1 103 103 MET CA C 13 59.270 0.05 . 1 . . . . 103 MET CA . 6529 1 1257 . 1 1 103 103 MET CB C 13 31.411 0.1 . 1 . . . . 103 MET CB . 6529 1 1258 . 1 1 103 103 MET CG C 13 33.133 0.1 . 1 . . . . 103 MET CG . 6529 1 1259 . 1 1 103 103 MET CE C 13 18.189 0.1 . 1 . . . . 103 MET CE . 6529 1 1260 . 1 1 103 103 MET N N 15 117.450 0.1 . 1 . . . . 103 MET N . 6529 1 1261 . 1 1 104 104 ARG H H 1 7.945 0.01 . 1 . . . . 104 ARG H . 6529 1 1262 . 1 1 104 104 ARG HA H 1 4.933 0.01 . 1 . . . . 104 ARG HA . 6529 1 1263 . 1 1 104 104 ARG HB2 H 1 1.743 0.01 . 1 . . . . 104 ARG HB2 . 6529 1 1264 . 1 1 104 104 ARG HB3 H 1 1.743 0.01 . 1 . . . . 104 ARG HB3 . 6529 1 1265 . 1 1 104 104 ARG HG2 H 1 1.740 0.01 . 1 . . . . 104 ARG HG2 . 6529 1 1266 . 1 1 104 104 ARG HG3 H 1 1.740 0.01 . 1 . . . . 104 ARG HG3 . 6529 1 1267 . 1 1 104 104 ARG HD2 H 1 3.201 0.01 . 1 . . . . 104 ARG HD2 . 6529 1 1268 . 1 1 104 104 ARG HD3 H 1 3.201 0.01 . 1 . . . . 104 ARG HD3 . 6529 1 1269 . 1 1 104 104 ARG C C 13 175.083 0.1 . 1 . . . . 104 ARG C . 6529 1 1270 . 1 1 104 104 ARG CA C 13 54.757 0.05 . 1 . . . . 104 ARG CA . 6529 1 1271 . 1 1 104 104 ARG CB C 13 33.495 0.1 . 1 . . . . 104 ARG CB . 6529 1 1272 . 1 1 104 104 ARG CG C 13 27.566 0.1 . 1 . . . . 104 ARG CG . 6529 1 1273 . 1 1 104 104 ARG CD C 13 43.405 0.1 . 1 . . . . 104 ARG CD . 6529 1 1274 . 1 1 104 104 ARG N N 15 118.348 0.1 . 1 . . . . 104 ARG N . 6529 1 1275 . 1 1 105 105 CYS H H 1 8.941 0.01 . 1 . . . . 105 CYS H . 6529 1 1276 . 1 1 105 105 CYS HA H 1 5.318 0.01 . 1 . . . . 105 CYS HA . 6529 1 1277 . 1 1 105 105 CYS HB2 H 1 2.487 0.01 . 2 . . . . 105 CYS HB2 . 6529 1 1278 . 1 1 105 105 CYS HB3 H 1 2.826 0.01 . 2 . . . . 105 CYS HB3 . 6529 1 1279 . 1 1 105 105 CYS CA C 13 50.152 0.05 . 1 . . . . 105 CYS CA . 6529 1 1280 . 1 1 105 105 CYS CB C 13 37.653 0.1 . 1 . . . . 105 CYS CB . 6529 1 1281 . 1 1 105 105 CYS N N 15 121.421 0.1 . 1 . . . . 105 CYS N . 6529 1 1282 . 1 1 106 106 PRO HA H 1 4.290 0.01 . 1 . . . . 106 PRO HA . 6529 1 1283 . 1 1 106 106 PRO HB2 H 1 1.952 0.01 . 2 . . . . 106 PRO HB2 . 6529 1 1284 . 1 1 106 106 PRO HB3 H 1 2.296 0.01 . 2 . . . . 106 PRO HB3 . 6529 1 1285 . 1 1 106 106 PRO HG2 H 1 2.147 0.01 . 1 . . . . 106 PRO HG2 . 6529 1 1286 . 1 1 106 106 PRO HG3 H 1 2.147 0.01 . 1 . . . . 106 PRO HG3 . 6529 1 1287 . 1 1 106 106 PRO HD2 H 1 3.727 0.01 . 2 . . . . 106 PRO HD2 . 6529 1 1288 . 1 1 106 106 PRO HD3 H 1 3.579 0.01 . 2 . . . . 106 PRO HD3 . 6529 1 1289 . 1 1 106 106 PRO C C 13 178.260 0.1 . 1 . . . . 106 PRO C . 6529 1 1290 . 1 1 106 106 PRO CA C 13 63.273 0.05 . 1 . . . . 106 PRO CA . 6529 1 1291 . 1 1 106 106 PRO CB C 13 31.964 0.1 . 1 . . . . 106 PRO CB . 6529 1 1292 . 1 1 106 106 PRO CG C 13 27.790 0.1 . 1 . . . . 106 PRO CG . 6529 1 1293 . 1 1 106 106 PRO CD C 13 50.455 0.1 . 1 . . . . 106 PRO CD . 6529 1 1294 . 1 1 107 107 MET H H 1 9.455 0.01 . 1 . . . . 107 MET H . 6529 1 1295 . 1 1 107 107 MET HA H 1 4.728 0.01 . 1 . . . . 107 MET HA . 6529 1 1296 . 1 1 107 107 MET HB2 H 1 2.047 0.01 . 2 . . . . 107 MET HB2 . 6529 1 1297 . 1 1 107 107 MET HB3 H 1 1.978 0.01 . 2 . . . . 107 MET HB3 . 6529 1 1298 . 1 1 107 107 MET HG2 H 1 3.014 0.01 . 2 . . . . 107 MET HG2 . 6529 1 1299 . 1 1 107 107 MET HG3 H 1 2.618 0.01 . 2 . . . . 107 MET HG3 . 6529 1 1300 . 1 1 107 107 MET HE1 H 1 1.870 0.01 . 1 . . . . 107 MET HE . 6529 1 1301 . 1 1 107 107 MET HE2 H 1 1.870 0.01 . 1 . . . . 107 MET HE . 6529 1 1302 . 1 1 107 107 MET HE3 H 1 1.870 0.01 . 1 . . . . 107 MET HE . 6529 1 1303 . 1 1 107 107 MET C C 13 176.960 0.1 . 1 . . . . 107 MET C . 6529 1 1304 . 1 1 107 107 MET CA C 13 54.507 0.05 . 1 . . . . 107 MET CA . 6529 1 1305 . 1 1 107 107 MET CB C 13 34.497 0.1 . 1 . . . . 107 MET CB . 6529 1 1306 . 1 1 107 107 MET CG C 13 33.361 0.1 . 1 . . . . 107 MET CG . 6529 1 1307 . 1 1 107 107 MET CE C 13 16.770 0.1 . 1 . . . . 107 MET CE . 6529 1 1308 . 1 1 107 107 MET N N 15 123.921 0.1 . 1 . . . . 107 MET N . 6529 1 1309 . 1 1 108 108 GLY H H 1 8.315 0.01 . 1 . . . . 108 GLY H . 6529 1 1310 . 1 1 108 108 GLY HA2 H 1 3.926 0.01 . 1 . . . . 108 GLY HA2 . 6529 1 1311 . 1 1 108 108 GLY HA3 H 1 3.926 0.01 . 1 . . . . 108 GLY HA3 . 6529 1 1312 . 1 1 108 108 GLY C C 13 174.697 0.1 . 1 . . . . 108 GLY C . 6529 1 1313 . 1 1 108 108 GLY CA C 13 45.915 0.05 . 1 . . . . 108 GLY CA . 6529 1 1314 . 1 1 108 108 GLY N N 15 109.190 0.1 . 1 . . . . 108 GLY N . 6529 1 1315 . 1 1 109 109 GLY H H 1 8.604 0.01 . 1 . . . . 109 GLY H . 6529 1 1316 . 1 1 109 109 GLY HA2 H 1 3.955 0.01 . 1 . . . . 109 GLY HA2 . 6529 1 1317 . 1 1 109 109 GLY HA3 H 1 3.955 0.01 . 1 . . . . 109 GLY HA3 . 6529 1 1318 . 1 1 109 109 GLY C C 13 174.688 0.1 . 1 . . . . 109 GLY C . 6529 1 1319 . 1 1 109 109 GLY CA C 13 45.630 0.05 . 1 . . . . 109 GLY CA . 6529 1 1320 . 1 1 109 109 GLY N N 15 109.919 0.1 . 1 . . . . 109 GLY N . 6529 1 1321 . 1 1 110 110 SER H H 1 8.184 0.01 . 1 . . . . 110 SER H . 6529 1 1322 . 1 1 110 110 SER HA H 1 4.389 0.01 . 1 . . . . 110 SER HA . 6529 1 1323 . 1 1 110 110 SER HB2 H 1 3.841 0.01 . 1 . . . . 110 SER HB2 . 6529 1 1324 . 1 1 110 110 SER HB3 H 1 3.841 0.01 . 1 . . . . 110 SER HB3 . 6529 1 1325 . 1 1 110 110 SER C C 13 174.507 0.1 . 1 . . . . 110 SER C . 6529 1 1326 . 1 1 110 110 SER CA C 13 59.181 0.05 . 1 . . . . 110 SER CA . 6529 1 1327 . 1 1 110 110 SER CB C 13 63.920 0.1 . 1 . . . . 110 SER CB . 6529 1 1328 . 1 1 110 110 SER N N 15 115.475 0.1 . 1 . . . . 110 SER N . 6529 1 1329 . 1 1 111 111 ILE H H 1 7.856 0.01 . 1 . . . . 111 ILE H . 6529 1 1330 . 1 1 111 111 ILE HA H 1 4.185 0.01 . 1 . . . . 111 ILE HA . 6529 1 1331 . 1 1 111 111 ILE HB H 1 1.844 0.01 . 1 . . . . 111 ILE HB . 6529 1 1332 . 1 1 111 111 ILE HG12 H 1 1.416 0.01 . 1 . . . . 111 ILE HG12 . 6529 1 1333 . 1 1 111 111 ILE HG13 H 1 1.139 0.01 . 1 . . . . 111 ILE HG13 . 6529 1 1334 . 1 1 111 111 ILE HG21 H 1 0.870 0.01 . 1 . . . . 111 ILE HG2 . 6529 1 1335 . 1 1 111 111 ILE HG22 H 1 0.870 0.01 . 1 . . . . 111 ILE HG2 . 6529 1 1336 . 1 1 111 111 ILE HG23 H 1 0.870 0.01 . 1 . . . . 111 ILE HG2 . 6529 1 1337 . 1 1 111 111 ILE HD11 H 1 0.854 0.01 . 1 . . . . 111 ILE HD1 . 6529 1 1338 . 1 1 111 111 ILE HD12 H 1 0.854 0.01 . 1 . . . . 111 ILE HD1 . 6529 1 1339 . 1 1 111 111 ILE HD13 H 1 0.854 0.01 . 1 . . . . 111 ILE HD1 . 6529 1 1340 . 1 1 111 111 ILE C C 13 175.508 0.1 . 1 . . . . 111 ILE C . 6529 1 1341 . 1 1 111 111 ILE CA C 13 60.894 0.05 . 1 . . . . 111 ILE CA . 6529 1 1342 . 1 1 111 111 ILE CB C 13 38.940 0.1 . 1 . . . . 111 ILE CB . 6529 1 1343 . 1 1 111 111 ILE CG1 C 13 27.295 0.1 . 2 . . . . 111 ILE CG1 . 6529 1 1344 . 1 1 111 111 ILE CG2 C 13 17.665 0.1 . 1 . . . . 111 ILE CG2 . 6529 1 1345 . 1 1 111 111 ILE CD1 C 13 13.190 0.1 . 1 . . . . 111 ILE CD1 . 6529 1 1346 . 1 1 111 111 ILE N N 15 120.680 0.1 . 1 . . . . 111 ILE N . 6529 1 1347 . 1 1 112 112 ALA H H 1 8.208 0.01 . 1 . . . . 112 ALA H . 6529 1 1348 . 1 1 112 112 ALA HA H 1 4.266 0.01 . 1 . . . . 112 ALA HA . 6529 1 1349 . 1 1 112 112 ALA HB1 H 1 1.327 0.01 . 1 . . . . 112 ALA HB . 6529 1 1350 . 1 1 112 112 ALA HB2 H 1 1.327 0.01 . 1 . . . . 112 ALA HB . 6529 1 1351 . 1 1 112 112 ALA HB3 H 1 1.327 0.01 . 1 . . . . 112 ALA HB . 6529 1 1352 . 1 1 112 112 ALA C C 13 177.675 0.1 . 1 . . . . 112 ALA C . 6529 1 1353 . 1 1 112 112 ALA CA C 13 52.874 0.05 . 1 . . . . 112 ALA CA . 6529 1 1354 . 1 1 112 112 ALA CB C 13 19.199 0.1 . 1 . . . . 112 ALA CB . 6529 1 1355 . 1 1 112 112 ALA N N 15 126.450 0.1 . 1 . . . . 112 ALA N . 6529 1 1356 . 1 1 113 113 GLY H H 1 8.138 0.01 . 1 . . . . 113 GLY H . 6529 1 1357 . 1 1 113 113 GLY HA2 H 1 3.909 0.01 . 2 . . . . 113 GLY HA2 . 6529 1 1358 . 1 1 113 113 GLY HA3 H 1 3.736 0.01 . 2 . . . . 113 GLY HA3 . 6529 1 1359 . 1 1 113 113 GLY C C 13 172.998 0.1 . 1 . . . . 113 GLY C . 6529 1 1360 . 1 1 113 113 GLY CA C 13 45.095 0.05 . 1 . . . . 113 GLY CA . 6529 1 1361 . 1 1 113 113 GLY N N 15 107.925 0.1 . 1 . . . . 113 GLY N . 6529 1 1362 . 1 1 114 114 PHE H H 1 7.618 0.01 . 1 . . . . 114 PHE H . 6529 1 1363 . 1 1 114 114 PHE HA H 1 4.420 0.01 . 1 . . . . 114 PHE HA . 6529 1 1364 . 1 1 114 114 PHE HB2 H 1 3.136 0.01 . 2 . . . . 114 PHE HB2 . 6529 1 1365 . 1 1 114 114 PHE HB3 H 1 2.894 0.01 . 2 . . . . 114 PHE HB3 . 6529 1 1366 . 1 1 114 114 PHE HD1 H 1 7.200 0.01 . 3 . . . . 114 PHE HD1 . 6529 1 1367 . 1 1 114 114 PHE CA C 13 59.139 0.05 . 1 . . . . 114 PHE CA . 6529 1 1368 . 1 1 114 114 PHE CB C 13 40.815 0.1 . 1 . . . . 114 PHE CB . 6529 1 1369 . 1 1 114 114 PHE N N 15 124.211 0.1 . 1 . . . . 114 PHE N . 6529 1 stop_ save_