data_27687 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27687 _Entry.Title ; NMR resonance assignments of the peach allergen Pru p 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-11-09 _Entry.Accession_date 2018-11-09 _Entry.Last_release_date 2018-11-09 _Entry.Original_release_date 2018-11-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sebastian Fuehrer . . . . 27687 2 Simone Trimmel . . . . 27687 3 Kathrin Breuker . . . . 27687 4 Martin Tollinger . . . . 27687 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27687 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 615 27687 '15N chemical shifts' 150 27687 '1H chemical shifts' 949 27687 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 2 . . 2019-04-03 2018-11-09 update BMRB 'update entry citation' 27687 1 . . 2019-01-08 2018-11-09 original author 'original release' 27687 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27687 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30542820 _Citation.Full_citation . _Citation.Title ; NMR resonance assignments of the pathogenesis-related peach allergen Pru p 1.0101 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 127 _Citation.Page_last 130 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sebastian Fuehrer . . . . 27687 1 2 Simone Trimmel . . . . 27687 1 3 Kathrin Breuker . . . . 27687 1 4 Martin Tollinger . . . . 27687 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27687 _Assembly.ID 1 _Assembly.Name 'Pru p 1.0101' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17516.7 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Pru p 1.0101' 1 $Pru_p_1.0101 A . yes native no no . . . 27687 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pru_p_1.0101 _Entity.Sf_category entity _Entity.Sf_framecode Pru_p_1.0101 _Entity.Entry_ID 27687 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Pru_p_1.0101 _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 ; GVFTYESEFTSEIPPPRLFK AFVLDADNLVPKIAPQAIKH SEILEGDGGPGTIKKITFGE GSQYGYVKHKIDSIDKENHS YSYTLIEGDALGDNLEKISY ETKLVASPSGGSIIKSTSHY HTKGDVEIKEEHVKAGKEKA SNLFKLIETYLKGHPDAYN ; _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 159 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 27687 1 2 2 VAL . 27687 1 3 3 PHE . 27687 1 4 4 THR . 27687 1 5 5 TYR . 27687 1 6 6 GLU . 27687 1 7 7 SER . 27687 1 8 8 GLU . 27687 1 9 9 PHE . 27687 1 10 10 THR . 27687 1 11 11 SER . 27687 1 12 12 GLU . 27687 1 13 13 ILE . 27687 1 14 14 PRO . 27687 1 15 15 PRO . 27687 1 16 16 PRO . 27687 1 17 17 ARG . 27687 1 18 18 LEU . 27687 1 19 19 PHE . 27687 1 20 20 LYS . 27687 1 21 21 ALA . 27687 1 22 22 PHE . 27687 1 23 23 VAL . 27687 1 24 24 LEU . 27687 1 25 25 ASP . 27687 1 26 26 ALA . 27687 1 27 27 ASP . 27687 1 28 28 ASN . 27687 1 29 29 LEU . 27687 1 30 30 VAL . 27687 1 31 31 PRO . 27687 1 32 32 LYS . 27687 1 33 33 ILE . 27687 1 34 34 ALA . 27687 1 35 35 PRO . 27687 1 36 36 GLN . 27687 1 37 37 ALA . 27687 1 38 38 ILE . 27687 1 39 39 LYS . 27687 1 40 40 HIS . 27687 1 41 41 SER . 27687 1 42 42 GLU . 27687 1 43 43 ILE . 27687 1 44 44 LEU . 27687 1 45 45 GLU . 27687 1 46 46 GLY . 27687 1 47 47 ASP . 27687 1 48 48 GLY . 27687 1 49 49 GLY . 27687 1 50 50 PRO . 27687 1 51 51 GLY . 27687 1 52 52 THR . 27687 1 53 53 ILE . 27687 1 54 54 LYS . 27687 1 55 55 LYS . 27687 1 56 56 ILE . 27687 1 57 57 THR . 27687 1 58 58 PHE . 27687 1 59 59 GLY . 27687 1 60 60 GLU . 27687 1 61 61 GLY . 27687 1 62 62 SER . 27687 1 63 63 GLN . 27687 1 64 64 TYR . 27687 1 65 65 GLY . 27687 1 66 66 TYR . 27687 1 67 67 VAL . 27687 1 68 68 LYS . 27687 1 69 69 HIS . 27687 1 70 70 LYS . 27687 1 71 71 ILE . 27687 1 72 72 ASP . 27687 1 73 73 SER . 27687 1 74 74 ILE . 27687 1 75 75 ASP . 27687 1 76 76 LYS . 27687 1 77 77 GLU . 27687 1 78 78 ASN . 27687 1 79 79 HIS . 27687 1 80 80 SER . 27687 1 81 81 TYR . 27687 1 82 82 SER . 27687 1 83 83 TYR . 27687 1 84 84 THR . 27687 1 85 85 LEU . 27687 1 86 86 ILE . 27687 1 87 87 GLU . 27687 1 88 88 GLY . 27687 1 89 89 ASP . 27687 1 90 90 ALA . 27687 1 91 91 LEU . 27687 1 92 92 GLY . 27687 1 93 93 ASP . 27687 1 94 94 ASN . 27687 1 95 95 LEU . 27687 1 96 96 GLU . 27687 1 97 97 LYS . 27687 1 98 98 ILE . 27687 1 99 99 SER . 27687 1 100 100 TYR . 27687 1 101 101 GLU . 27687 1 102 102 THR . 27687 1 103 103 LYS . 27687 1 104 104 LEU . 27687 1 105 105 VAL . 27687 1 106 106 ALA . 27687 1 107 107 SER . 27687 1 108 108 PRO . 27687 1 109 109 SER . 27687 1 110 110 GLY . 27687 1 111 111 GLY . 27687 1 112 112 SER . 27687 1 113 113 ILE . 27687 1 114 114 ILE . 27687 1 115 115 LYS . 27687 1 116 116 SER . 27687 1 117 117 THR . 27687 1 118 118 SER . 27687 1 119 119 HIS . 27687 1 120 120 TYR . 27687 1 121 121 HIS . 27687 1 122 122 THR . 27687 1 123 123 LYS . 27687 1 124 124 GLY . 27687 1 125 125 ASP . 27687 1 126 126 VAL . 27687 1 127 127 GLU . 27687 1 128 128 ILE . 27687 1 129 129 LYS . 27687 1 130 130 GLU . 27687 1 131 131 GLU . 27687 1 132 132 HIS . 27687 1 133 133 VAL . 27687 1 134 134 LYS . 27687 1 135 135 ALA . 27687 1 136 136 GLY . 27687 1 137 137 LYS . 27687 1 138 138 GLU . 27687 1 139 139 LYS . 27687 1 140 140 ALA . 27687 1 141 141 SER . 27687 1 142 142 ASN . 27687 1 143 143 LEU . 27687 1 144 144 PHE . 27687 1 145 145 LYS . 27687 1 146 146 LEU . 27687 1 147 147 ILE . 27687 1 148 148 GLU . 27687 1 149 149 THR . 27687 1 150 150 TYR . 27687 1 151 151 LEU . 27687 1 152 152 LYS . 27687 1 153 153 GLY . 27687 1 154 154 HIS . 27687 1 155 155 PRO . 27687 1 156 156 ASP . 27687 1 157 157 ALA . 27687 1 158 158 TYR . 27687 1 159 159 ASN . 27687 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27687 1 . VAL 2 2 27687 1 . PHE 3 3 27687 1 . THR 4 4 27687 1 . TYR 5 5 27687 1 . GLU 6 6 27687 1 . SER 7 7 27687 1 . GLU 8 8 27687 1 . PHE 9 9 27687 1 . THR 10 10 27687 1 . SER 11 11 27687 1 . GLU 12 12 27687 1 . ILE 13 13 27687 1 . PRO 14 14 27687 1 . PRO 15 15 27687 1 . PRO 16 16 27687 1 . ARG 17 17 27687 1 . LEU 18 18 27687 1 . PHE 19 19 27687 1 . LYS 20 20 27687 1 . ALA 21 21 27687 1 . PHE 22 22 27687 1 . VAL 23 23 27687 1 . LEU 24 24 27687 1 . ASP 25 25 27687 1 . ALA 26 26 27687 1 . ASP 27 27 27687 1 . ASN 28 28 27687 1 . LEU 29 29 27687 1 . VAL 30 30 27687 1 . PRO 31 31 27687 1 . LYS 32 32 27687 1 . ILE 33 33 27687 1 . ALA 34 34 27687 1 . PRO 35 35 27687 1 . GLN 36 36 27687 1 . ALA 37 37 27687 1 . ILE 38 38 27687 1 . LYS 39 39 27687 1 . HIS 40 40 27687 1 . SER 41 41 27687 1 . GLU 42 42 27687 1 . ILE 43 43 27687 1 . LEU 44 44 27687 1 . GLU 45 45 27687 1 . GLY 46 46 27687 1 . ASP 47 47 27687 1 . GLY 48 48 27687 1 . GLY 49 49 27687 1 . PRO 50 50 27687 1 . GLY 51 51 27687 1 . THR 52 52 27687 1 . ILE 53 53 27687 1 . LYS 54 54 27687 1 . LYS 55 55 27687 1 . ILE 56 56 27687 1 . THR 57 57 27687 1 . PHE 58 58 27687 1 . GLY 59 59 27687 1 . GLU 60 60 27687 1 . GLY 61 61 27687 1 . SER 62 62 27687 1 . GLN 63 63 27687 1 . TYR 64 64 27687 1 . GLY 65 65 27687 1 . TYR 66 66 27687 1 . VAL 67 67 27687 1 . LYS 68 68 27687 1 . HIS 69 69 27687 1 . LYS 70 70 27687 1 . ILE 71 71 27687 1 . ASP 72 72 27687 1 . SER 73 73 27687 1 . ILE 74 74 27687 1 . ASP 75 75 27687 1 . LYS 76 76 27687 1 . GLU 77 77 27687 1 . ASN 78 78 27687 1 . HIS 79 79 27687 1 . SER 80 80 27687 1 . TYR 81 81 27687 1 . SER 82 82 27687 1 . TYR 83 83 27687 1 . THR 84 84 27687 1 . LEU 85 85 27687 1 . ILE 86 86 27687 1 . GLU 87 87 27687 1 . GLY 88 88 27687 1 . ASP 89 89 27687 1 . ALA 90 90 27687 1 . LEU 91 91 27687 1 . GLY 92 92 27687 1 . ASP 93 93 27687 1 . ASN 94 94 27687 1 . LEU 95 95 27687 1 . GLU 96 96 27687 1 . LYS 97 97 27687 1 . ILE 98 98 27687 1 . SER 99 99 27687 1 . TYR 100 100 27687 1 . GLU 101 101 27687 1 . THR 102 102 27687 1 . LYS 103 103 27687 1 . LEU 104 104 27687 1 . VAL 105 105 27687 1 . ALA 106 106 27687 1 . SER 107 107 27687 1 . PRO 108 108 27687 1 . SER 109 109 27687 1 . GLY 110 110 27687 1 . GLY 111 111 27687 1 . SER 112 112 27687 1 . ILE 113 113 27687 1 . ILE 114 114 27687 1 . LYS 115 115 27687 1 . SER 116 116 27687 1 . THR 117 117 27687 1 . SER 118 118 27687 1 . HIS 119 119 27687 1 . TYR 120 120 27687 1 . HIS 121 121 27687 1 . THR 122 122 27687 1 . LYS 123 123 27687 1 . GLY 124 124 27687 1 . ASP 125 125 27687 1 . VAL 126 126 27687 1 . GLU 127 127 27687 1 . ILE 128 128 27687 1 . LYS 129 129 27687 1 . GLU 130 130 27687 1 . GLU 131 131 27687 1 . HIS 132 132 27687 1 . VAL 133 133 27687 1 . LYS 134 134 27687 1 . ALA 135 135 27687 1 . GLY 136 136 27687 1 . LYS 137 137 27687 1 . GLU 138 138 27687 1 . LYS 139 139 27687 1 . ALA 140 140 27687 1 . SER 141 141 27687 1 . ASN 142 142 27687 1 . LEU 143 143 27687 1 . PHE 144 144 27687 1 . LYS 145 145 27687 1 . LEU 146 146 27687 1 . ILE 147 147 27687 1 . GLU 148 148 27687 1 . THR 149 149 27687 1 . TYR 150 150 27687 1 . LEU 151 151 27687 1 . LYS 152 152 27687 1 . GLY 153 153 27687 1 . HIS 154 154 27687 1 . PRO 155 155 27687 1 . ASP 156 156 27687 1 . ALA 157 157 27687 1 . TYR 158 158 27687 1 . ASN 159 159 27687 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 27687 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Pru_p_1.0101 . 3760 organism . 'Prunus persica' peach . . Eukaryota Viridiplantae Prunus persica . . . . . . . . . . . . . 27687 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 27687 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Pru_p_1.0101 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Escherichia coli BL21 Star (DE3)' . . . . . pET28b . . . 27687 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27687 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pru p 1.0101' '[U-99% 13C; U-99% 15N]' . . 1 $Pru_p_1.0101 . . 0.6 . . mM . . . . 27687 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27687 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27687 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pru p 1.0101' '[U-99% 15N]' . . 1 $Pru_p_1.0101 . . 0.5 . . mM . . . . 27687 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27687 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27687 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.9 . pH 27687 1 pressure 1 . atm 27687 1 temperature 298 . K 27687 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27687 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27687 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27687 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27687 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27687 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Agilent DD2 . 500 . . . 27687 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27687 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27687 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27687 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27687 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27687 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27687 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27687 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27687 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27687 1 9 '3D (H)CC(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27687 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27687 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27687 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27687 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27687 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.00000000000000 . . . . . 27687 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27687 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27687 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27687 1 2 '2D 1H-13C HSQC' . . . 27687 1 3 '3D HNCO' . . . 27687 1 4 '3D HN(CA)CO' . . . 27687 1 5 '3D HNCACB' . . . 27687 1 6 '3D CBCA(CO)NH' . . . 27687 1 7 '3D HCCH-TOCSY' . . . 27687 1 8 '3D 1H-15N TOCSY' . . . 27687 1 9 '3D (H)CC(CO)NH-TOCSY' . . . 27687 1 10 '3D 1H-15N NOESY' . . . 27687 1 11 '3D 1H-13C NOESY' . . . 27687 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 $NMRPipe . . 27687 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.768 0.05 . 1 . . . . . 1 GLY HA2 . 27687 1 2 . 1 1 1 1 GLY HA3 H 1 3.768 0.05 . 1 . . . . . 1 GLY HA3 . 27687 1 3 . 1 1 1 1 GLY C C 13 168.976 0.10 . 1 . . . . . 1 GLY C . 27687 1 4 . 1 1 1 1 GLY CA C 13 43.371 0.15 . 1 . . . . . 1 GLY CA . 27687 1 5 . 1 1 2 2 VAL H H 1 8.091 0.01 . 1 . . . . . 2 VAL H . 27687 1 6 . 1 1 2 2 VAL HA H 1 4.847 0.05 . 1 . . . . . 2 VAL HA . 27687 1 7 . 1 1 2 2 VAL HB H 1 1.605 0.05 . 1 . . . . . 2 VAL HB . 27687 1 8 . 1 1 2 2 VAL HG11 H 1 0.431 0.05 . 1 . . . . . 2 VAL MG1 . 27687 1 9 . 1 1 2 2 VAL HG12 H 1 0.431 0.05 . 1 . . . . . 2 VAL MG1 . 27687 1 10 . 1 1 2 2 VAL HG13 H 1 0.431 0.05 . 1 . . . . . 2 VAL MG1 . 27687 1 11 . 1 1 2 2 VAL HG21 H 1 0.431 0.05 . 1 . . . . . 2 VAL MG2 . 27687 1 12 . 1 1 2 2 VAL HG22 H 1 0.431 0.05 . 1 . . . . . 2 VAL MG2 . 27687 1 13 . 1 1 2 2 VAL HG23 H 1 0.431 0.05 . 1 . . . . . 2 VAL MG2 . 27687 1 14 . 1 1 2 2 VAL C C 13 174.750 0.10 . 1 . . . . . 2 VAL C . 27687 1 15 . 1 1 2 2 VAL CA C 13 61.222 0.15 . 1 . . . . . 2 VAL CA . 27687 1 16 . 1 1 2 2 VAL CB C 13 33.599 0.15 . 1 . . . . . 2 VAL CB . 27687 1 17 . 1 1 2 2 VAL CG1 C 13 20.770 0.20 . 1 . . . . . 2 VAL CG1 . 27687 1 18 . 1 1 2 2 VAL CG2 C 13 20.770 0.20 . 1 . . . . . 2 VAL CG2 . 27687 1 19 . 1 1 2 2 VAL N N 15 120.328 0.05 . 1 . . . . . 2 VAL N . 27687 1 20 . 1 1 3 3 PHE H H 1 8.888 0.01 . 1 . . . . . 3 PHE H . 27687 1 21 . 1 1 3 3 PHE HA H 1 4.718 0.05 . 1 . . . . . 3 PHE HA . 27687 1 22 . 1 1 3 3 PHE HB2 H 1 3.157 0.05 . 2 . . . . . 3 PHE HB2 . 27687 1 23 . 1 1 3 3 PHE HB3 H 1 2.914 0.05 . 2 . . . . . 3 PHE HB3 . 27687 1 24 . 1 1 3 3 PHE C C 13 174.436 0.10 . 1 . . . . . 3 PHE C . 27687 1 25 . 1 1 3 3 PHE CA C 13 56.863 0.15 . 1 . . . . . 3 PHE CA . 27687 1 26 . 1 1 3 3 PHE CB C 13 42.261 0.15 . 1 . . . . . 3 PHE CB . 27687 1 27 . 1 1 3 3 PHE N N 15 127.943 0.05 . 1 . . . . . 3 PHE N . 27687 1 28 . 1 1 4 4 THR H H 1 8.538 0.01 . 1 . . . . . 4 THR H . 27687 1 29 . 1 1 4 4 THR HA H 1 5.348 0.05 . 1 . . . . . 4 THR HA . 27687 1 30 . 1 1 4 4 THR HB H 1 3.687 0.05 . 1 . . . . . 4 THR HB . 27687 1 31 . 1 1 4 4 THR HG21 H 1 0.999 0.05 . 1 . . . . . 4 THR MG . 27687 1 32 . 1 1 4 4 THR HG22 H 1 0.999 0.05 . 1 . . . . . 4 THR MG . 27687 1 33 . 1 1 4 4 THR HG23 H 1 0.999 0.05 . 1 . . . . . 4 THR MG . 27687 1 34 . 1 1 4 4 THR C C 13 173.394 0.10 . 1 . . . . . 4 THR C . 27687 1 35 . 1 1 4 4 THR CA C 13 62.553 0.15 . 1 . . . . . 4 THR CA . 27687 1 36 . 1 1 4 4 THR CB C 13 70.757 0.15 . 1 . . . . . 4 THR CB . 27687 1 37 . 1 1 4 4 THR CG2 C 13 22.278 0.20 . 1 . . . . . 4 THR CG2 . 27687 1 38 . 1 1 4 4 THR N N 15 123.348 0.05 . 1 . . . . . 4 THR N . 27687 1 39 . 1 1 5 5 TYR H H 1 9.056 0.01 . 1 . . . . . 5 TYR H . 27687 1 40 . 1 1 5 5 TYR HA H 1 4.796 0.05 . 1 . . . . . 5 TYR HA . 27687 1 41 . 1 1 5 5 TYR HB2 H 1 3.140 0.05 . 2 . . . . . 5 TYR HB2 . 27687 1 42 . 1 1 5 5 TYR HB3 H 1 2.720 0.05 . 2 . . . . . 5 TYR HB3 . 27687 1 43 . 1 1 5 5 TYR C C 13 174.657 0.10 . 1 . . . . . 5 TYR C . 27687 1 44 . 1 1 5 5 TYR CA C 13 57.185 0.15 . 1 . . . . . 5 TYR CA . 27687 1 45 . 1 1 5 5 TYR CB C 13 41.989 0.15 . 1 . . . . . 5 TYR CB . 27687 1 46 . 1 1 5 5 TYR N N 15 125.542 0.05 . 1 . . . . . 5 TYR N . 27687 1 47 . 1 1 6 6 GLU H H 1 8.918 0.01 . 1 . . . . . 6 GLU H . 27687 1 48 . 1 1 6 6 GLU HA H 1 5.308 0.05 . 1 . . . . . 6 GLU HA . 27687 1 49 . 1 1 6 6 GLU HB2 H 1 1.994 0.05 . 1 . . . . . 6 GLU HB2 . 27687 1 50 . 1 1 6 6 GLU HB3 H 1 1.994 0.05 . 1 . . . . . 6 GLU HB3 . 27687 1 51 . 1 1 6 6 GLU HG2 H 1 2.163 0.05 . 1 . . . . . 6 GLU HG2 . 27687 1 52 . 1 1 6 6 GLU HG3 H 1 2.163 0.05 . 1 . . . . . 6 GLU HG3 . 27687 1 53 . 1 1 6 6 GLU C C 13 175.897 0.10 . 1 . . . . . 6 GLU C . 27687 1 54 . 1 1 6 6 GLU CA C 13 55.140 0.15 . 1 . . . . . 6 GLU CA . 27687 1 55 . 1 1 6 6 GLU CB C 13 33.089 0.15 . 1 . . . . . 6 GLU CB . 27687 1 56 . 1 1 6 6 GLU CG C 13 36.199 0.20 . 1 . . . . . 6 GLU CG . 27687 1 57 . 1 1 6 6 GLU N N 15 123.963 0.05 . 1 . . . . . 6 GLU N . 27687 1 58 . 1 1 7 7 SER H H 1 8.991 0.01 . 1 . . . . . 7 SER H . 27687 1 59 . 1 1 7 7 SER HA H 1 4.758 0.05 . 1 . . . . . 7 SER HA . 27687 1 60 . 1 1 7 7 SER HB2 H 1 3.692 0.05 . 1 . . . . . 7 SER HB2 . 27687 1 61 . 1 1 7 7 SER HB3 H 1 3.692 0.05 . 1 . . . . . 7 SER HB3 . 27687 1 62 . 1 1 7 7 SER C C 13 172.161 0.10 . 1 . . . . . 7 SER C . 27687 1 63 . 1 1 7 7 SER CA C 13 57.640 0.15 . 1 . . . . . 7 SER CA . 27687 1 64 . 1 1 7 7 SER CB C 13 66.507 0.15 . 1 . . . . . 7 SER CB . 27687 1 65 . 1 1 7 7 SER N N 15 117.381 0.05 . 1 . . . . . 7 SER N . 27687 1 66 . 1 1 8 8 GLU H H 1 8.310 0.01 . 1 . . . . . 8 GLU H . 27687 1 67 . 1 1 8 8 GLU HA H 1 5.477 0.05 . 1 . . . . . 8 GLU HA . 27687 1 68 . 1 1 8 8 GLU HB2 H 1 1.887 0.05 . 1 . . . . . 8 GLU HB2 . 27687 1 69 . 1 1 8 8 GLU HB3 H 1 1.887 0.05 . 1 . . . . . 8 GLU HB3 . 27687 1 70 . 1 1 8 8 GLU HG2 H 1 2.030 0.05 . 1 . . . . . 8 GLU HG2 . 27687 1 71 . 1 1 8 8 GLU HG3 H 1 2.030 0.05 . 1 . . . . . 8 GLU HG3 . 27687 1 72 . 1 1 8 8 GLU C C 13 174.727 0.10 . 1 . . . . . 8 GLU C . 27687 1 73 . 1 1 8 8 GLU CA C 13 54.802 0.15 . 1 . . . . . 8 GLU CA . 27687 1 74 . 1 1 8 8 GLU CB C 13 33.745 0.15 . 1 . . . . . 8 GLU CB . 27687 1 75 . 1 1 8 8 GLU CG C 13 37.141 0.20 . 1 . . . . . 8 GLU CG . 27687 1 76 . 1 1 8 8 GLU N N 15 122.323 0.05 . 1 . . . . . 8 GLU N . 27687 1 77 . 1 1 9 9 PHE H H 1 8.705 0.01 . 1 . . . . . 9 PHE H . 27687 1 78 . 1 1 9 9 PHE HA H 1 5.090 0.05 . 1 . . . . . 9 PHE HA . 27687 1 79 . 1 1 9 9 PHE HB2 H 1 3.220 0.05 . 2 . . . . . 9 PHE HB2 . 27687 1 80 . 1 1 9 9 PHE HB3 H 1 2.666 0.05 . 2 . . . . . 9 PHE HB3 . 27687 1 81 . 1 1 9 9 PHE C C 13 173.989 0.10 . 1 . . . . . 9 PHE C . 27687 1 82 . 1 1 9 9 PHE CA C 13 55.066 0.15 . 1 . . . . . 9 PHE CA . 27687 1 83 . 1 1 9 9 PHE CB C 13 41.222 0.15 . 1 . . . . . 9 PHE CB . 27687 1 84 . 1 1 9 9 PHE N N 15 122.188 0.05 . 1 . . . . . 9 PHE N . 27687 1 85 . 1 1 10 10 THR H H 1 8.507 0.01 . 1 . . . . . 10 THR H . 27687 1 86 . 1 1 10 10 THR HA H 1 5.089 0.05 . 1 . . . . . 10 THR HA . 27687 1 87 . 1 1 10 10 THR HB H 1 4.180 0.05 . 1 . . . . . 10 THR HB . 27687 1 88 . 1 1 10 10 THR HG21 H 1 1.179 0.05 . 1 . . . . . 10 THR MG . 27687 1 89 . 1 1 10 10 THR HG22 H 1 1.179 0.05 . 1 . . . . . 10 THR MG . 27687 1 90 . 1 1 10 10 THR HG23 H 1 1.179 0.05 . 1 . . . . . 10 THR MG . 27687 1 91 . 1 1 10 10 THR C C 13 173.427 0.10 . 1 . . . . . 10 THR C . 27687 1 92 . 1 1 10 10 THR CA C 13 60.648 0.15 . 1 . . . . . 10 THR CA . 27687 1 93 . 1 1 10 10 THR CB C 13 71.414 0.15 . 1 . . . . . 10 THR CB . 27687 1 94 . 1 1 10 10 THR CG2 C 13 21.763 0.20 . 1 . . . . . 10 THR CG2 . 27687 1 95 . 1 1 10 10 THR N N 15 112.242 0.05 . 1 . . . . . 10 THR N . 27687 1 96 . 1 1 11 11 SER H H 1 8.648 0.01 . 1 . . . . . 11 SER H . 27687 1 97 . 1 1 11 11 SER HA H 1 4.936 0.05 . 1 . . . . . 11 SER HA . 27687 1 98 . 1 1 11 11 SER HB2 H 1 3.771 0.05 . 2 . . . . . 11 SER HB2 . 27687 1 99 . 1 1 11 11 SER HB3 H 1 3.345 0.05 . 2 . . . . . 11 SER HB3 . 27687 1 100 . 1 1 11 11 SER C C 13 175.540 0.10 . 1 . . . . . 11 SER C . 27687 1 101 . 1 1 11 11 SER CA C 13 56.059 0.15 . 1 . . . . . 11 SER CA . 27687 1 102 . 1 1 11 11 SER CB C 13 66.113 0.15 . 1 . . . . . 11 SER CB . 27687 1 103 . 1 1 11 11 SER N N 15 114.136 0.05 . 1 . . . . . 11 SER N . 27687 1 104 . 1 1 12 12 GLU H H 1 9.420 0.01 . 1 . . . . . 12 GLU H . 27687 1 105 . 1 1 12 12 GLU HA H 1 4.337 0.05 . 1 . . . . . 12 GLU HA . 27687 1 106 . 1 1 12 12 GLU HB2 H 1 1.802 0.05 . 1 . . . . . 12 GLU HB2 . 27687 1 107 . 1 1 12 12 GLU HB3 H 1 1.802 0.05 . 1 . . . . . 12 GLU HB3 . 27687 1 108 . 1 1 12 12 GLU HG2 H 1 2.289 0.05 . 1 . . . . . 12 GLU HG2 . 27687 1 109 . 1 1 12 12 GLU HG3 H 1 2.289 0.05 . 1 . . . . . 12 GLU HG3 . 27687 1 110 . 1 1 12 12 GLU C C 13 176.026 0.10 . 1 . . . . . 12 GLU C . 27687 1 111 . 1 1 12 12 GLU CA C 13 57.215 0.15 . 1 . . . . . 12 GLU CA . 27687 1 112 . 1 1 12 12 GLU CB C 13 30.636 0.15 . 1 . . . . . 12 GLU CB . 27687 1 113 . 1 1 12 12 GLU CG C 13 36.757 0.20 . 1 . . . . . 12 GLU CG . 27687 1 114 . 1 1 12 12 GLU N N 15 127.450 0.05 . 1 . . . . . 12 GLU N . 27687 1 115 . 1 1 13 13 ILE H H 1 8.556 0.01 . 1 . . . . . 13 ILE H . 27687 1 116 . 1 1 13 13 ILE HA H 1 4.466 0.05 . 1 . . . . . 13 ILE HA . 27687 1 117 . 1 1 13 13 ILE HB H 1 2.198 0.05 . 1 . . . . . 13 ILE HB . 27687 1 118 . 1 1 13 13 ILE C C 13 173.636 0.10 . 1 . . . . . 13 ILE C . 27687 1 119 . 1 1 13 13 ILE CA C 13 56.511 0.15 . 1 . . . . . 13 ILE CA . 27687 1 120 . 1 1 13 13 ILE CB C 13 36.757 0.15 . 1 . . . . . 13 ILE CB . 27687 1 121 . 1 1 13 13 ILE N N 15 122.343 0.05 . 1 . . . . . 13 ILE N . 27687 1 122 . 1 1 16 16 PRO HA H 1 4.076 0.05 . 1 . . . . . 16 PRO HA . 27687 1 123 . 1 1 16 16 PRO HB2 H 1 2.495 0.05 . 2 . . . . . 16 PRO HB2 . 27687 1 124 . 1 1 16 16 PRO HB3 H 1 1.946 0.05 . 2 . . . . . 16 PRO HB3 . 27687 1 125 . 1 1 16 16 PRO HG2 H 1 2.111 0.05 . 1 . . . . . 16 PRO HG2 . 27687 1 126 . 1 1 16 16 PRO HG3 H 1 2.111 0.05 . 1 . . . . . 16 PRO HG3 . 27687 1 127 . 1 1 16 16 PRO C C 13 179.384 0.10 . 1 . . . . . 16 PRO C . 27687 1 128 . 1 1 16 16 PRO CA C 13 66.520 0.15 . 1 . . . . . 16 PRO CA . 27687 1 129 . 1 1 16 16 PRO CB C 13 30.677 0.15 . 1 . . . . . 16 PRO CB . 27687 1 130 . 1 1 16 16 PRO CG C 13 28.613 0.20 . 1 . . . . . 16 PRO CG . 27687 1 131 . 1 1 16 16 PRO CD C 13 49.379 0.20 . 1 . . . . . 16 PRO CD . 27687 1 132 . 1 1 17 17 ARG H H 1 6.703 0.01 . 1 . . . . . 17 ARG H . 27687 1 133 . 1 1 17 17 ARG HA H 1 4.274 0.05 . 1 . . . . . 17 ARG HA . 27687 1 134 . 1 1 17 17 ARG HB2 H 1 1.656 0.05 . 1 . . . . . 17 ARG HB2 . 27687 1 135 . 1 1 17 17 ARG HB3 H 1 1.656 0.05 . 1 . . . . . 17 ARG HB3 . 27687 1 136 . 1 1 17 17 ARG HD2 H 1 3.262 0.05 . 1 . . . . . 17 ARG HD2 . 27687 1 137 . 1 1 17 17 ARG HD3 H 1 3.262 0.05 . 1 . . . . . 17 ARG HD3 . 27687 1 138 . 1 1 17 17 ARG HE H 1 6.841 0.05 . 1 . . . . . 17 ARG HE . 27687 1 139 . 1 1 17 17 ARG C C 13 177.264 0.10 . 1 . . . . . 17 ARG C . 27687 1 140 . 1 1 17 17 ARG CA C 13 59.005 0.15 . 1 . . . . . 17 ARG CA . 27687 1 141 . 1 1 17 17 ARG CB C 13 30.888 0.15 . 1 . . . . . 17 ARG CB . 27687 1 142 . 1 1 17 17 ARG CG C 13 28.344 0.20 . 1 . . . . . 17 ARG CG . 27687 1 143 . 1 1 17 17 ARG CD C 13 44.213 0.20 . 1 . . . . . 17 ARG CD . 27687 1 144 . 1 1 17 17 ARG N N 15 116.060 0.05 . 1 . . . . . 17 ARG N . 27687 1 145 . 1 1 17 17 ARG NE N 15 85.571 0.05 . 1 . . . . . 17 ARG NE . 27687 1 146 . 1 1 18 18 LEU H H 1 7.720 0.01 . 1 . . . . . 18 LEU H . 27687 1 147 . 1 1 18 18 LEU HA H 1 3.877 0.05 . 1 . . . . . 18 LEU HA . 27687 1 148 . 1 1 18 18 LEU HB2 H 1 1.638 0.05 . 1 . . . . . 18 LEU HB2 . 27687 1 149 . 1 1 18 18 LEU HB3 H 1 1.638 0.05 . 1 . . . . . 18 LEU HB3 . 27687 1 150 . 1 1 18 18 LEU HG H 1 1.601 0.05 . 1 . . . . . 18 LEU HG . 27687 1 151 . 1 1 18 18 LEU HD11 H 1 0.844 0.05 . 2 . . . . . 18 LEU MD1 . 27687 1 152 . 1 1 18 18 LEU HD12 H 1 0.844 0.05 . 2 . . . . . 18 LEU MD1 . 27687 1 153 . 1 1 18 18 LEU HD13 H 1 0.844 0.05 . 2 . . . . . 18 LEU MD1 . 27687 1 154 . 1 1 18 18 LEU HD21 H 1 1.277 0.05 . 2 . . . . . 18 LEU MD2 . 27687 1 155 . 1 1 18 18 LEU HD22 H 1 1.277 0.05 . 2 . . . . . 18 LEU MD2 . 27687 1 156 . 1 1 18 18 LEU HD23 H 1 1.277 0.05 . 2 . . . . . 18 LEU MD2 . 27687 1 157 . 1 1 18 18 LEU C C 13 178.369 0.10 . 1 . . . . . 18 LEU C . 27687 1 158 . 1 1 18 18 LEU CA C 13 57.707 0.15 . 1 . . . . . 18 LEU CA . 27687 1 159 . 1 1 18 18 LEU CB C 13 42.041 0.15 . 1 . . . . . 18 LEU CB . 27687 1 160 . 1 1 18 18 LEU CD1 C 13 23.598 0.20 . 2 . . . . . 18 LEU CD1 . 27687 1 161 . 1 1 18 18 LEU CD2 C 13 25.014 0.20 . 2 . . . . . 18 LEU CD2 . 27687 1 162 . 1 1 18 18 LEU N N 15 118.081 0.05 . 1 . . . . . 18 LEU N . 27687 1 163 . 1 1 19 19 PHE H H 1 9.252 0.01 . 1 . . . . . 19 PHE H . 27687 1 164 . 1 1 19 19 PHE HA H 1 3.899 0.05 . 1 . . . . . 19 PHE HA . 27687 1 165 . 1 1 19 19 PHE HB2 H 1 3.173 0.05 . 1 . . . . . 19 PHE HB2 . 27687 1 166 . 1 1 19 19 PHE HB3 H 1 3.173 0.05 . 1 . . . . . 19 PHE HB3 . 27687 1 167 . 1 1 19 19 PHE C C 13 177.837 0.10 . 1 . . . . . 19 PHE C . 27687 1 168 . 1 1 19 19 PHE CA C 13 62.397 0.15 . 1 . . . . . 19 PHE CA . 27687 1 169 . 1 1 19 19 PHE CB C 13 40.514 0.15 . 1 . . . . . 19 PHE CB . 27687 1 170 . 1 1 19 19 PHE N N 15 118.560 0.05 . 1 . . . . . 19 PHE N . 27687 1 171 . 1 1 20 20 LYS H H 1 7.657 0.01 . 1 . . . . . 20 LYS H . 27687 1 172 . 1 1 20 20 LYS HA H 1 3.747 0.05 . 1 . . . . . 20 LYS HA . 27687 1 173 . 1 1 20 20 LYS HB2 H 1 2.088 0.05 . 1 . . . . . 20 LYS HB2 . 27687 1 174 . 1 1 20 20 LYS HB3 H 1 2.088 0.05 . 1 . . . . . 20 LYS HB3 . 27687 1 175 . 1 1 20 20 LYS HG2 H 1 1.866 0.05 . 1 . . . . . 20 LYS HG2 . 27687 1 176 . 1 1 20 20 LYS HG3 H 1 1.866 0.05 . 1 . . . . . 20 LYS HG3 . 27687 1 177 . 1 1 20 20 LYS HD2 H 1 1.610 0.05 . 1 . . . . . 20 LYS HD2 . 27687 1 178 . 1 1 20 20 LYS HD3 H 1 1.610 0.05 . 1 . . . . . 20 LYS HD3 . 27687 1 179 . 1 1 20 20 LYS HE2 H 1 3.036 0.05 . 1 . . . . . 20 LYS HE2 . 27687 1 180 . 1 1 20 20 LYS HE3 H 1 3.036 0.05 . 1 . . . . . 20 LYS HE3 . 27687 1 181 . 1 1 20 20 LYS C C 13 176.346 0.10 . 1 . . . . . 20 LYS C . 27687 1 182 . 1 1 20 20 LYS CA C 13 60.322 0.15 . 1 . . . . . 20 LYS CA . 27687 1 183 . 1 1 20 20 LYS CB C 13 33.397 0.15 . 1 . . . . . 20 LYS CB . 27687 1 184 . 1 1 20 20 LYS CG C 13 26.383 0.20 . 1 . . . . . 20 LYS CG . 27687 1 185 . 1 1 20 20 LYS CD C 13 29.974 0.20 . 1 . . . . . 20 LYS CD . 27687 1 186 . 1 1 20 20 LYS CE C 13 42.233 0.20 . 1 . . . . . 20 LYS CE . 27687 1 187 . 1 1 20 20 LYS N N 15 118.085 0.05 . 1 . . . . . 20 LYS N . 27687 1 188 . 1 1 21 21 ALA H H 1 7.062 0.01 . 1 . . . . . 21 ALA H . 27687 1 189 . 1 1 21 21 ALA HA H 1 3.204 0.05 . 1 . . . . . 21 ALA HA . 27687 1 190 . 1 1 21 21 ALA HB1 H 1 0.880 0.05 . 1 . . . . . 21 ALA MB . 27687 1 191 . 1 1 21 21 ALA HB2 H 1 0.880 0.05 . 1 . . . . . 21 ALA MB . 27687 1 192 . 1 1 21 21 ALA HB3 H 1 0.880 0.05 . 1 . . . . . 21 ALA MB . 27687 1 193 . 1 1 21 21 ALA C C 13 175.397 0.10 . 1 . . . . . 21 ALA C . 27687 1 194 . 1 1 21 21 ALA CA C 13 54.419 0.15 . 1 . . . . . 21 ALA CA . 27687 1 195 . 1 1 21 21 ALA CB C 13 20.675 0.15 . 1 . . . . . 21 ALA CB . 27687 1 196 . 1 1 21 21 ALA N N 15 118.145 0.05 . 1 . . . . . 21 ALA N . 27687 1 197 . 1 1 22 22 PHE H H 1 8.273 0.01 . 1 . . . . . 22 PHE H . 27687 1 198 . 1 1 22 22 PHE HA H 1 4.200 0.05 . 1 . . . . . 22 PHE HA . 27687 1 199 . 1 1 22 22 PHE HB2 H 1 3.013 0.05 . 2 . . . . . 22 PHE HB2 . 27687 1 200 . 1 1 22 22 PHE HB3 H 1 2.828 0.05 . 2 . . . . . 22 PHE HB3 . 27687 1 201 . 1 1 22 22 PHE C C 13 174.013 0.10 . 1 . . . . . 22 PHE C . 27687 1 202 . 1 1 22 22 PHE CA C 13 58.185 0.15 . 1 . . . . . 22 PHE CA . 27687 1 203 . 1 1 22 22 PHE CB C 13 40.444 0.15 . 1 . . . . . 22 PHE CB . 27687 1 204 . 1 1 22 22 PHE N N 15 109.929 0.05 . 1 . . . . . 22 PHE N . 27687 1 205 . 1 1 23 23 VAL H H 1 7.152 0.01 . 1 . . . . . 23 VAL H . 27687 1 206 . 1 1 23 23 VAL HA H 1 3.182 0.05 . 1 . . . . . 23 VAL HA . 27687 1 207 . 1 1 23 23 VAL HB H 1 0.753 0.05 . 1 . . . . . 23 VAL HB . 27687 1 208 . 1 1 23 23 VAL HG11 H 1 -0.279 0.05 . 2 . . . . . 23 VAL MG1 . 27687 1 209 . 1 1 23 23 VAL HG12 H 1 -0.279 0.05 . 2 . . . . . 23 VAL MG1 . 27687 1 210 . 1 1 23 23 VAL HG13 H 1 -0.279 0.05 . 2 . . . . . 23 VAL MG1 . 27687 1 211 . 1 1 23 23 VAL HG21 H 1 0.067 0.05 . 2 . . . . . 23 VAL MG2 . 27687 1 212 . 1 1 23 23 VAL HG22 H 1 0.067 0.05 . 2 . . . . . 23 VAL MG2 . 27687 1 213 . 1 1 23 23 VAL HG23 H 1 0.067 0.05 . 2 . . . . . 23 VAL MG2 . 27687 1 214 . 1 1 23 23 VAL C C 13 177.757 0.10 . 1 . . . . . 23 VAL C . 27687 1 215 . 1 1 23 23 VAL CA C 13 63.645 0.15 . 1 . . . . . 23 VAL CA . 27687 1 216 . 1 1 23 23 VAL CB C 13 31.094 0.15 . 1 . . . . . 23 VAL CB . 27687 1 217 . 1 1 23 23 VAL CG1 C 13 20.184 0.20 . 2 . . . . . 23 VAL CG1 . 27687 1 218 . 1 1 23 23 VAL CG2 C 13 21.066 0.20 . 2 . . . . . 23 VAL CG2 . 27687 1 219 . 1 1 23 23 VAL N N 15 113.984 0.05 . 1 . . . . . 23 VAL N . 27687 1 220 . 1 1 24 24 LEU H H 1 7.090 0.01 . 1 . . . . . 24 LEU H . 27687 1 221 . 1 1 24 24 LEU HA H 1 3.876 0.05 . 1 . . . . . 24 LEU HA . 27687 1 222 . 1 1 24 24 LEU HB2 H 1 2.035 0.05 . 2 . . . . . 24 LEU HB2 . 27687 1 223 . 1 1 24 24 LEU HB3 H 1 1.499 0.05 . 2 . . . . . 24 LEU HB3 . 27687 1 224 . 1 1 24 24 LEU HG H 1 1.064 0.05 . 1 . . . . . 24 LEU HG . 27687 1 225 . 1 1 24 24 LEU HD11 H 1 0.803 0.05 . 2 . . . . . 24 LEU MD1 . 27687 1 226 . 1 1 24 24 LEU HD12 H 1 0.803 0.05 . 2 . . . . . 24 LEU MD1 . 27687 1 227 . 1 1 24 24 LEU HD13 H 1 0.803 0.05 . 2 . . . . . 24 LEU MD1 . 27687 1 228 . 1 1 24 24 LEU HD21 H 1 0.831 0.05 . 2 . . . . . 24 LEU MD2 . 27687 1 229 . 1 1 24 24 LEU HD22 H 1 0.831 0.05 . 2 . . . . . 24 LEU MD2 . 27687 1 230 . 1 1 24 24 LEU HD23 H 1 0.831 0.05 . 2 . . . . . 24 LEU MD2 . 27687 1 231 . 1 1 24 24 LEU C C 13 178.485 0.10 . 1 . . . . . 24 LEU C . 27687 1 232 . 1 1 24 24 LEU CA C 13 57.448 0.15 . 1 . . . . . 24 LEU CA . 27687 1 233 . 1 1 24 24 LEU CB C 13 40.254 0.15 . 1 . . . . . 24 LEU CB . 27687 1 234 . 1 1 24 24 LEU CG C 13 25.985 0.20 . 1 . . . . . 24 LEU CG . 27687 1 235 . 1 1 24 24 LEU CD1 C 13 22.238 0.20 . 2 . . . . . 24 LEU CD1 . 27687 1 236 . 1 1 24 24 LEU CD2 C 13 25.371 0.20 . 2 . . . . . 24 LEU CD2 . 27687 1 237 . 1 1 24 24 LEU N N 15 115.331 0.05 . 1 . . . . . 24 LEU N . 27687 1 238 . 1 1 25 25 ASP H H 1 7.697 0.01 . 1 . . . . . 25 ASP H . 27687 1 239 . 1 1 25 25 ASP HA H 1 5.392 0.05 . 1 . . . . . 25 ASP HA . 27687 1 240 . 1 1 25 25 ASP HB2 H 1 2.816 0.05 . 1 . . . . . 25 ASP HB2 . 27687 1 241 . 1 1 25 25 ASP HB3 H 1 2.816 0.05 . 1 . . . . . 25 ASP HB3 . 27687 1 242 . 1 1 25 25 ASP C C 13 177.493 0.10 . 1 . . . . . 25 ASP C . 27687 1 243 . 1 1 25 25 ASP CA C 13 52.867 0.15 . 1 . . . . . 25 ASP CA . 27687 1 244 . 1 1 25 25 ASP CB C 13 43.511 0.15 . 1 . . . . . 25 ASP CB . 27687 1 245 . 1 1 25 25 ASP N N 15 116.907 0.05 . 1 . . . . . 25 ASP N . 27687 1 246 . 1 1 26 26 ALA H H 1 6.409 0.01 . 1 . . . . . 26 ALA H . 27687 1 247 . 1 1 26 26 ALA HB1 H 1 1.136 0.05 . 1 . . . . . 26 ALA MB . 27687 1 248 . 1 1 26 26 ALA HB2 H 1 1.136 0.05 . 1 . . . . . 26 ALA MB . 27687 1 249 . 1 1 26 26 ALA HB3 H 1 1.136 0.05 . 1 . . . . . 26 ALA MB . 27687 1 250 . 1 1 26 26 ALA C C 13 178.728 0.10 . 1 . . . . . 26 ALA C . 27687 1 251 . 1 1 26 26 ALA CA C 13 56.246 0.15 . 1 . . . . . 26 ALA CA . 27687 1 252 . 1 1 26 26 ALA CB C 13 18.834 0.15 . 1 . . . . . 26 ALA CB . 27687 1 253 . 1 1 26 26 ALA N N 15 122.744 0.05 . 1 . . . . . 26 ALA N . 27687 1 254 . 1 1 27 27 ASP H H 1 8.169 0.01 . 1 . . . . . 27 ASP H . 27687 1 255 . 1 1 27 27 ASP HA H 1 4.026 0.05 . 1 . . . . . 27 ASP HA . 27687 1 256 . 1 1 27 27 ASP HB2 H 1 2.372 0.05 . 1 . . . . . 27 ASP HB2 . 27687 1 257 . 1 1 27 27 ASP HB3 H 1 2.372 0.05 . 1 . . . . . 27 ASP HB3 . 27687 1 258 . 1 1 27 27 ASP C C 13 175.931 0.10 . 1 . . . . . 27 ASP C . 27687 1 259 . 1 1 27 27 ASP CA C 13 56.652 0.15 . 1 . . . . . 27 ASP CA . 27687 1 260 . 1 1 27 27 ASP CB C 13 39.962 0.15 . 1 . . . . . 27 ASP CB . 27687 1 261 . 1 1 27 27 ASP N N 15 113.483 0.05 . 1 . . . . . 27 ASP N . 27687 1 262 . 1 1 28 28 ASN H H 1 7.280 0.01 . 1 . . . . . 28 ASN H . 27687 1 263 . 1 1 28 28 ASN HA H 1 4.701 0.05 . 1 . . . . . 28 ASN HA . 27687 1 264 . 1 1 28 28 ASN HB2 H 1 2.714 0.05 . 1 . . . . . 28 ASN HB2 . 27687 1 265 . 1 1 28 28 ASN HB3 H 1 2.714 0.05 . 1 . . . . . 28 ASN HB3 . 27687 1 266 . 1 1 28 28 ASN HD21 H 1 6.956 0.05 . 2 . . . . . 28 ASN HD21 . 27687 1 267 . 1 1 28 28 ASN HD22 H 1 8.327 0.05 . 2 . . . . . 28 ASN HD22 . 27687 1 268 . 1 1 28 28 ASN C C 13 176.324 0.10 . 1 . . . . . 28 ASN C . 27687 1 269 . 1 1 28 28 ASN CA C 13 53.732 0.15 . 1 . . . . . 28 ASN CA . 27687 1 270 . 1 1 28 28 ASN CB C 13 40.162 0.15 . 1 . . . . . 28 ASN CB . 27687 1 271 . 1 1 28 28 ASN CG C 13 176.525 0.20 . 1 . . . . . 28 ASN CG . 27687 1 272 . 1 1 28 28 ASN N N 15 112.999 0.05 . 1 . . . . . 28 ASN N . 27687 1 273 . 1 1 28 28 ASN ND2 N 15 116.242 0.05 . 1 . . . . . 28 ASN ND2 . 27687 1 274 . 1 1 29 29 LEU H H 1 8.227 0.01 . 1 . . . . . 29 LEU H . 27687 1 275 . 1 1 29 29 LEU HA H 1 4.006 0.05 . 1 . . . . . 29 LEU HA . 27687 1 276 . 1 1 29 29 LEU HB2 H 1 1.417 0.05 . 1 . . . . . 29 LEU HB2 . 27687 1 277 . 1 1 29 29 LEU HB3 H 1 1.417 0.05 . 1 . . . . . 29 LEU HB3 . 27687 1 278 . 1 1 29 29 LEU HG H 1 0.634 0.05 . 1 . . . . . 29 LEU HG . 27687 1 279 . 1 1 29 29 LEU HD11 H 1 0.418 0.05 . 1 . . . . . 29 LEU MD1 . 27687 1 280 . 1 1 29 29 LEU HD12 H 1 0.418 0.05 . 1 . . . . . 29 LEU MD1 . 27687 1 281 . 1 1 29 29 LEU HD13 H 1 0.418 0.05 . 1 . . . . . 29 LEU MD1 . 27687 1 282 . 1 1 29 29 LEU HD21 H 1 0.418 0.05 . 1 . . . . . 29 LEU MD2 . 27687 1 283 . 1 1 29 29 LEU HD22 H 1 0.418 0.05 . 1 . . . . . 29 LEU MD2 . 27687 1 284 . 1 1 29 29 LEU HD23 H 1 0.418 0.05 . 1 . . . . . 29 LEU MD2 . 27687 1 285 . 1 1 29 29 LEU C C 13 177.990 0.10 . 1 . . . . . 29 LEU C . 27687 1 286 . 1 1 29 29 LEU CA C 13 57.628 0.15 . 1 . . . . . 29 LEU CA . 27687 1 287 . 1 1 29 29 LEU CB C 13 42.417 0.15 . 1 . . . . . 29 LEU CB . 27687 1 288 . 1 1 29 29 LEU CG C 13 25.588 0.20 . 1 . . . . . 29 LEU CG . 27687 1 289 . 1 1 29 29 LEU CD1 C 13 22.194 0.20 . 1 . . . . . 29 LEU CD1 . 27687 1 290 . 1 1 29 29 LEU CD2 C 13 22.194 0.20 . 1 . . . . . 29 LEU CD2 . 27687 1 291 . 1 1 29 29 LEU N N 15 120.771 0.05 . 1 . . . . . 29 LEU N . 27687 1 292 . 1 1 30 30 VAL H H 1 8.333 0.01 . 1 . . . . . 30 VAL H . 27687 1 293 . 1 1 30 30 VAL C C 13 174.319 0.10 . 1 . . . . . 30 VAL C . 27687 1 294 . 1 1 30 30 VAL CA C 13 68.942 0.15 . 1 . . . . . 30 VAL CA . 27687 1 295 . 1 1 30 30 VAL CB C 13 28.924 0.15 . 1 . . . . . 30 VAL CB . 27687 1 296 . 1 1 30 30 VAL N N 15 116.756 0.05 . 1 . . . . . 30 VAL N . 27687 1 297 . 1 1 31 31 PRO HA H 1 4.446 0.05 . 1 . . . . . 31 PRO HA . 27687 1 298 . 1 1 31 31 PRO HB2 H 1 2.374 0.05 . 2 . . . . . 31 PRO HB2 . 27687 1 299 . 1 1 31 31 PRO HB3 H 1 1.618 0.05 . 2 . . . . . 31 PRO HB3 . 27687 1 300 . 1 1 31 31 PRO HG2 H 1 2.037 0.05 . 1 . . . . . 31 PRO HG2 . 27687 1 301 . 1 1 31 31 PRO HG3 H 1 2.037 0.05 . 1 . . . . . 31 PRO HG3 . 27687 1 302 . 1 1 31 31 PRO C C 13 177.686 0.10 . 1 . . . . . 31 PRO C . 27687 1 303 . 1 1 31 31 PRO CA C 13 65.495 0.15 . 1 . . . . . 31 PRO CA . 27687 1 304 . 1 1 31 31 PRO CB C 13 31.419 0.15 . 1 . . . . . 31 PRO CB . 27687 1 305 . 1 1 31 31 PRO CG C 13 28.071 0.20 . 1 . . . . . 31 PRO CG . 27687 1 306 . 1 1 31 31 PRO CD C 13 50.398 0.20 . 1 . . . . . 31 PRO CD . 27687 1 307 . 1 1 32 32 LYS H H 1 7.004 0.01 . 1 . . . . . 32 LYS H . 27687 1 308 . 1 1 32 32 LYS HA H 1 4.152 0.05 . 1 . . . . . 32 LYS HA . 27687 1 309 . 1 1 32 32 LYS HB2 H 1 1.908 0.05 . 1 . . . . . 32 LYS HB2 . 27687 1 310 . 1 1 32 32 LYS HB3 H 1 1.908 0.05 . 1 . . . . . 32 LYS HB3 . 27687 1 311 . 1 1 32 32 LYS HG2 H 1 1.601 0.05 . 1 . . . . . 32 LYS HG2 . 27687 1 312 . 1 1 32 32 LYS HG3 H 1 1.601 0.05 . 1 . . . . . 32 LYS HG3 . 27687 1 313 . 1 1 32 32 LYS HD2 H 1 1.841 0.05 . 1 . . . . . 32 LYS HD2 . 27687 1 314 . 1 1 32 32 LYS HD3 H 1 1.841 0.05 . 1 . . . . . 32 LYS HD3 . 27687 1 315 . 1 1 32 32 LYS HE2 H 1 2.940 0.05 . 1 . . . . . 32 LYS HE2 . 27687 1 316 . 1 1 32 32 LYS HE3 H 1 2.940 0.05 . 1 . . . . . 32 LYS HE3 . 27687 1 317 . 1 1 32 32 LYS C C 13 178.203 0.10 . 1 . . . . . 32 LYS C . 27687 1 318 . 1 1 32 32 LYS CA C 13 58.068 0.15 . 1 . . . . . 32 LYS CA . 27687 1 319 . 1 1 32 32 LYS CB C 13 33.056 0.15 . 1 . . . . . 32 LYS CB . 27687 1 320 . 1 1 32 32 LYS CG C 13 25.190 0.20 . 1 . . . . . 32 LYS CG . 27687 1 321 . 1 1 32 32 LYS CD C 13 29.260 0.20 . 1 . . . . . 32 LYS CD . 27687 1 322 . 1 1 32 32 LYS CE C 13 42.017 0.20 . 1 . . . . . 32 LYS CE . 27687 1 323 . 1 1 32 32 LYS N N 15 112.090 0.05 . 1 . . . . . 32 LYS N . 27687 1 324 . 1 1 33 33 ILE H H 1 7.454 0.01 . 1 . . . . . 33 ILE H . 27687 1 325 . 1 1 33 33 ILE HA H 1 4.400 0.05 . 1 . . . . . 33 ILE HA . 27687 1 326 . 1 1 33 33 ILE HB H 1 1.909 0.05 . 1 . . . . . 33 ILE HB . 27687 1 327 . 1 1 33 33 ILE CA C 13 61.477 0.15 . 1 . . . . . 33 ILE CA . 27687 1 328 . 1 1 33 33 ILE CB C 13 39.740 0.15 . 1 . . . . . 33 ILE CB . 27687 1 329 . 1 1 33 33 ILE N N 15 111.292 0.05 . 1 . . . . . 33 ILE N . 27687 1 330 . 1 1 35 35 PRO HA H 1 4.657 0.05 . 1 . . . . . 35 PRO HA . 27687 1 331 . 1 1 35 35 PRO HB2 H 1 2.465 0.05 . 2 . . . . . 35 PRO HB2 . 27687 1 332 . 1 1 35 35 PRO HB3 H 1 2.006 0.05 . 2 . . . . . 35 PRO HB3 . 27687 1 333 . 1 1 35 35 PRO HG2 H 1 2.006 0.05 . 1 . . . . . 35 PRO HG2 . 27687 1 334 . 1 1 35 35 PRO HG3 H 1 2.006 0.05 . 1 . . . . . 35 PRO HG3 . 27687 1 335 . 1 1 35 35 PRO HD2 H 1 3.663 0.05 . 2 . . . . . 35 PRO HD2 . 27687 1 336 . 1 1 35 35 PRO HD3 H 1 3.363 0.05 . 2 . . . . . 35 PRO HD3 . 27687 1 337 . 1 1 35 35 PRO C C 13 177.520 0.10 . 1 . . . . . 35 PRO C . 27687 1 338 . 1 1 35 35 PRO CA C 13 64.220 0.15 . 1 . . . . . 35 PRO CA . 27687 1 339 . 1 1 35 35 PRO CB C 13 31.623 0.15 . 1 . . . . . 35 PRO CB . 27687 1 340 . 1 1 35 35 PRO CG C 13 27.271 0.20 . 1 . . . . . 35 PRO CG . 27687 1 341 . 1 1 35 35 PRO CD C 13 50.149 0.20 . 1 . . . . . 35 PRO CD . 27687 1 342 . 1 1 36 36 GLN H H 1 8.712 0.01 . 1 . . . . . 36 GLN H . 27687 1 343 . 1 1 36 36 GLN HA H 1 4.184 0.05 . 1 . . . . . 36 GLN HA . 27687 1 344 . 1 1 36 36 GLN HB2 H 1 2.025 0.05 . 1 . . . . . 36 GLN HB2 . 27687 1 345 . 1 1 36 36 GLN HB3 H 1 2.025 0.05 . 1 . . . . . 36 GLN HB3 . 27687 1 346 . 1 1 36 36 GLN HG2 H 1 2.294 0.05 . 1 . . . . . 36 GLN HG2 . 27687 1 347 . 1 1 36 36 GLN HG3 H 1 2.294 0.05 . 1 . . . . . 36 GLN HG3 . 27687 1 348 . 1 1 36 36 GLN HE21 H 1 7.622 0.05 . 2 . . . . . 36 GLN HE21 . 27687 1 349 . 1 1 36 36 GLN HE22 H 1 6.975 0.05 . 2 . . . . . 36 GLN HE22 . 27687 1 350 . 1 1 36 36 GLN C C 13 175.965 0.10 . 1 . . . . . 36 GLN C . 27687 1 351 . 1 1 36 36 GLN CA C 13 57.206 0.15 . 1 . . . . . 36 GLN CA . 27687 1 352 . 1 1 36 36 GLN CB C 13 27.459 0.15 . 1 . . . . . 36 GLN CB . 27687 1 353 . 1 1 36 36 GLN CG C 13 33.446 0.20 . 1 . . . . . 36 GLN CG . 27687 1 354 . 1 1 36 36 GLN CD C 13 180.981 0.20 . 1 . . . . . 36 GLN CD . 27687 1 355 . 1 1 36 36 GLN N N 15 115.900 0.05 . 1 . . . . . 36 GLN N . 27687 1 356 . 1 1 36 36 GLN NE2 N 15 111.820 0.05 . 1 . . . . . 36 GLN NE2 . 27687 1 357 . 1 1 37 37 ALA H H 1 8.075 0.01 . 1 . . . . . 37 ALA H . 27687 1 358 . 1 1 37 37 ALA HA H 1 4.326 0.05 . 1 . . . . . 37 ALA HA . 27687 1 359 . 1 1 37 37 ALA HB1 H 1 1.379 0.05 . 1 . . . . . 37 ALA MB . 27687 1 360 . 1 1 37 37 ALA HB2 H 1 1.379 0.05 . 1 . . . . . 37 ALA MB . 27687 1 361 . 1 1 37 37 ALA HB3 H 1 1.379 0.05 . 1 . . . . . 37 ALA MB . 27687 1 362 . 1 1 37 37 ALA CA C 13 53.629 0.15 . 1 . . . . . 37 ALA CA . 27687 1 363 . 1 1 37 37 ALA CB C 13 19.784 0.15 . 1 . . . . . 37 ALA CB . 27687 1 364 . 1 1 37 37 ALA N N 15 123.590 0.05 . 1 . . . . . 37 ALA N . 27687 1 365 . 1 1 39 39 LYS HA H 1 4.451 0.05 . 1 . . . . . 39 LYS HA . 27687 1 366 . 1 1 39 39 LYS HG2 H 1 1.392 0.05 . 1 . . . . . 39 LYS HG2 . 27687 1 367 . 1 1 39 39 LYS HG3 H 1 1.392 0.05 . 1 . . . . . 39 LYS HG3 . 27687 1 368 . 1 1 39 39 LYS HD2 H 1 1.639 0.05 . 1 . . . . . 39 LYS HD2 . 27687 1 369 . 1 1 39 39 LYS HD3 H 1 1.639 0.05 . 1 . . . . . 39 LYS HD3 . 27687 1 370 . 1 1 39 39 LYS HE2 H 1 2.945 0.05 . 1 . . . . . 39 LYS HE2 . 27687 1 371 . 1 1 39 39 LYS HE3 H 1 2.945 0.05 . 1 . . . . . 39 LYS HE3 . 27687 1 372 . 1 1 39 39 LYS C C 13 176.650 0.10 . 1 . . . . . 39 LYS C . 27687 1 373 . 1 1 39 39 LYS CA C 13 57.052 0.15 . 1 . . . . . 39 LYS CA . 27687 1 374 . 1 1 39 39 LYS CB C 13 34.058 0.15 . 1 . . . . . 39 LYS CB . 27687 1 375 . 1 1 39 39 LYS CG C 13 24.778 0.20 . 1 . . . . . 39 LYS CG . 27687 1 376 . 1 1 39 39 LYS CD C 13 29.208 0.20 . 1 . . . . . 39 LYS CD . 27687 1 377 . 1 1 39 39 LYS CE C 13 42.171 0.20 . 1 . . . . . 39 LYS CE . 27687 1 378 . 1 1 40 40 HIS H H 1 7.699 0.01 . 1 . . . . . 40 HIS H . 27687 1 379 . 1 1 40 40 HIS HA H 1 4.701 0.05 . 1 . . . . . 40 HIS HA . 27687 1 380 . 1 1 40 40 HIS HB2 H 1 3.055 0.05 . 1 . . . . . 40 HIS HB2 . 27687 1 381 . 1 1 40 40 HIS HB3 H 1 3.055 0.05 . 1 . . . . . 40 HIS HB3 . 27687 1 382 . 1 1 40 40 HIS C C 13 172.431 0.10 . 1 . . . . . 40 HIS C . 27687 1 383 . 1 1 40 40 HIS CA C 13 55.611 0.15 . 1 . . . . . 40 HIS CA . 27687 1 384 . 1 1 40 40 HIS CB C 13 33.300 0.15 . 1 . . . . . 40 HIS CB . 27687 1 385 . 1 1 40 40 HIS N N 15 114.910 0.05 . 1 . . . . . 40 HIS N . 27687 1 386 . 1 1 41 41 SER H H 1 7.966 0.01 . 1 . . . . . 41 SER H . 27687 1 387 . 1 1 41 41 SER HA H 1 5.152 0.05 . 1 . . . . . 41 SER HA . 27687 1 388 . 1 1 41 41 SER HB2 H 1 3.440 0.05 . 1 . . . . . 41 SER HB2 . 27687 1 389 . 1 1 41 41 SER HB3 H 1 3.440 0.05 . 1 . . . . . 41 SER HB3 . 27687 1 390 . 1 1 41 41 SER C C 13 172.612 0.10 . 1 . . . . . 41 SER C . 27687 1 391 . 1 1 41 41 SER CA C 13 56.152 0.15 . 1 . . . . . 41 SER CA . 27687 1 392 . 1 1 41 41 SER CB C 13 64.662 0.15 . 1 . . . . . 41 SER CB . 27687 1 393 . 1 1 41 41 SER N N 15 118.176 0.05 . 1 . . . . . 41 SER N . 27687 1 394 . 1 1 42 42 GLU H H 1 8.602 0.01 . 1 . . . . . 42 GLU H . 27687 1 395 . 1 1 42 42 GLU HA H 1 4.634 0.05 . 1 . . . . . 42 GLU HA . 27687 1 396 . 1 1 42 42 GLU HB2 H 1 1.912 0.05 . 1 . . . . . 42 GLU HB2 . 27687 1 397 . 1 1 42 42 GLU HB3 H 1 1.912 0.05 . 1 . . . . . 42 GLU HB3 . 27687 1 398 . 1 1 42 42 GLU HG2 H 1 2.000 0.05 . 1 . . . . . 42 GLU HG2 . 27687 1 399 . 1 1 42 42 GLU HG3 H 1 2.000 0.05 . 1 . . . . . 42 GLU HG3 . 27687 1 400 . 1 1 42 42 GLU C C 13 174.768 0.10 . 1 . . . . . 42 GLU C . 27687 1 401 . 1 1 42 42 GLU CA C 13 54.256 0.15 . 1 . . . . . 42 GLU CA . 27687 1 402 . 1 1 42 42 GLU CB C 13 34.017 0.15 . 1 . . . . . 42 GLU CB . 27687 1 403 . 1 1 42 42 GLU CG C 13 35.931 0.20 . 1 . . . . . 42 GLU CG . 27687 1 404 . 1 1 42 42 GLU N N 15 123.751 0.05 . 1 . . . . . 42 GLU N . 27687 1 405 . 1 1 43 43 ILE H H 1 8.924 0.01 . 1 . . . . . 43 ILE H . 27687 1 406 . 1 1 43 43 ILE HA H 1 4.056 0.05 . 1 . . . . . 43 ILE HA . 27687 1 407 . 1 1 43 43 ILE HB H 1 1.801 0.05 . 1 . . . . . 43 ILE HB . 27687 1 408 . 1 1 43 43 ILE HG12 H 1 1.803 0.05 . 1 . . . . . 43 ILE HG12 . 27687 1 409 . 1 1 43 43 ILE HG13 H 1 1.803 0.05 . 1 . . . . . 43 ILE HG13 . 27687 1 410 . 1 1 43 43 ILE HG21 H 1 0.734 0.05 . 1 . . . . . 43 ILE MG . 27687 1 411 . 1 1 43 43 ILE HG22 H 1 0.734 0.05 . 1 . . . . . 43 ILE MG . 27687 1 412 . 1 1 43 43 ILE HG23 H 1 0.734 0.05 . 1 . . . . . 43 ILE MG . 27687 1 413 . 1 1 43 43 ILE HD11 H 1 0.749 0.05 . 1 . . . . . 43 ILE MD . 27687 1 414 . 1 1 43 43 ILE HD12 H 1 0.749 0.05 . 1 . . . . . 43 ILE MD . 27687 1 415 . 1 1 43 43 ILE HD13 H 1 0.749 0.05 . 1 . . . . . 43 ILE MD . 27687 1 416 . 1 1 43 43 ILE C C 13 176.365 0.10 . 1 . . . . . 43 ILE C . 27687 1 417 . 1 1 43 43 ILE CA C 13 62.211 0.15 . 1 . . . . . 43 ILE CA . 27687 1 418 . 1 1 43 43 ILE CB C 13 37.840 0.15 . 1 . . . . . 43 ILE CB . 27687 1 419 . 1 1 43 43 ILE CG1 C 13 28.510 0.20 . 1 . . . . . 43 ILE CG1 . 27687 1 420 . 1 1 43 43 ILE CG2 C 13 18.108 0.20 . 1 . . . . . 43 ILE CG2 . 27687 1 421 . 1 1 43 43 ILE CD1 C 13 12.323 0.20 . 1 . . . . . 43 ILE CD1 . 27687 1 422 . 1 1 43 43 ILE N N 15 125.128 0.05 . 1 . . . . . 43 ILE N . 27687 1 423 . 1 1 44 44 LEU H H 1 9.199 0.01 . 1 . . . . . 44 LEU H . 27687 1 424 . 1 1 44 44 LEU HA H 1 4.460 0.05 . 1 . . . . . 44 LEU HA . 27687 1 425 . 1 1 44 44 LEU HB2 H 1 1.613 0.05 . 1 . . . . . 44 LEU HB2 . 27687 1 426 . 1 1 44 44 LEU HB3 H 1 1.613 0.05 . 1 . . . . . 44 LEU HB3 . 27687 1 427 . 1 1 44 44 LEU HG H 1 1.628 0.05 . 1 . . . . . 44 LEU HG . 27687 1 428 . 1 1 44 44 LEU HD11 H 1 0.819 0.05 . 1 . . . . . 44 LEU MD1 . 27687 1 429 . 1 1 44 44 LEU HD12 H 1 0.819 0.05 . 1 . . . . . 44 LEU MD1 . 27687 1 430 . 1 1 44 44 LEU HD13 H 1 0.819 0.05 . 1 . . . . . 44 LEU MD1 . 27687 1 431 . 1 1 44 44 LEU HD21 H 1 0.819 0.05 . 1 . . . . . 44 LEU MD2 . 27687 1 432 . 1 1 44 44 LEU HD22 H 1 0.819 0.05 . 1 . . . . . 44 LEU MD2 . 27687 1 433 . 1 1 44 44 LEU HD23 H 1 0.819 0.05 . 1 . . . . . 44 LEU MD2 . 27687 1 434 . 1 1 44 44 LEU C C 13 177.294 0.10 . 1 . . . . . 44 LEU C . 27687 1 435 . 1 1 44 44 LEU CA C 13 55.936 0.15 . 1 . . . . . 44 LEU CA . 27687 1 436 . 1 1 44 44 LEU CB C 13 42.565 0.15 . 1 . . . . . 44 LEU CB . 27687 1 437 . 1 1 44 44 LEU CG C 13 25.995 0.20 . 1 . . . . . 44 LEU CG . 27687 1 438 . 1 1 44 44 LEU CD1 C 13 22.363 0.20 . 1 . . . . . 44 LEU CD1 . 27687 1 439 . 1 1 44 44 LEU CD2 C 13 22.363 0.20 . 1 . . . . . 44 LEU CD2 . 27687 1 440 . 1 1 44 44 LEU N N 15 129.114 0.05 . 1 . . . . . 44 LEU N . 27687 1 441 . 1 1 45 45 GLU H H 1 7.645 0.01 . 1 . . . . . 45 GLU H . 27687 1 442 . 1 1 45 45 GLU HA H 1 4.608 0.05 . 1 . . . . . 45 GLU HA . 27687 1 443 . 1 1 45 45 GLU HB2 H 1 2.156 0.05 . 1 . . . . . 45 GLU HB2 . 27687 1 444 . 1 1 45 45 GLU HB3 H 1 2.156 0.05 . 1 . . . . . 45 GLU HB3 . 27687 1 445 . 1 1 45 45 GLU HG2 H 1 2.178 0.05 . 1 . . . . . 45 GLU HG2 . 27687 1 446 . 1 1 45 45 GLU HG3 H 1 2.178 0.05 . 1 . . . . . 45 GLU HG3 . 27687 1 447 . 1 1 45 45 GLU C C 13 174.704 0.10 . 1 . . . . . 45 GLU C . 27687 1 448 . 1 1 45 45 GLU CA C 13 55.712 0.15 . 1 . . . . . 45 GLU CA . 27687 1 449 . 1 1 45 45 GLU CB C 13 33.525 0.15 . 1 . . . . . 45 GLU CB . 27687 1 450 . 1 1 45 45 GLU CG C 13 36.086 0.20 . 1 . . . . . 45 GLU CG . 27687 1 451 . 1 1 45 45 GLU N N 15 116.194 0.05 . 1 . . . . . 45 GLU N . 27687 1 452 . 1 1 46 46 GLY H H 1 8.590 0.01 . 1 . . . . . 46 GLY H . 27687 1 453 . 1 1 46 46 GLY HA2 H 1 3.823 0.05 . 1 . . . . . 46 GLY HA2 . 27687 1 454 . 1 1 46 46 GLY HA3 H 1 3.823 0.05 . 1 . . . . . 46 GLY HA3 . 27687 1 455 . 1 1 46 46 GLY C C 13 173.650 0.10 . 1 . . . . . 46 GLY C . 27687 1 456 . 1 1 46 46 GLY CA C 13 44.581 0.15 . 1 . . . . . 46 GLY CA . 27687 1 457 . 1 1 46 46 GLY N N 15 109.957 0.05 . 1 . . . . . 46 GLY N . 27687 1 458 . 1 1 47 47 ASP H H 1 7.923 0.01 . 1 . . . . . 47 ASP H . 27687 1 459 . 1 1 47 47 ASP HA H 1 4.755 0.05 . 1 . . . . . 47 ASP HA . 27687 1 460 . 1 1 47 47 ASP HB2 H 1 3.053 0.05 . 2 . . . . . 47 ASP HB2 . 27687 1 461 . 1 1 47 47 ASP HB3 H 1 2.584 0.05 . 2 . . . . . 47 ASP HB3 . 27687 1 462 . 1 1 47 47 ASP C C 13 177.306 0.10 . 1 . . . . . 47 ASP C . 27687 1 463 . 1 1 47 47 ASP CA C 13 52.929 0.15 . 1 . . . . . 47 ASP CA . 27687 1 464 . 1 1 47 47 ASP CB C 13 41.715 0.15 . 1 . . . . . 47 ASP CB . 27687 1 465 . 1 1 47 47 ASP N N 15 115.217 0.05 . 1 . . . . . 47 ASP N . 27687 1 466 . 1 1 48 48 GLY H H 1 8.801 0.01 . 1 . . . . . 48 GLY H . 27687 1 467 . 1 1 48 48 GLY HA2 H 1 3.435 0.05 . 1 . . . . . 48 GLY HA2 . 27687 1 468 . 1 1 48 48 GLY HA3 H 1 3.435 0.05 . 1 . . . . . 48 GLY HA3 . 27687 1 469 . 1 1 48 48 GLY C C 13 174.718 0.10 . 1 . . . . . 48 GLY C . 27687 1 470 . 1 1 48 48 GLY CA C 13 45.170 0.15 . 1 . . . . . 48 GLY CA . 27687 1 471 . 1 1 48 48 GLY N N 15 110.764 0.05 . 1 . . . . . 48 GLY N . 27687 1 472 . 1 1 49 49 GLY H H 1 8.304 0.01 . 1 . . . . . 49 GLY H . 27687 1 473 . 1 1 49 49 GLY HA2 H 1 4.068 0.05 . 1 . . . . . 49 GLY HA2 . 27687 1 474 . 1 1 49 49 GLY HA3 H 1 4.068 0.05 . 1 . . . . . 49 GLY HA3 . 27687 1 475 . 1 1 49 49 GLY C C 13 172.376 0.10 . 1 . . . . . 49 GLY C . 27687 1 476 . 1 1 49 49 GLY CA C 13 43.661 0.15 . 1 . . . . . 49 GLY CA . 27687 1 477 . 1 1 49 49 GLY N N 15 106.831 0.05 . 1 . . . . . 49 GLY N . 27687 1 478 . 1 1 50 50 PRO HA H 1 3.989 0.05 . 1 . . . . . 50 PRO HA . 27687 1 479 . 1 1 50 50 PRO HB2 H 1 2.397 0.05 . 2 . . . . . 50 PRO HB2 . 27687 1 480 . 1 1 50 50 PRO HB3 H 1 1.944 0.05 . 2 . . . . . 50 PRO HB3 . 27687 1 481 . 1 1 50 50 PRO HG2 H 1 2.397 0.05 . 2 . . . . . 50 PRO HG2 . 27687 1 482 . 1 1 50 50 PRO HG3 H 1 1.944 0.05 . 2 . . . . . 50 PRO HG3 . 27687 1 483 . 1 1 50 50 PRO HD2 H 1 3.822 0.05 . 1 . . . . . 50 PRO HD2 . 27687 1 484 . 1 1 50 50 PRO HD3 H 1 3.822 0.05 . 1 . . . . . 50 PRO HD3 . 27687 1 485 . 1 1 50 50 PRO C C 13 176.572 0.10 . 1 . . . . . 50 PRO C . 27687 1 486 . 1 1 50 50 PRO CA C 13 64.775 0.15 . 1 . . . . . 50 PRO CA . 27687 1 487 . 1 1 50 50 PRO CB C 13 31.391 0.15 . 1 . . . . . 50 PRO CB . 27687 1 488 . 1 1 50 50 PRO CG C 13 28.850 0.20 . 1 . . . . . 50 PRO CG . 27687 1 489 . 1 1 50 50 PRO CD C 13 49.929 0.20 . 1 . . . . . 50 PRO CD . 27687 1 490 . 1 1 51 51 GLY H H 1 9.412 0.01 . 1 . . . . . 51 GLY H . 27687 1 491 . 1 1 51 51 GLY HA2 H 1 4.589 0.05 . 2 . . . . . 51 GLY HA2 . 27687 1 492 . 1 1 51 51 GLY HA3 H 1 3.521 0.05 . 2 . . . . . 51 GLY HA3 . 27687 1 493 . 1 1 51 51 GLY C C 13 174.141 0.10 . 1 . . . . . 51 GLY C . 27687 1 494 . 1 1 51 51 GLY CA C 13 44.836 0.15 . 1 . . . . . 51 GLY CA . 27687 1 495 . 1 1 51 51 GLY N N 15 114.383 0.05 . 1 . . . . . 51 GLY N . 27687 1 496 . 1 1 52 52 THR H H 1 7.948 0.01 . 1 . . . . . 52 THR H . 27687 1 497 . 1 1 52 52 THR HA H 1 4.691 0.05 . 1 . . . . . 52 THR HA . 27687 1 498 . 1 1 52 52 THR HB H 1 4.072 0.05 . 1 . . . . . 52 THR HB . 27687 1 499 . 1 1 52 52 THR HG21 H 1 1.288 0.05 . 1 . . . . . 52 THR MG . 27687 1 500 . 1 1 52 52 THR HG22 H 1 1.288 0.05 . 1 . . . . . 52 THR MG . 27687 1 501 . 1 1 52 52 THR HG23 H 1 1.288 0.05 . 1 . . . . . 52 THR MG . 27687 1 502 . 1 1 52 52 THR C C 13 173.367 0.10 . 1 . . . . . 52 THR C . 27687 1 503 . 1 1 52 52 THR CA C 13 64.283 0.15 . 1 . . . . . 52 THR CA . 27687 1 504 . 1 1 52 52 THR CB C 13 69.667 0.15 . 1 . . . . . 52 THR CB . 27687 1 505 . 1 1 52 52 THR CG2 C 13 21.172 0.20 . 1 . . . . . 52 THR CG2 . 27687 1 506 . 1 1 52 52 THR N N 15 118.810 0.05 . 1 . . . . . 52 THR N . 27687 1 507 . 1 1 53 53 ILE H H 1 8.559 0.01 . 1 . . . . . 53 ILE H . 27687 1 508 . 1 1 53 53 ILE HA H 1 5.296 0.05 . 1 . . . . . 53 ILE HA . 27687 1 509 . 1 1 53 53 ILE HB H 1 1.796 0.05 . 1 . . . . . 53 ILE HB . 27687 1 510 . 1 1 53 53 ILE HG12 H 1 0.958 0.05 . 1 . . . . . 53 ILE HG12 . 27687 1 511 . 1 1 53 53 ILE HG13 H 1 0.958 0.05 . 1 . . . . . 53 ILE HG13 . 27687 1 512 . 1 1 53 53 ILE HG21 H 1 0.900 0.05 . 1 . . . . . 53 ILE MG . 27687 1 513 . 1 1 53 53 ILE HG22 H 1 0.900 0.05 . 1 . . . . . 53 ILE MG . 27687 1 514 . 1 1 53 53 ILE HG23 H 1 0.900 0.05 . 1 . . . . . 53 ILE MG . 27687 1 515 . 1 1 53 53 ILE HD11 H 1 0.872 0.05 . 1 . . . . . 53 ILE MD . 27687 1 516 . 1 1 53 53 ILE HD12 H 1 0.872 0.05 . 1 . . . . . 53 ILE MD . 27687 1 517 . 1 1 53 53 ILE HD13 H 1 0.872 0.05 . 1 . . . . . 53 ILE MD . 27687 1 518 . 1 1 53 53 ILE C C 13 175.369 0.10 . 1 . . . . . 53 ILE C . 27687 1 519 . 1 1 53 53 ILE CA C 13 59.638 0.15 . 1 . . . . . 53 ILE CA . 27687 1 520 . 1 1 53 53 ILE CB C 13 39.787 0.15 . 1 . . . . . 53 ILE CB . 27687 1 521 . 1 1 53 53 ILE CG1 C 13 27.371 0.20 . 1 . . . . . 53 ILE CG1 . 27687 1 522 . 1 1 53 53 ILE CG2 C 13 17.898 0.20 . 1 . . . . . 53 ILE CG2 . 27687 1 523 . 1 1 53 53 ILE CD1 C 13 11.940 0.20 . 1 . . . . . 53 ILE CD1 . 27687 1 524 . 1 1 53 53 ILE N N 15 125.319 0.05 . 1 . . . . . 53 ILE N . 27687 1 525 . 1 1 54 54 LYS H H 1 9.452 0.01 . 1 . . . . . 54 LYS H . 27687 1 526 . 1 1 54 54 LYS HA H 1 5.295 0.05 . 1 . . . . . 54 LYS HA . 27687 1 527 . 1 1 54 54 LYS HB2 H 1 1.526 0.05 . 1 . . . . . 54 LYS HB2 . 27687 1 528 . 1 1 54 54 LYS HB3 H 1 1.526 0.05 . 1 . . . . . 54 LYS HB3 . 27687 1 529 . 1 1 54 54 LYS HG2 H 1 1.264 0.05 . 1 . . . . . 54 LYS HG2 . 27687 1 530 . 1 1 54 54 LYS HG3 H 1 1.264 0.05 . 1 . . . . . 54 LYS HG3 . 27687 1 531 . 1 1 54 54 LYS HD2 H 1 1.605 0.05 . 1 . . . . . 54 LYS HD2 . 27687 1 532 . 1 1 54 54 LYS HD3 H 1 1.605 0.05 . 1 . . . . . 54 LYS HD3 . 27687 1 533 . 1 1 54 54 LYS HE2 H 1 2.697 0.05 . 1 . . . . . 54 LYS HE2 . 27687 1 534 . 1 1 54 54 LYS HE3 H 1 2.697 0.05 . 1 . . . . . 54 LYS HE3 . 27687 1 535 . 1 1 54 54 LYS C C 13 174.389 0.10 . 1 . . . . . 54 LYS C . 27687 1 536 . 1 1 54 54 LYS CA C 13 54.084 0.15 . 1 . . . . . 54 LYS CA . 27687 1 537 . 1 1 54 54 LYS CB C 13 36.491 0.15 . 1 . . . . . 54 LYS CB . 27687 1 538 . 1 1 54 54 LYS CG C 13 25.480 0.20 . 1 . . . . . 54 LYS CG . 27687 1 539 . 1 1 54 54 LYS CD C 13 29.627 0.20 . 1 . . . . . 54 LYS CD . 27687 1 540 . 1 1 54 54 LYS CE C 13 41.489 0.20 . 1 . . . . . 54 LYS CE . 27687 1 541 . 1 1 54 54 LYS N N 15 126.535 0.05 . 1 . . . . . 54 LYS N . 27687 1 542 . 1 1 55 55 LYS H H 1 9.286 0.01 . 1 . . . . . 55 LYS H . 27687 1 543 . 1 1 55 55 LYS HA H 1 5.155 0.05 . 1 . . . . . 55 LYS HA . 27687 1 544 . 1 1 55 55 LYS HB2 H 1 1.843 0.05 . 2 . . . . . 55 LYS HB2 . 27687 1 545 . 1 1 55 55 LYS HB3 H 1 1.482 0.05 . 2 . . . . . 55 LYS HB3 . 27687 1 546 . 1 1 55 55 LYS HG2 H 1 1.209 0.05 . 1 . . . . . 55 LYS HG2 . 27687 1 547 . 1 1 55 55 LYS HG3 H 1 1.209 0.05 . 1 . . . . . 55 LYS HG3 . 27687 1 548 . 1 1 55 55 LYS HD2 H 1 1.393 0.05 . 1 . . . . . 55 LYS HD2 . 27687 1 549 . 1 1 55 55 LYS HD3 H 1 1.393 0.05 . 1 . . . . . 55 LYS HD3 . 27687 1 550 . 1 1 55 55 LYS HE2 H 1 2.452 0.05 . 1 . . . . . 55 LYS HE2 . 27687 1 551 . 1 1 55 55 LYS HE3 H 1 2.452 0.05 . 1 . . . . . 55 LYS HE3 . 27687 1 552 . 1 1 55 55 LYS C C 13 174.998 0.10 . 1 . . . . . 55 LYS C . 27687 1 553 . 1 1 55 55 LYS CA C 13 54.638 0.15 . 1 . . . . . 55 LYS CA . 27687 1 554 . 1 1 55 55 LYS CB C 13 36.224 0.15 . 1 . . . . . 55 LYS CB . 27687 1 555 . 1 1 55 55 LYS CG C 13 25.653 0.20 . 1 . . . . . 55 LYS CG . 27687 1 556 . 1 1 55 55 LYS CD C 13 29.779 0.20 . 1 . . . . . 55 LYS CD . 27687 1 557 . 1 1 55 55 LYS CE C 13 41.461 0.20 . 1 . . . . . 55 LYS CE . 27687 1 558 . 1 1 55 55 LYS N N 15 123.394 0.05 . 1 . . . . . 55 LYS N . 27687 1 559 . 1 1 56 56 ILE H H 1 9.248 0.01 . 1 . . . . . 56 ILE H . 27687 1 560 . 1 1 56 56 ILE HA H 1 4.678 0.05 . 1 . . . . . 56 ILE HA . 27687 1 561 . 1 1 56 56 ILE HB H 1 1.563 0.05 . 1 . . . . . 56 ILE HB . 27687 1 562 . 1 1 56 56 ILE HG21 H 1 0.706 0.05 . 1 . . . . . 56 ILE MG . 27687 1 563 . 1 1 56 56 ILE HG22 H 1 0.706 0.05 . 1 . . . . . 56 ILE MG . 27687 1 564 . 1 1 56 56 ILE HG23 H 1 0.706 0.05 . 1 . . . . . 56 ILE MG . 27687 1 565 . 1 1 56 56 ILE HD11 H 1 0.380 0.05 . 1 . . . . . 56 ILE MD . 27687 1 566 . 1 1 56 56 ILE HD12 H 1 0.380 0.05 . 1 . . . . . 56 ILE MD . 27687 1 567 . 1 1 56 56 ILE HD13 H 1 0.380 0.05 . 1 . . . . . 56 ILE MD . 27687 1 568 . 1 1 56 56 ILE C C 13 174.923 0.10 . 1 . . . . . 56 ILE C . 27687 1 569 . 1 1 56 56 ILE CA C 13 60.397 0.15 . 1 . . . . . 56 ILE CA . 27687 1 570 . 1 1 56 56 ILE CB C 13 39.825 0.15 . 1 . . . . . 56 ILE CB . 27687 1 571 . 1 1 56 56 ILE CG1 C 13 27.883 0.20 . 1 . . . . . 56 ILE CG1 . 27687 1 572 . 1 1 56 56 ILE CG2 C 13 19.039 0.20 . 1 . . . . . 56 ILE CG2 . 27687 1 573 . 1 1 56 56 ILE CD1 C 13 13.459 0.20 . 1 . . . . . 56 ILE CD1 . 27687 1 574 . 1 1 56 56 ILE N N 15 132.414 0.05 . 1 . . . . . 56 ILE N . 27687 1 575 . 1 1 57 57 THR H H 1 8.841 0.01 . 1 . . . . . 57 THR H . 27687 1 576 . 1 1 57 57 THR HA H 1 4.877 0.05 . 1 . . . . . 57 THR HA . 27687 1 577 . 1 1 57 57 THR HB H 1 3.916 0.05 . 1 . . . . . 57 THR HB . 27687 1 578 . 1 1 57 57 THR HG21 H 1 1.249 0.05 . 1 . . . . . 57 THR MG . 27687 1 579 . 1 1 57 57 THR HG22 H 1 1.249 0.05 . 1 . . . . . 57 THR MG . 27687 1 580 . 1 1 57 57 THR HG23 H 1 1.249 0.05 . 1 . . . . . 57 THR MG . 27687 1 581 . 1 1 57 57 THR C C 13 174.358 0.10 . 1 . . . . . 57 THR C . 27687 1 582 . 1 1 57 57 THR CA C 13 61.060 0.15 . 1 . . . . . 57 THR CA . 27687 1 583 . 1 1 57 57 THR CB C 13 70.152 0.15 . 1 . . . . . 57 THR CB . 27687 1 584 . 1 1 57 57 THR CG2 C 13 21.743 0.20 . 1 . . . . . 57 THR CG2 . 27687 1 585 . 1 1 57 57 THR N N 15 121.554 0.05 . 1 . . . . . 57 THR N . 27687 1 586 . 1 1 58 58 PHE H H 1 8.395 0.01 . 1 . . . . . 58 PHE H . 27687 1 587 . 1 1 58 58 PHE HA H 1 4.949 0.05 . 1 . . . . . 58 PHE HA . 27687 1 588 . 1 1 58 58 PHE HB2 H 1 3.127 0.05 . 2 . . . . . 58 PHE HB2 . 27687 1 589 . 1 1 58 58 PHE HB3 H 1 2.942 0.05 . 2 . . . . . 58 PHE HB3 . 27687 1 590 . 1 1 58 58 PHE C C 13 174.370 0.10 . 1 . . . . . 58 PHE C . 27687 1 591 . 1 1 58 58 PHE CA C 13 56.893 0.15 . 1 . . . . . 58 PHE CA . 27687 1 592 . 1 1 58 58 PHE CB C 13 40.652 0.15 . 1 . . . . . 58 PHE CB . 27687 1 593 . 1 1 58 58 PHE N N 15 123.628 0.05 . 1 . . . . . 58 PHE N . 27687 1 594 . 1 1 59 59 GLY H H 1 8.081 0.01 . 1 . . . . . 59 GLY H . 27687 1 595 . 1 1 59 59 GLY HA2 H 1 4.104 0.05 . 2 . . . . . 59 GLY HA2 . 27687 1 596 . 1 1 59 59 GLY HA3 H 1 3.917 0.05 . 2 . . . . . 59 GLY HA3 . 27687 1 597 . 1 1 59 59 GLY C C 13 172.277 0.10 . 1 . . . . . 59 GLY C . 27687 1 598 . 1 1 59 59 GLY CA C 13 44.790 0.15 . 1 . . . . . 59 GLY CA . 27687 1 599 . 1 1 59 59 GLY N N 15 105.354 0.05 . 1 . . . . . 59 GLY N . 27687 1 600 . 1 1 60 60 GLU H H 1 7.827 0.01 . 1 . . . . . 60 GLU H . 27687 1 601 . 1 1 60 60 GLU HA H 1 4.860 0.05 . 1 . . . . . 60 GLU HA . 27687 1 602 . 1 1 60 60 GLU C C 13 174.944 0.10 . 1 . . . . . 60 GLU C . 27687 1 603 . 1 1 60 60 GLU CA C 13 60.719 0.15 . 1 . . . . . 60 GLU CA . 27687 1 604 . 1 1 60 60 GLU CB C 13 33.618 0.15 . 1 . . . . . 60 GLU CB . 27687 1 605 . 1 1 60 60 GLU N N 15 120.740 0.05 . 1 . . . . . 60 GLU N . 27687 1 606 . 1 1 63 63 GLN HA H 1 4.248 0.01 . 1 . . . . . 63 GLN HA . 27687 1 607 . 1 1 63 63 GLN HB2 H 1 2.190 0.05 . 1 . . . . . 63 GLN HB2 . 27687 1 608 . 1 1 63 63 GLN HB3 H 1 2.190 0.05 . 1 . . . . . 63 GLN HB3 . 27687 1 609 . 1 1 63 63 GLN HG2 H 1 2.190 0.05 . 1 . . . . . 63 GLN HG2 . 27687 1 610 . 1 1 63 63 GLN HG3 H 1 2.190 0.05 . 1 . . . . . 63 GLN HG3 . 27687 1 611 . 1 1 63 63 GLN HE21 H 1 6.789 0.05 . 2 . . . . . 63 GLN HE21 . 27687 1 612 . 1 1 63 63 GLN HE22 H 1 7.473 0.05 . 2 . . . . . 63 GLN HE22 . 27687 1 613 . 1 1 63 63 GLN C C 13 174.929 0.10 . 1 . . . . . 63 GLN C . 27687 1 614 . 1 1 63 63 GLN CA C 13 56.211 0.15 . 1 . . . . . 63 GLN CA . 27687 1 615 . 1 1 63 63 GLN CB C 13 28.792 0.15 . 1 . . . . . 63 GLN CB . 27687 1 616 . 1 1 63 63 GLN CG C 13 33.762 0.20 . 1 . . . . . 63 GLN CG . 27687 1 617 . 1 1 63 63 GLN CD C 13 180.550 0.20 . 1 . . . . . 63 GLN CD . 27687 1 618 . 1 1 63 63 GLN NE2 N 15 112.240 0.05 . 1 . . . . . 63 GLN NE2 . 27687 1 619 . 1 1 64 64 TYR H H 1 7.822 0.01 . 1 . . . . . 64 TYR H . 27687 1 620 . 1 1 64 64 TYR HA H 1 4.824 0.05 . 1 . . . . . 64 TYR HA . 27687 1 621 . 1 1 64 64 TYR HB2 H 1 2.870 0.05 . 1 . . . . . 64 TYR HB2 . 27687 1 622 . 1 1 64 64 TYR HB3 H 1 2.870 0.05 . 1 . . . . . 64 TYR HB3 . 27687 1 623 . 1 1 64 64 TYR C C 13 175.688 0.10 . 1 . . . . . 64 TYR C . 27687 1 624 . 1 1 64 64 TYR CA C 13 56.856 0.15 . 1 . . . . . 64 TYR CA . 27687 1 625 . 1 1 64 64 TYR CB C 13 39.522 0.15 . 1 . . . . . 64 TYR CB . 27687 1 626 . 1 1 64 64 TYR N N 15 119.377 0.05 . 1 . . . . . 64 TYR N . 27687 1 627 . 1 1 65 65 GLY H H 1 8.213 0.01 . 1 . . . . . 65 GLY H . 27687 1 628 . 1 1 65 65 GLY HA2 H 1 4.090 0.05 . 2 . . . . . 65 GLY HA2 . 27687 1 629 . 1 1 65 65 GLY HA3 H 1 3.713 0.05 . 2 . . . . . 65 GLY HA3 . 27687 1 630 . 1 1 65 65 GLY C C 13 173.059 0.10 . 1 . . . . . 65 GLY C . 27687 1 631 . 1 1 65 65 GLY CA C 13 44.930 0.15 . 1 . . . . . 65 GLY CA . 27687 1 632 . 1 1 65 65 GLY N N 15 111.142 0.05 . 1 . . . . . 65 GLY N . 27687 1 633 . 1 1 66 66 TYR HA H 1 5.665 0.05 . 1 . . . . . 66 TYR HA . 27687 1 634 . 1 1 66 66 TYR HB2 H 1 2.867 0.05 . 1 . . . . . 66 TYR HB2 . 27687 1 635 . 1 1 66 66 TYR HB3 H 1 2.867 0.05 . 1 . . . . . 66 TYR HB3 . 27687 1 636 . 1 1 66 66 TYR C C 13 174.681 0.10 . 1 . . . . . 66 TYR C . 27687 1 637 . 1 1 66 66 TYR CA C 13 56.142 0.15 . 1 . . . . . 66 TYR CA . 27687 1 638 . 1 1 66 66 TYR CB C 13 41.825 0.15 . 1 . . . . . 66 TYR CB . 27687 1 639 . 1 1 67 67 VAL H H 1 8.979 0.01 . 1 . . . . . 67 VAL H . 27687 1 640 . 1 1 67 67 VAL HA H 1 4.985 0.05 . 1 . . . . . 67 VAL HA . 27687 1 641 . 1 1 67 67 VAL HB H 1 2.352 0.05 . 1 . . . . . 67 VAL HB . 27687 1 642 . 1 1 67 67 VAL HG11 H 1 0.828 0.05 . 2 . . . . . 67 VAL MG1 . 27687 1 643 . 1 1 67 67 VAL HG12 H 1 0.828 0.05 . 2 . . . . . 67 VAL MG1 . 27687 1 644 . 1 1 67 67 VAL HG13 H 1 0.828 0.05 . 2 . . . . . 67 VAL MG1 . 27687 1 645 . 1 1 67 67 VAL HG21 H 1 1.191 0.05 . 2 . . . . . 67 VAL MG2 . 27687 1 646 . 1 1 67 67 VAL HG22 H 1 1.191 0.05 . 2 . . . . . 67 VAL MG2 . 27687 1 647 . 1 1 67 67 VAL HG23 H 1 1.191 0.05 . 2 . . . . . 67 VAL MG2 . 27687 1 648 . 1 1 67 67 VAL C C 13 175.330 0.10 . 1 . . . . . 67 VAL C . 27687 1 649 . 1 1 67 67 VAL CA C 13 59.584 0.15 . 1 . . . . . 67 VAL CA . 27687 1 650 . 1 1 67 67 VAL CB C 13 36.703 0.15 . 1 . . . . . 67 VAL CB . 27687 1 651 . 1 1 67 67 VAL CG1 C 13 19.325 0.20 . 2 . . . . . 67 VAL CG1 . 27687 1 652 . 1 1 67 67 VAL CG2 C 13 23.650 0.20 . 2 . . . . . 67 VAL CG2 . 27687 1 653 . 1 1 67 67 VAL N N 15 113.199 0.05 . 1 . . . . . 67 VAL N . 27687 1 654 . 1 1 68 68 LYS H H 1 8.613 0.01 . 1 . . . . . 68 LYS H . 27687 1 655 . 1 1 68 68 LYS HA H 1 5.732 0.05 . 1 . . . . . 68 LYS HA . 27687 1 656 . 1 1 68 68 LYS HB2 H 1 1.758 0.05 . 1 . . . . . 68 LYS HB2 . 27687 1 657 . 1 1 68 68 LYS HB3 H 1 1.758 0.05 . 1 . . . . . 68 LYS HB3 . 27687 1 658 . 1 1 68 68 LYS HG2 H 1 1.696 0.05 . 1 . . . . . 68 LYS HG2 . 27687 1 659 . 1 1 68 68 LYS HG3 H 1 1.696 0.05 . 1 . . . . . 68 LYS HG3 . 27687 1 660 . 1 1 68 68 LYS HD2 H 1 1.628 0.05 . 1 . . . . . 68 LYS HD2 . 27687 1 661 . 1 1 68 68 LYS HD3 H 1 1.628 0.05 . 1 . . . . . 68 LYS HD3 . 27687 1 662 . 1 1 68 68 LYS HE2 H 1 2.718 0.05 . 1 . . . . . 68 LYS HE2 . 27687 1 663 . 1 1 68 68 LYS HE3 H 1 2.718 0.05 . 1 . . . . . 68 LYS HE3 . 27687 1 664 . 1 1 68 68 LYS C C 13 175.734 0.10 . 1 . . . . . 68 LYS C . 27687 1 665 . 1 1 68 68 LYS CA C 13 55.301 0.15 . 1 . . . . . 68 LYS CA . 27687 1 666 . 1 1 68 68 LYS CB C 13 36.564 0.15 . 1 . . . . . 68 LYS CB . 27687 1 667 . 1 1 68 68 LYS CG C 13 26.019 0.20 . 1 . . . . . 68 LYS CG . 27687 1 668 . 1 1 68 68 LYS CD C 13 29.705 0.20 . 1 . . . . . 68 LYS CD . 27687 1 669 . 1 1 68 68 LYS CE C 13 41.741 0.20 . 1 . . . . . 68 LYS CE . 27687 1 670 . 1 1 68 68 LYS N N 15 118.447 0.05 . 1 . . . . . 68 LYS N . 27687 1 671 . 1 1 69 69 HIS H H 1 9.102 0.01 . 1 . . . . . 69 HIS H . 27687 1 672 . 1 1 69 69 HIS HA H 1 5.961 0.05 . 1 . . . . . 69 HIS HA . 27687 1 673 . 1 1 69 69 HIS HB2 H 1 2.874 0.05 . 1 . . . . . 69 HIS HB2 . 27687 1 674 . 1 1 69 69 HIS HB3 H 1 2.874 0.05 . 1 . . . . . 69 HIS HB3 . 27687 1 675 . 1 1 69 69 HIS C C 13 174.042 0.10 . 1 . . . . . 69 HIS C . 27687 1 676 . 1 1 69 69 HIS CA C 13 52.340 0.15 . 1 . . . . . 69 HIS CA . 27687 1 677 . 1 1 69 69 HIS CB C 13 36.293 0.15 . 1 . . . . . 69 HIS CB . 27687 1 678 . 1 1 69 69 HIS N N 15 122.465 0.05 . 1 . . . . . 69 HIS N . 27687 1 679 . 1 1 70 70 LYS H H 1 9.732 0.01 . 1 . . . . . 70 LYS H . 27687 1 680 . 1 1 70 70 LYS HA H 1 5.596 0.05 . 1 . . . . . 70 LYS HA . 27687 1 681 . 1 1 70 70 LYS HB2 H 1 1.889 0.05 . 2 . . . . . 70 LYS HB2 . 27687 1 682 . 1 1 70 70 LYS HB3 H 1 1.539 0.05 . 2 . . . . . 70 LYS HB3 . 27687 1 683 . 1 1 70 70 LYS HG2 H 1 1.233 0.05 . 1 . . . . . 70 LYS HG2 . 27687 1 684 . 1 1 70 70 LYS HG3 H 1 1.233 0.05 . 1 . . . . . 70 LYS HG3 . 27687 1 685 . 1 1 70 70 LYS HD2 H 1 1.611 0.05 . 1 . . . . . 70 LYS HD2 . 27687 1 686 . 1 1 70 70 LYS HD3 H 1 1.611 0.05 . 1 . . . . . 70 LYS HD3 . 27687 1 687 . 1 1 70 70 LYS HE2 H 1 2.931 0.05 . 1 . . . . . 70 LYS HE2 . 27687 1 688 . 1 1 70 70 LYS HE3 H 1 2.931 0.05 . 1 . . . . . 70 LYS HE3 . 27687 1 689 . 1 1 70 70 LYS C C 13 175.902 0.10 . 1 . . . . . 70 LYS C . 27687 1 690 . 1 1 70 70 LYS CA C 13 53.646 0.15 . 1 . . . . . 70 LYS CA . 27687 1 691 . 1 1 70 70 LYS CB C 13 36.134 0.15 . 1 . . . . . 70 LYS CB . 27687 1 692 . 1 1 70 70 LYS CG C 13 24.370 0.20 . 1 . . . . . 70 LYS CG . 27687 1 693 . 1 1 70 70 LYS CD C 13 29.671 0.20 . 1 . . . . . 70 LYS CD . 27687 1 694 . 1 1 70 70 LYS CE C 13 42.107 0.20 . 1 . . . . . 70 LYS CE . 27687 1 695 . 1 1 70 70 LYS N N 15 123.676 0.05 . 1 . . . . . 70 LYS N . 27687 1 696 . 1 1 71 71 ILE H H 1 9.274 0.01 . 1 . . . . . 71 ILE H . 27687 1 697 . 1 1 71 71 ILE HA H 1 4.002 0.05 . 1 . . . . . 71 ILE HA . 27687 1 698 . 1 1 71 71 ILE HB H 1 2.125 0.05 . 1 . . . . . 71 ILE HB . 27687 1 699 . 1 1 71 71 ILE HG12 H 1 1.572 0.05 . 1 . . . . . 71 ILE HG12 . 27687 1 700 . 1 1 71 71 ILE HG13 H 1 1.572 0.05 . 1 . . . . . 71 ILE HG13 . 27687 1 701 . 1 1 71 71 ILE HG21 H 1 0.924 0.05 . 1 . . . . . 71 ILE MG . 27687 1 702 . 1 1 71 71 ILE HG22 H 1 0.924 0.05 . 1 . . . . . 71 ILE MG . 27687 1 703 . 1 1 71 71 ILE HG23 H 1 0.924 0.05 . 1 . . . . . 71 ILE MG . 27687 1 704 . 1 1 71 71 ILE HD11 H 1 0.914 0.05 . 1 . . . . . 71 ILE MD . 27687 1 705 . 1 1 71 71 ILE HD12 H 1 0.914 0.05 . 1 . . . . . 71 ILE MD . 27687 1 706 . 1 1 71 71 ILE HD13 H 1 0.914 0.05 . 1 . . . . . 71 ILE MD . 27687 1 707 . 1 1 71 71 ILE C C 13 175.215 0.10 . 1 . . . . . 71 ILE C . 27687 1 708 . 1 1 71 71 ILE CA C 13 62.499 0.15 . 1 . . . . . 71 ILE CA . 27687 1 709 . 1 1 71 71 ILE CB C 13 36.723 0.15 . 1 . . . . . 71 ILE CB . 27687 1 710 . 1 1 71 71 ILE CG1 C 13 27.416 0.20 . 1 . . . . . 71 ILE CG1 . 27687 1 711 . 1 1 71 71 ILE CG2 C 13 17.295 0.20 . 1 . . . . . 71 ILE CG2 . 27687 1 712 . 1 1 71 71 ILE CD1 C 13 11.743 0.20 . 1 . . . . . 71 ILE CD1 . 27687 1 713 . 1 1 71 71 ILE N N 15 126.580 0.05 . 1 . . . . . 71 ILE N . 27687 1 714 . 1 1 72 72 ASP H H 1 9.071 0.01 . 1 . . . . . 72 ASP H . 27687 1 715 . 1 1 72 72 ASP HA H 1 4.968 0.05 . 1 . . . . . 72 ASP HA . 27687 1 716 . 1 1 72 72 ASP HB2 H 1 2.587 0.05 . 2 . . . . . 72 ASP HB2 . 27687 1 717 . 1 1 72 72 ASP HB3 H 1 2.387 0.05 . 2 . . . . . 72 ASP HB3 . 27687 1 718 . 1 1 72 72 ASP C C 13 176.274 0.10 . 1 . . . . . 72 ASP C . 27687 1 719 . 1 1 72 72 ASP CA C 13 56.591 0.15 . 1 . . . . . 72 ASP CA . 27687 1 720 . 1 1 72 72 ASP CB C 13 42.712 0.15 . 1 . . . . . 72 ASP CB . 27687 1 721 . 1 1 72 72 ASP N N 15 130.750 0.05 . 1 . . . . . 72 ASP N . 27687 1 722 . 1 1 73 73 SER H H 1 8.264 0.01 . 1 . . . . . 73 SER H . 27687 1 723 . 1 1 73 73 SER HA H 1 4.631 0.05 . 1 . . . . . 73 SER HA . 27687 1 724 . 1 1 73 73 SER HB2 H 1 3.829 0.05 . 1 . . . . . 73 SER HB2 . 27687 1 725 . 1 1 73 73 SER HB3 H 1 3.829 0.05 . 1 . . . . . 73 SER HB3 . 27687 1 726 . 1 1 73 73 SER C C 13 172.639 0.10 . 1 . . . . . 73 SER C . 27687 1 727 . 1 1 73 73 SER CA C 13 58.352 0.15 . 1 . . . . . 73 SER CA . 27687 1 728 . 1 1 73 73 SER CB C 13 64.835 0.15 . 1 . . . . . 73 SER CB . 27687 1 729 . 1 1 73 73 SER N N 15 112.707 0.05 . 1 . . . . . 73 SER N . 27687 1 730 . 1 1 74 74 ILE H H 1 8.621 0.01 . 1 . . . . . 74 ILE H . 27687 1 731 . 1 1 74 74 ILE HA H 1 4.694 0.05 . 1 . . . . . 74 ILE HA . 27687 1 732 . 1 1 74 74 ILE HB H 1 2.023 0.05 . 1 . . . . . 74 ILE HB . 27687 1 733 . 1 1 74 74 ILE HG12 H 1 1.718 0.05 . 2 . . . . . 74 ILE HG12 . 27687 1 734 . 1 1 74 74 ILE HG13 H 1 1.229 0.05 . 2 . . . . . 74 ILE HG13 . 27687 1 735 . 1 1 74 74 ILE HG21 H 1 1.135 0.05 . 1 . . . . . 74 ILE MG . 27687 1 736 . 1 1 74 74 ILE HG22 H 1 1.135 0.05 . 1 . . . . . 74 ILE MG . 27687 1 737 . 1 1 74 74 ILE HG23 H 1 1.135 0.05 . 1 . . . . . 74 ILE MG . 27687 1 738 . 1 1 74 74 ILE HD11 H 1 1.000 0.05 . 1 . . . . . 74 ILE MD . 27687 1 739 . 1 1 74 74 ILE HD12 H 1 1.000 0.05 . 1 . . . . . 74 ILE MD . 27687 1 740 . 1 1 74 74 ILE HD13 H 1 1.000 0.05 . 1 . . . . . 74 ILE MD . 27687 1 741 . 1 1 74 74 ILE C C 13 173.663 0.10 . 1 . . . . . 74 ILE C . 27687 1 742 . 1 1 74 74 ILE CA C 13 62.260 0.15 . 1 . . . . . 74 ILE CA . 27687 1 743 . 1 1 74 74 ILE CB C 13 41.492 0.15 . 1 . . . . . 74 ILE CB . 27687 1 744 . 1 1 74 74 ILE CG1 C 13 28.272 0.20 . 1 . . . . . 74 ILE CG1 . 27687 1 745 . 1 1 74 74 ILE CG2 C 13 17.335 0.20 . 1 . . . . . 74 ILE CG2 . 27687 1 746 . 1 1 74 74 ILE CD1 C 13 14.305 0.20 . 1 . . . . . 74 ILE CD1 . 27687 1 747 . 1 1 74 74 ILE N N 15 121.797 0.05 . 1 . . . . . 74 ILE N . 27687 1 748 . 1 1 75 75 ASP H H 1 9.064 0.01 . 1 . . . . . 75 ASP H . 27687 1 749 . 1 1 75 75 ASP HA H 1 5.038 0.05 . 1 . . . . . 75 ASP HA . 27687 1 750 . 1 1 75 75 ASP HB2 H 1 3.164 0.05 . 2 . . . . . 75 ASP HB2 . 27687 1 751 . 1 1 75 75 ASP HB3 H 1 2.460 0.05 . 2 . . . . . 75 ASP HB3 . 27687 1 752 . 1 1 75 75 ASP C C 13 176.321 0.10 . 1 . . . . . 75 ASP C . 27687 1 753 . 1 1 75 75 ASP CA C 13 52.234 0.15 . 1 . . . . . 75 ASP CA . 27687 1 754 . 1 1 75 75 ASP CB C 13 41.607 0.15 . 1 . . . . . 75 ASP CB . 27687 1 755 . 1 1 75 75 ASP N N 15 127.752 0.05 . 1 . . . . . 75 ASP N . 27687 1 756 . 1 1 76 76 LYS H H 1 8.904 0.01 . 1 . . . . . 76 LYS H . 27687 1 757 . 1 1 76 76 LYS HA H 1 3.821 0.05 . 1 . . . . . 76 LYS HA . 27687 1 758 . 1 1 76 76 LYS HB2 H 1 1.917 0.05 . 1 . . . . . 76 LYS HB2 . 27687 1 759 . 1 1 76 76 LYS HB3 H 1 1.917 0.05 . 1 . . . . . 76 LYS HB3 . 27687 1 760 . 1 1 76 76 LYS HG2 H 1 1.603 0.05 . 1 . . . . . 76 LYS HG2 . 27687 1 761 . 1 1 76 76 LYS HG3 H 1 1.603 0.05 . 1 . . . . . 76 LYS HG3 . 27687 1 762 . 1 1 76 76 LYS HD2 H 1 1.603 0.05 . 1 . . . . . 76 LYS HD2 . 27687 1 763 . 1 1 76 76 LYS HD3 H 1 1.603 0.05 . 1 . . . . . 76 LYS HD3 . 27687 1 764 . 1 1 76 76 LYS HE2 H 1 3.043 0.05 . 1 . . . . . 76 LYS HE2 . 27687 1 765 . 1 1 76 76 LYS HE3 H 1 3.043 0.05 . 1 . . . . . 76 LYS HE3 . 27687 1 766 . 1 1 76 76 LYS C C 13 177.321 0.10 . 1 . . . . . 76 LYS C . 27687 1 767 . 1 1 76 76 LYS CA C 13 58.585 0.15 . 1 . . . . . 76 LYS CA . 27687 1 768 . 1 1 76 76 LYS CB C 13 32.584 0.15 . 1 . . . . . 76 LYS CB . 27687 1 769 . 1 1 76 76 LYS CG C 13 25.926 0.20 . 1 . . . . . 76 LYS CG . 27687 1 770 . 1 1 76 76 LYS CD C 13 29.609 0.20 . 1 . . . . . 76 LYS CD . 27687 1 771 . 1 1 76 76 LYS CE C 13 41.808 0.20 . 1 . . . . . 76 LYS CE . 27687 1 772 . 1 1 76 76 LYS N N 15 122.843 0.05 . 1 . . . . . 76 LYS N . 27687 1 773 . 1 1 77 77 GLU H H 1 8.119 0.01 . 1 . . . . . 77 GLU H . 27687 1 774 . 1 1 77 77 GLU HA H 1 3.932 0.05 . 1 . . . . . 77 GLU HA . 27687 1 775 . 1 1 77 77 GLU HB2 H 1 1.985 0.05 . 1 . . . . . 77 GLU HB2 . 27687 1 776 . 1 1 77 77 GLU HB3 H 1 1.985 0.05 . 1 . . . . . 77 GLU HB3 . 27687 1 777 . 1 1 77 77 GLU HG2 H 1 2.229 0.05 . 1 . . . . . 77 GLU HG2 . 27687 1 778 . 1 1 77 77 GLU HG3 H 1 2.229 0.05 . 1 . . . . . 77 GLU HG3 . 27687 1 779 . 1 1 77 77 GLU C C 13 176.779 0.10 . 1 . . . . . 77 GLU C . 27687 1 780 . 1 1 77 77 GLU CA C 13 58.327 0.15 . 1 . . . . . 77 GLU CA . 27687 1 781 . 1 1 77 77 GLU CB C 13 29.562 0.15 . 1 . . . . . 77 GLU CB . 27687 1 782 . 1 1 77 77 GLU CG C 13 36.569 0.20 . 1 . . . . . 77 GLU CG . 27687 1 783 . 1 1 77 77 GLU N N 15 117.890 0.05 . 1 . . . . . 77 GLU N . 27687 1 784 . 1 1 78 78 ASN H H 1 7.370 0.01 . 1 . . . . . 78 ASN H . 27687 1 785 . 1 1 78 78 ASN HA H 1 4.608 0.05 . 1 . . . . . 78 ASN HA . 27687 1 786 . 1 1 78 78 ASN HB2 H 1 2.705 0.05 . 2 . . . . . 78 ASN HB2 . 27687 1 787 . 1 1 78 78 ASN HB3 H 1 2.278 0.05 . 2 . . . . . 78 ASN HB3 . 27687 1 788 . 1 1 78 78 ASN HD21 H 1 6.955 0.05 . 2 . . . . . 78 ASN HD21 . 27687 1 789 . 1 1 78 78 ASN HD22 H 1 8.538 0.05 . 2 . . . . . 78 ASN HD22 . 27687 1 790 . 1 1 78 78 ASN C C 13 173.359 0.10 . 1 . . . . . 78 ASN C . 27687 1 791 . 1 1 78 78 ASN CA C 13 51.982 0.15 . 1 . . . . . 78 ASN CA . 27687 1 792 . 1 1 78 78 ASN CB C 13 39.192 0.15 . 1 . . . . . 78 ASN CB . 27687 1 793 . 1 1 78 78 ASN CG C 13 177.426 0.20 . 1 . . . . . 78 ASN CG . 27687 1 794 . 1 1 78 78 ASN N N 15 113.426 0.05 . 1 . . . . . 78 ASN N . 27687 1 795 . 1 1 78 78 ASN ND2 N 15 117.376 0.05 . 1 . . . . . 78 ASN ND2 . 27687 1 796 . 1 1 79 79 HIS H H 1 6.791 0.01 . 1 . . . . . 79 HIS H . 27687 1 797 . 1 1 79 79 HIS HA H 1 4.265 0.05 . 1 . . . . . 79 HIS HA . 27687 1 798 . 1 1 79 79 HIS HB2 H 1 2.598 0.05 . 2 . . . . . 79 HIS HB2 . 27687 1 799 . 1 1 79 79 HIS HB3 H 1 3.689 0.05 . 2 . . . . . 79 HIS HB3 . 27687 1 800 . 1 1 79 79 HIS C C 13 172.929 0.10 . 1 . . . . . 79 HIS C . 27687 1 801 . 1 1 79 79 HIS CA C 13 57.482 0.15 . 1 . . . . . 79 HIS CA . 27687 1 802 . 1 1 79 79 HIS CB C 13 27.590 0.15 . 1 . . . . . 79 HIS CB . 27687 1 803 . 1 1 79 79 HIS N N 15 115.542 0.05 . 1 . . . . . 79 HIS N . 27687 1 804 . 1 1 80 80 SER H H 1 8.204 0.01 . 1 . . . . . 80 SER H . 27687 1 805 . 1 1 80 80 SER HA H 1 5.852 0.05 . 1 . . . . . 80 SER HA . 27687 1 806 . 1 1 80 80 SER HB2 H 1 3.879 0.05 . 1 . . . . . 80 SER HB2 . 27687 1 807 . 1 1 80 80 SER HB3 H 1 3.879 0.05 . 1 . . . . . 80 SER HB3 . 27687 1 808 . 1 1 80 80 SER C C 13 172.838 0.10 . 1 . . . . . 80 SER C . 27687 1 809 . 1 1 80 80 SER CA C 13 56.475 0.15 . 1 . . . . . 80 SER CA . 27687 1 810 . 1 1 80 80 SER CB C 13 66.675 0.15 . 1 . . . . . 80 SER CB . 27687 1 811 . 1 1 80 80 SER N N 15 111.833 0.05 . 1 . . . . . 80 SER N . 27687 1 812 . 1 1 81 81 TYR H H 1 9.259 0.01 . 1 . . . . . 81 TYR H . 27687 1 813 . 1 1 81 81 TYR HA H 1 5.503 0.05 . 1 . . . . . 81 TYR HA . 27687 1 814 . 1 1 81 81 TYR HB2 H 1 3.409 0.05 . 2 . . . . . 81 TYR HB2 . 27687 1 815 . 1 1 81 81 TYR HB3 H 1 2.960 0.05 . 2 . . . . . 81 TYR HB3 . 27687 1 816 . 1 1 81 81 TYR C C 13 173.701 0.10 . 1 . . . . . 81 TYR C . 27687 1 817 . 1 1 81 81 TYR CA C 13 56.091 0.15 . 1 . . . . . 81 TYR CA . 27687 1 818 . 1 1 81 81 TYR CB C 13 43.212 0.15 . 1 . . . . . 81 TYR CB . 27687 1 819 . 1 1 81 81 TYR N N 15 124.764 0.05 . 1 . . . . . 81 TYR N . 27687 1 820 . 1 1 82 82 SER H H 1 9.235 0.01 . 1 . . . . . 82 SER H . 27687 1 821 . 1 1 82 82 SER HA H 1 5.542 0.05 . 1 . . . . . 82 SER HA . 27687 1 822 . 1 1 82 82 SER HB2 H 1 4.129 0.05 . 1 . . . . . 82 SER HB2 . 27687 1 823 . 1 1 82 82 SER HB3 H 1 4.129 0.05 . 1 . . . . . 82 SER HB3 . 27687 1 824 . 1 1 82 82 SER C C 13 172.432 0.10 . 1 . . . . . 82 SER C . 27687 1 825 . 1 1 82 82 SER CA C 13 56.913 0.15 . 1 . . . . . 82 SER CA . 27687 1 826 . 1 1 82 82 SER CB C 13 65.678 0.15 . 1 . . . . . 82 SER CB . 27687 1 827 . 1 1 82 82 SER N N 15 122.537 0.05 . 1 . . . . . 82 SER N . 27687 1 828 . 1 1 83 83 TYR H H 1 8.618 0.01 . 1 . . . . . 83 TYR H . 27687 1 829 . 1 1 83 83 TYR HA H 1 5.372 0.05 . 1 . . . . . 83 TYR HA . 27687 1 830 . 1 1 83 83 TYR HB2 H 1 2.769 0.05 . 1 . . . . . 83 TYR HB2 . 27687 1 831 . 1 1 83 83 TYR HB3 H 1 2.769 0.05 . 1 . . . . . 83 TYR HB3 . 27687 1 832 . 1 1 83 83 TYR C C 13 172.222 0.10 . 1 . . . . . 83 TYR C . 27687 1 833 . 1 1 83 83 TYR CA C 13 56.744 0.15 . 1 . . . . . 83 TYR CA . 27687 1 834 . 1 1 83 83 TYR CB C 13 40.847 0.15 . 1 . . . . . 83 TYR CB . 27687 1 835 . 1 1 83 83 TYR N N 15 122.022 0.05 . 1 . . . . . 83 TYR N . 27687 1 836 . 1 1 84 84 THR H H 1 9.595 0.01 . 1 . . . . . 84 THR H . 27687 1 837 . 1 1 84 84 THR HA H 1 5.093 0.05 . 1 . . . . . 84 THR HA . 27687 1 838 . 1 1 84 84 THR HB H 1 3.953 0.05 . 1 . . . . . 84 THR HB . 27687 1 839 . 1 1 84 84 THR HG21 H 1 0.992 0.05 . 1 . . . . . 84 THR MG . 27687 1 840 . 1 1 84 84 THR HG22 H 1 0.992 0.05 . 1 . . . . . 84 THR MG . 27687 1 841 . 1 1 84 84 THR HG23 H 1 0.992 0.05 . 1 . . . . . 84 THR MG . 27687 1 842 . 1 1 84 84 THR C C 13 173.497 0.10 . 1 . . . . . 84 THR C . 27687 1 843 . 1 1 84 84 THR CA C 13 61.797 0.15 . 1 . . . . . 84 THR CA . 27687 1 844 . 1 1 84 84 THR CB C 13 71.872 0.15 . 1 . . . . . 84 THR CB . 27687 1 845 . 1 1 84 84 THR CG2 C 13 22.675 0.20 . 1 . . . . . 84 THR CG2 . 27687 1 846 . 1 1 84 84 THR N N 15 116.772 0.05 . 1 . . . . . 84 THR N . 27687 1 847 . 1 1 85 85 LEU H H 1 9.811 0.01 . 1 . . . . . 85 LEU H . 27687 1 848 . 1 1 85 85 LEU HA H 1 5.194 0.05 . 1 . . . . . 85 LEU HA . 27687 1 849 . 1 1 85 85 LEU HB2 H 1 1.784 0.05 . 2 . . . . . 85 LEU HB2 . 27687 1 850 . 1 1 85 85 LEU HB3 H 1 2.186 0.05 . 2 . . . . . 85 LEU HB3 . 27687 1 851 . 1 1 85 85 LEU HG H 1 1.317 0.05 . 1 . . . . . 85 LEU HG . 27687 1 852 . 1 1 85 85 LEU HD11 H 1 1.007 0.05 . 1 . . . . . 85 LEU MD1 . 27687 1 853 . 1 1 85 85 LEU HD12 H 1 1.007 0.05 . 1 . . . . . 85 LEU MD1 . 27687 1 854 . 1 1 85 85 LEU HD13 H 1 1.007 0.05 . 1 . . . . . 85 LEU MD1 . 27687 1 855 . 1 1 85 85 LEU HD21 H 1 1.007 0.05 . 1 . . . . . 85 LEU MD2 . 27687 1 856 . 1 1 85 85 LEU HD22 H 1 1.007 0.05 . 1 . . . . . 85 LEU MD2 . 27687 1 857 . 1 1 85 85 LEU HD23 H 1 1.007 0.05 . 1 . . . . . 85 LEU MD2 . 27687 1 858 . 1 1 85 85 LEU C C 13 175.341 0.10 . 1 . . . . . 85 LEU C . 27687 1 859 . 1 1 85 85 LEU CA C 13 55.841 0.15 . 1 . . . . . 85 LEU CA . 27687 1 860 . 1 1 85 85 LEU CB C 13 43.592 0.15 . 1 . . . . . 85 LEU CB . 27687 1 861 . 1 1 85 85 LEU CG C 13 26.344 0.20 . 1 . . . . . 85 LEU CG . 27687 1 862 . 1 1 85 85 LEU CD1 C 13 25.443 0.20 . 1 . . . . . 85 LEU CD1 . 27687 1 863 . 1 1 85 85 LEU CD2 C 13 25.443 0.20 . 1 . . . . . 85 LEU CD2 . 27687 1 864 . 1 1 85 85 LEU N N 15 130.686 0.05 . 1 . . . . . 85 LEU N . 27687 1 865 . 1 1 86 86 ILE H H 1 8.077 0.01 . 1 . . . . . 86 ILE H . 27687 1 866 . 1 1 86 86 ILE HA H 1 4.802 0.05 . 1 . . . . . 86 ILE HA . 27687 1 867 . 1 1 86 86 ILE HB H 1 2.167 0.05 . 1 . . . . . 86 ILE HB . 27687 1 868 . 1 1 86 86 ILE HG12 H 1 1.388 0.05 . 2 . . . . . 86 ILE HG12 . 27687 1 869 . 1 1 86 86 ILE HG13 H 1 1.006 0.05 . 2 . . . . . 86 ILE HG13 . 27687 1 870 . 1 1 86 86 ILE HG21 H 1 0.972 0.05 . 1 . . . . . 86 ILE MG . 27687 1 871 . 1 1 86 86 ILE HG22 H 1 0.972 0.05 . 1 . . . . . 86 ILE MG . 27687 1 872 . 1 1 86 86 ILE HG23 H 1 0.972 0.05 . 1 . . . . . 86 ILE MG . 27687 1 873 . 1 1 86 86 ILE HD11 H 1 0.516 0.05 . 1 . . . . . 86 ILE MD . 27687 1 874 . 1 1 86 86 ILE HD12 H 1 0.516 0.05 . 1 . . . . . 86 ILE MD . 27687 1 875 . 1 1 86 86 ILE HD13 H 1 0.516 0.05 . 1 . . . . . 86 ILE MD . 27687 1 876 . 1 1 86 86 ILE C C 13 176.164 0.10 . 1 . . . . . 86 ILE C . 27687 1 877 . 1 1 86 86 ILE CA C 13 61.375 0.15 . 1 . . . . . 86 ILE CA . 27687 1 878 . 1 1 86 86 ILE CB C 13 40.188 0.15 . 1 . . . . . 86 ILE CB . 27687 1 879 . 1 1 86 86 ILE CG1 C 13 26.459 0.20 . 1 . . . . . 86 ILE CG1 . 27687 1 880 . 1 1 86 86 ILE CG2 C 13 18.958 0.20 . 1 . . . . . 86 ILE CG2 . 27687 1 881 . 1 1 86 86 ILE CD1 C 13 14.142 0.20 . 1 . . . . . 86 ILE CD1 . 27687 1 882 . 1 1 86 86 ILE N N 15 117.334 0.05 . 1 . . . . . 86 ILE N . 27687 1 883 . 1 1 87 87 GLU H H 1 7.618 0.01 . 1 . . . . . 87 GLU H . 27687 1 884 . 1 1 87 87 GLU HA H 1 4.513 0.05 . 1 . . . . . 87 GLU HA . 27687 1 885 . 1 1 87 87 GLU HB2 H 1 2.273 0.05 . 2 . . . . . 87 GLU HB2 . 27687 1 886 . 1 1 87 87 GLU HB3 H 1 1.853 0.05 . 2 . . . . . 87 GLU HB3 . 27687 1 887 . 1 1 87 87 GLU HG2 H 1 2.497 0.05 . 2 . . . . . 87 GLU HG2 . 27687 1 888 . 1 1 87 87 GLU HG3 H 1 2.254 0.05 . 2 . . . . . 87 GLU HG3 . 27687 1 889 . 1 1 87 87 GLU C C 13 173.895 0.10 . 1 . . . . . 87 GLU C . 27687 1 890 . 1 1 87 87 GLU CA C 13 56.929 0.15 . 1 . . . . . 87 GLU CA . 27687 1 891 . 1 1 87 87 GLU CB C 13 35.075 0.15 . 1 . . . . . 87 GLU CB . 27687 1 892 . 1 1 87 87 GLU CG C 13 37.059 0.20 . 1 . . . . . 87 GLU CG . 27687 1 893 . 1 1 87 87 GLU N N 15 121.355 0.05 . 1 . . . . . 87 GLU N . 27687 1 894 . 1 1 88 88 GLY H H 1 8.860 0.01 . 1 . . . . . 88 GLY H . 27687 1 895 . 1 1 88 88 GLY HA2 H 1 3.702 0.05 . 1 . . . . . 88 GLY HA2 . 27687 1 896 . 1 1 88 88 GLY HA3 H 1 3.702 0.05 . 1 . . . . . 88 GLY HA3 . 27687 1 897 . 1 1 88 88 GLY C C 13 174.181 0.10 . 1 . . . . . 88 GLY C . 27687 1 898 . 1 1 88 88 GLY CA C 13 44.973 0.15 . 1 . . . . . 88 GLY CA . 27687 1 899 . 1 1 88 88 GLY N N 15 111.777 0.05 . 1 . . . . . 88 GLY N . 27687 1 900 . 1 1 89 89 ASP H H 1 8.605 0.01 . 1 . . . . . 89 ASP H . 27687 1 901 . 1 1 89 89 ASP HA H 1 4.396 0.05 . 1 . . . . . 89 ASP HA . 27687 1 902 . 1 1 89 89 ASP HB2 H 1 2.782 0.05 . 2 . . . . . 89 ASP HB2 . 27687 1 903 . 1 1 89 89 ASP HB3 H 1 2.584 0.05 . 2 . . . . . 89 ASP HB3 . 27687 1 904 . 1 1 89 89 ASP C C 13 177.918 0.10 . 1 . . . . . 89 ASP C . 27687 1 905 . 1 1 89 89 ASP CA C 13 57.265 0.15 . 1 . . . . . 89 ASP CA . 27687 1 906 . 1 1 89 89 ASP CB C 13 41.020 0.15 . 1 . . . . . 89 ASP CB . 27687 1 907 . 1 1 89 89 ASP N N 15 120.849 0.05 . 1 . . . . . 89 ASP N . 27687 1 908 . 1 1 90 90 ALA H H 1 8.212 0.01 . 1 . . . . . 90 ALA H . 27687 1 909 . 1 1 90 90 ALA HB1 H 1 1.294 0.05 . 1 . . . . . 90 ALA MB . 27687 1 910 . 1 1 90 90 ALA HB2 H 1 1.294 0.05 . 1 . . . . . 90 ALA MB . 27687 1 911 . 1 1 90 90 ALA HB3 H 1 1.294 0.05 . 1 . . . . . 90 ALA MB . 27687 1 912 . 1 1 90 90 ALA C C 13 178.231 0.10 . 1 . . . . . 90 ALA C . 27687 1 913 . 1 1 90 90 ALA CA C 13 53.651 0.15 . 1 . . . . . 90 ALA CA . 27687 1 914 . 1 1 90 90 ALA CB C 13 19.014 0.15 . 1 . . . . . 90 ALA CB . 27687 1 915 . 1 1 90 90 ALA N N 15 119.897 0.05 . 1 . . . . . 90 ALA N . 27687 1 916 . 1 1 91 91 LEU H H 1 7.643 0.01 . 1 . . . . . 91 LEU H . 27687 1 917 . 1 1 91 91 LEU HA H 1 4.303 0.05 . 1 . . . . . 91 LEU HA . 27687 1 918 . 1 1 91 91 LEU HB2 H 1 1.966 0.05 . 2 . . . . . 91 LEU HB2 . 27687 1 919 . 1 1 91 91 LEU HB3 H 1 1.473 0.05 . 2 . . . . . 91 LEU HB3 . 27687 1 920 . 1 1 91 91 LEU HD11 H 1 0.640 0.05 . 2 . . . . . 91 LEU MD1 . 27687 1 921 . 1 1 91 91 LEU HD12 H 1 0.640 0.05 . 2 . . . . . 91 LEU MD1 . 27687 1 922 . 1 1 91 91 LEU HD13 H 1 0.640 0.05 . 2 . . . . . 91 LEU MD1 . 27687 1 923 . 1 1 91 91 LEU HD21 H 1 0.756 0.05 . 2 . . . . . 91 LEU MD2 . 27687 1 924 . 1 1 91 91 LEU HD22 H 1 0.756 0.05 . 2 . . . . . 91 LEU MD2 . 27687 1 925 . 1 1 91 91 LEU HD23 H 1 0.756 0.05 . 2 . . . . . 91 LEU MD2 . 27687 1 926 . 1 1 91 91 LEU C C 13 177.270 0.10 . 1 . . . . . 91 LEU C . 27687 1 927 . 1 1 91 91 LEU CA C 13 55.563 0.15 . 1 . . . . . 91 LEU CA . 27687 1 928 . 1 1 91 91 LEU CB C 13 40.295 0.15 . 1 . . . . . 91 LEU CB . 27687 1 929 . 1 1 91 91 LEU CG C 13 27.341 0.20 . 1 . . . . . 91 LEU CG . 27687 1 930 . 1 1 91 91 LEU CD1 C 13 23.076 0.20 . 2 . . . . . 91 LEU CD1 . 27687 1 931 . 1 1 91 91 LEU CD2 C 13 25.091 0.20 . 2 . . . . . 91 LEU CD2 . 27687 1 932 . 1 1 91 91 LEU N N 15 115.068 0.05 . 1 . . . . . 91 LEU N . 27687 1 933 . 1 1 92 92 GLY H H 1 7.648 0.01 . 1 . . . . . 92 GLY H . 27687 1 934 . 1 1 92 92 GLY HA2 H 1 3.994 0.05 . 1 . . . . . 92 GLY HA2 . 27687 1 935 . 1 1 92 92 GLY HA3 H 1 3.994 0.05 . 1 . . . . . 92 GLY HA3 . 27687 1 936 . 1 1 92 92 GLY C C 13 174.232 0.10 . 1 . . . . . 92 GLY C . 27687 1 937 . 1 1 92 92 GLY CA C 13 46.215 0.15 . 1 . . . . . 92 GLY CA . 27687 1 938 . 1 1 92 92 GLY N N 15 104.979 0.05 . 1 . . . . . 92 GLY N . 27687 1 939 . 1 1 93 93 ASP H H 1 8.682 0.01 . 1 . . . . . 93 ASP H . 27687 1 940 . 1 1 93 93 ASP HA H 1 4.793 0.05 . 1 . . . . . 93 ASP HA . 27687 1 941 . 1 1 93 93 ASP HB2 H 1 2.712 0.05 . 1 . . . . . 93 ASP HB2 . 27687 1 942 . 1 1 93 93 ASP HB3 H 1 2.712 0.05 . 1 . . . . . 93 ASP HB3 . 27687 1 943 . 1 1 93 93 ASP C C 13 177.185 0.10 . 1 . . . . . 93 ASP C . 27687 1 944 . 1 1 93 93 ASP CA C 13 54.516 0.15 . 1 . . . . . 93 ASP CA . 27687 1 945 . 1 1 93 93 ASP CB C 13 41.481 0.15 . 1 . . . . . 93 ASP CB . 27687 1 946 . 1 1 93 93 ASP N N 15 121.333 0.05 . 1 . . . . . 93 ASP N . 27687 1 947 . 1 1 94 94 ASN H H 1 8.516 0.01 . 1 . . . . . 94 ASN H . 27687 1 948 . 1 1 94 94 ASN HA H 1 4.836 0.05 . 1 . . . . . 94 ASN HA . 27687 1 949 . 1 1 94 94 ASN HB2 H 1 2.932 0.05 . 1 . . . . . 94 ASN HB2 . 27687 1 950 . 1 1 94 94 ASN HB3 H 1 2.932 0.05 . 1 . . . . . 94 ASN HB3 . 27687 1 951 . 1 1 94 94 ASN HD21 H 1 6.884 0.05 . 2 . . . . . 94 ASN HD21 . 27687 1 952 . 1 1 94 94 ASN HD22 H 1 7.507 0.05 . 2 . . . . . 94 ASN HD22 . 27687 1 953 . 1 1 94 94 ASN C C 13 174.621 0.10 . 1 . . . . . 94 ASN C . 27687 1 954 . 1 1 94 94 ASN CA C 13 53.983 0.15 . 1 . . . . . 94 ASN CA . 27687 1 955 . 1 1 94 94 ASN CB C 13 39.927 0.15 . 1 . . . . . 94 ASN CB . 27687 1 956 . 1 1 94 94 ASN CG C 13 177.003 0.20 . 1 . . . . . 94 ASN CG . 27687 1 957 . 1 1 94 94 ASN N N 15 114.419 0.05 . 1 . . . . . 94 ASN N . 27687 1 958 . 1 1 94 94 ASN ND2 N 15 111.715 0.05 . 1 . . . . . 94 ASN ND2 . 27687 1 959 . 1 1 95 95 LEU H H 1 7.777 0.01 . 1 . . . . . 95 LEU H . 27687 1 960 . 1 1 95 95 LEU HA H 1 5.065 0.05 . 1 . . . . . 95 LEU HA . 27687 1 961 . 1 1 95 95 LEU HB2 H 1 2.152 0.05 . 2 . . . . . 95 LEU HB2 . 27687 1 962 . 1 1 95 95 LEU HB3 H 1 1.335 0.05 . 2 . . . . . 95 LEU HB3 . 27687 1 963 . 1 1 95 95 LEU HD11 H 1 1.017 0.05 . 1 . . . . . 95 LEU MD1 . 27687 1 964 . 1 1 95 95 LEU HD12 H 1 1.017 0.05 . 1 . . . . . 95 LEU MD1 . 27687 1 965 . 1 1 95 95 LEU HD13 H 1 1.017 0.05 . 1 . . . . . 95 LEU MD1 . 27687 1 966 . 1 1 95 95 LEU HD21 H 1 1.017 0.05 . 1 . . . . . 95 LEU MD2 . 27687 1 967 . 1 1 95 95 LEU HD22 H 1 1.017 0.05 . 1 . . . . . 95 LEU MD2 . 27687 1 968 . 1 1 95 95 LEU HD23 H 1 1.017 0.05 . 1 . . . . . 95 LEU MD2 . 27687 1 969 . 1 1 95 95 LEU C C 13 175.754 0.10 . 1 . . . . . 95 LEU C . 27687 1 970 . 1 1 95 95 LEU CA C 13 53.975 0.15 . 1 . . . . . 95 LEU CA . 27687 1 971 . 1 1 95 95 LEU CB C 13 44.053 0.15 . 1 . . . . . 95 LEU CB . 27687 1 972 . 1 1 95 95 LEU CG C 13 26.276 0.20 . 1 . . . . . 95 LEU CG . 27687 1 973 . 1 1 95 95 LEU CD1 C 13 25.866 0.20 . 1 . . . . . 95 LEU CD1 . 27687 1 974 . 1 1 95 95 LEU CD2 C 13 25.866 0.20 . 1 . . . . . 95 LEU CD2 . 27687 1 975 . 1 1 95 95 LEU N N 15 118.948 0.05 . 1 . . . . . 95 LEU N . 27687 1 976 . 1 1 96 96 GLU H H 1 9.261 0.01 . 1 . . . . . 96 GLU H . 27687 1 977 . 1 1 96 96 GLU HA H 1 4.231 0.05 . 1 . . . . . 96 GLU HA . 27687 1 978 . 1 1 96 96 GLU HB2 H 1 2.058 0.05 . 1 . . . . . 96 GLU HB2 . 27687 1 979 . 1 1 96 96 GLU HB3 H 1 2.058 0.05 . 1 . . . . . 96 GLU HB3 . 27687 1 980 . 1 1 96 96 GLU HG2 H 1 2.251 0.05 . 1 . . . . . 96 GLU HG2 . 27687 1 981 . 1 1 96 96 GLU HG3 H 1 2.251 0.05 . 1 . . . . . 96 GLU HG3 . 27687 1 982 . 1 1 96 96 GLU C C 13 175.969 0.10 . 1 . . . . . 96 GLU C . 27687 1 983 . 1 1 96 96 GLU CA C 13 57.501 0.15 . 1 . . . . . 96 GLU CA . 27687 1 984 . 1 1 96 96 GLU CB C 13 31.824 0.15 . 1 . . . . . 96 GLU CB . 27687 1 985 . 1 1 96 96 GLU CG C 13 36.081 0.20 . 1 . . . . . 96 GLU CG . 27687 1 986 . 1 1 96 96 GLU N N 15 122.545 0.05 . 1 . . . . . 96 GLU N . 27687 1 987 . 1 1 97 97 LYS H H 1 7.622 0.01 . 1 . . . . . 97 LYS H . 27687 1 988 . 1 1 97 97 LYS HA H 1 4.794 0.05 . 1 . . . . . 97 LYS HA . 27687 1 989 . 1 1 97 97 LYS HB2 H 1 2.249 0.05 . 1 . . . . . 97 LYS HB2 . 27687 1 990 . 1 1 97 97 LYS HB3 H 1 2.249 0.05 . 1 . . . . . 97 LYS HB3 . 27687 1 991 . 1 1 97 97 LYS HG2 H 1 1.233 0.05 . 1 . . . . . 97 LYS HG2 . 27687 1 992 . 1 1 97 97 LYS HG3 H 1 1.233 0.05 . 1 . . . . . 97 LYS HG3 . 27687 1 993 . 1 1 97 97 LYS HD2 H 1 1.607 0.05 . 1 . . . . . 97 LYS HD2 . 27687 1 994 . 1 1 97 97 LYS HD3 H 1 1.607 0.05 . 1 . . . . . 97 LYS HD3 . 27687 1 995 . 1 1 97 97 LYS C C 13 173.995 0.10 . 1 . . . . . 97 LYS C . 27687 1 996 . 1 1 97 97 LYS CA C 13 55.698 0.15 . 1 . . . . . 97 LYS CA . 27687 1 997 . 1 1 97 97 LYS CB C 13 33.555 0.15 . 1 . . . . . 97 LYS CB . 27687 1 998 . 1 1 97 97 LYS CG C 13 23.112 0.20 . 1 . . . . . 97 LYS CG . 27687 1 999 . 1 1 97 97 LYS CD C 13 29.607 0.20 . 1 . . . . . 97 LYS CD . 27687 1 1000 . 1 1 97 97 LYS CE C 13 41.020 0.20 . 1 . . . . . 97 LYS CE . 27687 1 1001 . 1 1 97 97 LYS N N 15 108.873 0.05 . 1 . . . . . 97 LYS N . 27687 1 1002 . 1 1 98 98 ILE H H 1 7.477 0.01 . 1 . . . . . 98 ILE H . 27687 1 1003 . 1 1 98 98 ILE HA H 1 4.882 0.05 . 1 . . . . . 98 ILE HA . 27687 1 1004 . 1 1 98 98 ILE HB H 1 1.403 0.05 . 1 . . . . . 98 ILE HB . 27687 1 1005 . 1 1 98 98 ILE HG12 H 1 1.395 0.05 . 1 . . . . . 98 ILE HG12 . 27687 1 1006 . 1 1 98 98 ILE HG13 H 1 1.395 0.05 . 1 . . . . . 98 ILE HG13 . 27687 1 1007 . 1 1 98 98 ILE HG21 H 1 -0.296 0.05 . 1 . . . . . 98 ILE MG . 27687 1 1008 . 1 1 98 98 ILE HG22 H 1 -0.296 0.05 . 1 . . . . . 98 ILE MG . 27687 1 1009 . 1 1 98 98 ILE HG23 H 1 -0.296 0.05 . 1 . . . . . 98 ILE MG . 27687 1 1010 . 1 1 98 98 ILE HD11 H 1 0.513 0.05 . 1 . . . . . 98 ILE MD . 27687 1 1011 . 1 1 98 98 ILE HD12 H 1 0.513 0.05 . 1 . . . . . 98 ILE MD . 27687 1 1012 . 1 1 98 98 ILE HD13 H 1 0.513 0.05 . 1 . . . . . 98 ILE MD . 27687 1 1013 . 1 1 98 98 ILE C C 13 174.693 0.10 . 1 . . . . . 98 ILE C . 27687 1 1014 . 1 1 98 98 ILE CA C 13 60.839 0.15 . 1 . . . . . 98 ILE CA . 27687 1 1015 . 1 1 98 98 ILE CB C 13 41.896 0.15 . 1 . . . . . 98 ILE CB . 27687 1 1016 . 1 1 98 98 ILE CG1 C 13 27.226 0.20 . 1 . . . . . 98 ILE CG1 . 27687 1 1017 . 1 1 98 98 ILE CG2 C 13 16.312 0.20 . 1 . . . . . 98 ILE CG2 . 27687 1 1018 . 1 1 98 98 ILE CD1 C 13 14.196 0.20 . 1 . . . . . 98 ILE CD1 . 27687 1 1019 . 1 1 98 98 ILE N N 15 117.780 0.05 . 1 . . . . . 98 ILE N . 27687 1 1020 . 1 1 99 99 SER H H 1 9.140 0.01 . 1 . . . . . 99 SER H . 27687 1 1021 . 1 1 99 99 SER HA H 1 5.064 0.05 . 1 . . . . . 99 SER HA . 27687 1 1022 . 1 1 99 99 SER HB2 H 1 4.016 0.05 . 2 . . . . . 99 SER HB2 . 27687 1 1023 . 1 1 99 99 SER HB3 H 1 3.731 0.05 . 2 . . . . . 99 SER HB3 . 27687 1 1024 . 1 1 99 99 SER C C 13 175.655 0.10 . 1 . . . . . 99 SER C . 27687 1 1025 . 1 1 99 99 SER CA C 13 57.671 0.15 . 1 . . . . . 99 SER CA . 27687 1 1026 . 1 1 99 99 SER CB C 13 65.315 0.15 . 1 . . . . . 99 SER CB . 27687 1 1027 . 1 1 99 99 SER N N 15 123.126 0.05 . 1 . . . . . 99 SER N . 27687 1 1028 . 1 1 100 100 TYR H H 1 9.189 0.01 . 1 . . . . . 100 TYR H . 27687 1 1029 . 1 1 100 100 TYR HA H 1 5.265 0.05 . 1 . . . . . 100 TYR HA . 27687 1 1030 . 1 1 100 100 TYR HB2 H 1 2.595 0.05 . 2 . . . . . 100 TYR HB2 . 27687 1 1031 . 1 1 100 100 TYR HB3 H 1 1.609 0.05 . 2 . . . . . 100 TYR HB3 . 27687 1 1032 . 1 1 100 100 TYR C C 13 176.427 0.10 . 1 . . . . . 100 TYR C . 27687 1 1033 . 1 1 100 100 TYR CA C 13 56.962 0.15 . 1 . . . . . 100 TYR CA . 27687 1 1034 . 1 1 100 100 TYR CB C 13 41.403 0.15 . 1 . . . . . 100 TYR CB . 27687 1 1035 . 1 1 100 100 TYR N N 15 122.338 0.05 . 1 . . . . . 100 TYR N . 27687 1 1036 . 1 1 101 101 GLU H H 1 8.969 0.01 . 1 . . . . . 101 GLU H . 27687 1 1037 . 1 1 101 101 GLU HA H 1 5.041 0.05 . 1 . . . . . 101 GLU HA . 27687 1 1038 . 1 1 101 101 GLU HB2 H 1 2.123 0.05 . 1 . . . . . 101 GLU HB2 . 27687 1 1039 . 1 1 101 101 GLU HB3 H 1 2.123 0.05 . 1 . . . . . 101 GLU HB3 . 27687 1 1040 . 1 1 101 101 GLU HG2 H 1 2.176 0.05 . 1 . . . . . 101 GLU HG2 . 27687 1 1041 . 1 1 101 101 GLU HG3 H 1 2.176 0.05 . 1 . . . . . 101 GLU HG3 . 27687 1 1042 . 1 1 101 101 GLU C C 13 171.820 0.10 . 1 . . . . . 101 GLU C . 27687 1 1043 . 1 1 101 101 GLU CA C 13 55.859 0.15 . 1 . . . . . 101 GLU CA . 27687 1 1044 . 1 1 101 101 GLU CB C 13 33.105 0.15 . 1 . . . . . 101 GLU CB . 27687 1 1045 . 1 1 101 101 GLU CG C 13 36.424 0.20 . 1 . . . . . 101 GLU CG . 27687 1 1046 . 1 1 101 101 GLU N N 15 121.438 0.05 . 1 . . . . . 101 GLU N . 27687 1 1047 . 1 1 102 102 THR H H 1 9.213 0.01 . 1 . . . . . 102 THR H . 27687 1 1048 . 1 1 102 102 THR HA H 1 5.536 0.05 . 1 . . . . . 102 THR HA . 27687 1 1049 . 1 1 102 102 THR HB H 1 4.217 0.05 . 1 . . . . . 102 THR HB . 27687 1 1050 . 1 1 102 102 THR HG21 H 1 1.343 0.05 . 1 . . . . . 102 THR MG . 27687 1 1051 . 1 1 102 102 THR HG22 H 1 1.343 0.05 . 1 . . . . . 102 THR MG . 27687 1 1052 . 1 1 102 102 THR HG23 H 1 1.343 0.05 . 1 . . . . . 102 THR MG . 27687 1 1053 . 1 1 102 102 THR C C 13 172.759 0.10 . 1 . . . . . 102 THR C . 27687 1 1054 . 1 1 102 102 THR CA C 13 61.953 0.15 . 1 . . . . . 102 THR CA . 27687 1 1055 . 1 1 102 102 THR CB C 13 71.291 0.15 . 1 . . . . . 102 THR CB . 27687 1 1056 . 1 1 102 102 THR CG2 C 13 22.424 0.20 . 1 . . . . . 102 THR CG2 . 27687 1 1057 . 1 1 102 102 THR N N 15 122.375 0.05 . 1 . . . . . 102 THR N . 27687 1 1058 . 1 1 103 103 LYS H H 1 9.104 0.01 . 1 . . . . . 103 LYS H . 27687 1 1059 . 1 1 103 103 LYS HA H 1 5.307 0.05 . 1 . . . . . 103 LYS HA . 27687 1 1060 . 1 1 103 103 LYS HB2 H 1 1.906 0.05 . 2 . . . . . 103 LYS HB2 . 27687 1 1061 . 1 1 103 103 LYS HB3 H 1 1.541 0.05 . 2 . . . . . 103 LYS HB3 . 27687 1 1062 . 1 1 103 103 LYS HG2 H 1 1.408 0.05 . 1 . . . . . 103 LYS HG2 . 27687 1 1063 . 1 1 103 103 LYS HG3 H 1 1.408 0.05 . 1 . . . . . 103 LYS HG3 . 27687 1 1064 . 1 1 103 103 LYS HD2 H 1 1.677 0.05 . 1 . . . . . 103 LYS HD2 . 27687 1 1065 . 1 1 103 103 LYS HD3 H 1 1.677 0.05 . 1 . . . . . 103 LYS HD3 . 27687 1 1066 . 1 1 103 103 LYS HE2 H 1 2.933 0.05 . 1 . . . . . 103 LYS HE2 . 27687 1 1067 . 1 1 103 103 LYS HE3 H 1 2.933 0.05 . 1 . . . . . 103 LYS HE3 . 27687 1 1068 . 1 1 103 103 LYS C C 13 174.296 0.10 . 1 . . . . . 103 LYS C . 27687 1 1069 . 1 1 103 103 LYS CA C 13 55.224 0.15 . 1 . . . . . 103 LYS CA . 27687 1 1070 . 1 1 103 103 LYS CB C 13 36.205 0.15 . 1 . . . . . 103 LYS CB . 27687 1 1071 . 1 1 103 103 LYS CG C 13 24.909 0.20 . 1 . . . . . 103 LYS CG . 27687 1 1072 . 1 1 103 103 LYS CD C 13 29.306 0.20 . 1 . . . . . 103 LYS CD . 27687 1 1073 . 1 1 103 103 LYS CE C 13 42.230 0.20 . 1 . . . . . 103 LYS CE . 27687 1 1074 . 1 1 103 103 LYS N N 15 126.620 0.05 . 1 . . . . . 103 LYS N . 27687 1 1075 . 1 1 104 104 LEU H H 1 8.438 0.01 . 1 . . . . . 104 LEU H . 27687 1 1076 . 1 1 104 104 LEU HA H 1 5.435 0.05 . 1 . . . . . 104 LEU HA . 27687 1 1077 . 1 1 104 104 LEU HB2 H 1 2.124 0.05 . 2 . . . . . 104 LEU HB2 . 27687 1 1078 . 1 1 104 104 LEU HB3 H 1 1.342 0.05 . 2 . . . . . 104 LEU HB3 . 27687 1 1079 . 1 1 104 104 LEU HG H 1 1.173 0.05 . 1 . . . . . 104 LEU HG . 27687 1 1080 . 1 1 104 104 LEU HD11 H 1 0.944 0.05 . 2 . . . . . 104 LEU MD1 . 27687 1 1081 . 1 1 104 104 LEU HD12 H 1 0.944 0.05 . 2 . . . . . 104 LEU MD1 . 27687 1 1082 . 1 1 104 104 LEU HD13 H 1 0.944 0.05 . 2 . . . . . 104 LEU MD1 . 27687 1 1083 . 1 1 104 104 LEU HD21 H 1 0.926 0.05 . 2 . . . . . 104 LEU MD2 . 27687 1 1084 . 1 1 104 104 LEU HD22 H 1 0.926 0.05 . 2 . . . . . 104 LEU MD2 . 27687 1 1085 . 1 1 104 104 LEU HD23 H 1 0.926 0.05 . 2 . . . . . 104 LEU MD2 . 27687 1 1086 . 1 1 104 104 LEU C C 13 175.885 0.10 . 1 . . . . . 104 LEU C . 27687 1 1087 . 1 1 104 104 LEU CA C 13 54.319 0.15 . 1 . . . . . 104 LEU CA . 27687 1 1088 . 1 1 104 104 LEU CB C 13 43.309 0.15 . 1 . . . . . 104 LEU CB . 27687 1 1089 . 1 1 104 104 LEU CG C 13 26.509 0.20 . 1 . . . . . 104 LEU CG . 27687 1 1090 . 1 1 104 104 LEU CD1 C 13 22.909 0.20 . 2 . . . . . 104 LEU CD1 . 27687 1 1091 . 1 1 104 104 LEU CD2 C 13 25.444 0.20 . 2 . . . . . 104 LEU CD2 . 27687 1 1092 . 1 1 104 104 LEU N N 15 123.465 0.05 . 1 . . . . . 104 LEU N . 27687 1 1093 . 1 1 105 105 VAL H H 1 9.013 0.01 . 1 . . . . . 105 VAL H . 27687 1 1094 . 1 1 105 105 VAL HA H 1 4.450 0.05 . 1 . . . . . 105 VAL HA . 27687 1 1095 . 1 1 105 105 VAL HB H 1 2.117 0.05 . 1 . . . . . 105 VAL HB . 27687 1 1096 . 1 1 105 105 VAL HG11 H 1 0.955 0.05 . 1 . . . . . 105 VAL MG1 . 27687 1 1097 . 1 1 105 105 VAL HG12 H 1 0.955 0.05 . 1 . . . . . 105 VAL MG1 . 27687 1 1098 . 1 1 105 105 VAL HG13 H 1 0.955 0.05 . 1 . . . . . 105 VAL MG1 . 27687 1 1099 . 1 1 105 105 VAL HG21 H 1 0.955 0.05 . 1 . . . . . 105 VAL MG2 . 27687 1 1100 . 1 1 105 105 VAL HG22 H 1 0.955 0.05 . 1 . . . . . 105 VAL MG2 . 27687 1 1101 . 1 1 105 105 VAL HG23 H 1 0.955 0.05 . 1 . . . . . 105 VAL MG2 . 27687 1 1102 . 1 1 105 105 VAL C C 13 174.930 0.10 . 1 . . . . . 105 VAL C . 27687 1 1103 . 1 1 105 105 VAL CA C 13 60.087 0.15 . 1 . . . . . 105 VAL CA . 27687 1 1104 . 1 1 105 105 VAL CB C 13 35.289 0.15 . 1 . . . . . 105 VAL CB . 27687 1 1105 . 1 1 105 105 VAL CG1 C 13 20.949 0.20 . 1 . . . . . 105 VAL CG1 . 27687 1 1106 . 1 1 105 105 VAL CG2 C 13 20.949 0.20 . 1 . . . . . 105 VAL CG2 . 27687 1 1107 . 1 1 105 105 VAL N N 15 120.853 0.05 . 1 . . . . . 105 VAL N . 27687 1 1108 . 1 1 106 106 ALA H H 1 8.833 0.01 . 1 . . . . . 106 ALA H . 27687 1 1109 . 1 1 106 106 ALA HA H 1 4.686 0.05 . 1 . . . . . 106 ALA HA . 27687 1 1110 . 1 1 106 106 ALA HB1 H 1 1.468 0.05 . 1 . . . . . 106 ALA MB . 27687 1 1111 . 1 1 106 106 ALA HB2 H 1 1.468 0.05 . 1 . . . . . 106 ALA MB . 27687 1 1112 . 1 1 106 106 ALA HB3 H 1 1.468 0.05 . 1 . . . . . 106 ALA MB . 27687 1 1113 . 1 1 106 106 ALA C C 13 177.636 0.10 . 1 . . . . . 106 ALA C . 27687 1 1114 . 1 1 106 106 ALA CA C 13 52.936 0.15 . 1 . . . . . 106 ALA CA . 27687 1 1115 . 1 1 106 106 ALA CB C 13 18.543 0.15 . 1 . . . . . 106 ALA CB . 27687 1 1116 . 1 1 106 106 ALA N N 15 127.670 0.05 . 1 . . . . . 106 ALA N . 27687 1 1117 . 1 1 107 107 SER H H 1 8.206 0.01 . 1 . . . . . 107 SER H . 27687 1 1118 . 1 1 107 107 SER HA H 1 4.866 0.05 . 1 . . . . . 107 SER HA . 27687 1 1119 . 1 1 107 107 SER HB2 H 1 3.466 0.05 . 2 . . . . . 107 SER HB2 . 27687 1 1120 . 1 1 107 107 SER HB3 H 1 4.213 0.05 . 2 . . . . . 107 SER HB3 . 27687 1 1121 . 1 1 107 107 SER C C 13 174.720 0.10 . 1 . . . . . 107 SER C . 27687 1 1122 . 1 1 107 107 SER CA C 13 54.225 0.15 . 1 . . . . . 107 SER CA . 27687 1 1123 . 1 1 107 107 SER CB C 13 64.210 0.15 . 1 . . . . . 107 SER CB . 27687 1 1124 . 1 1 107 107 SER N N 15 119.755 0.05 . 1 . . . . . 107 SER N . 27687 1 1125 . 1 1 109 109 SER HA H 1 4.542 0.05 . 1 . . . . . 109 SER HA . 27687 1 1126 . 1 1 109 109 SER HB2 H 1 4.132 0.05 . 2 . . . . . 109 SER HB2 . 27687 1 1127 . 1 1 109 109 SER HB3 H 1 3.782 0.05 . 2 . . . . . 109 SER HB3 . 27687 1 1128 . 1 1 109 109 SER C C 13 174.953 0.10 . 1 . . . . . 109 SER C . 27687 1 1129 . 1 1 109 109 SER CA C 13 57.900 0.15 . 1 . . . . . 109 SER CA . 27687 1 1130 . 1 1 109 109 SER CB C 13 63.374 0.15 . 1 . . . . . 109 SER CB . 27687 1 1131 . 1 1 110 110 GLY H H 1 7.872 0.01 . 1 . . . . . 110 GLY H . 27687 1 1132 . 1 1 110 110 GLY HA2 H 1 4.452 0.05 . 2 . . . . . 110 GLY HA2 . 27687 1 1133 . 1 1 110 110 GLY HA3 H 1 3.800 0.05 . 2 . . . . . 110 GLY HA3 . 27687 1 1134 . 1 1 110 110 GLY C C 13 174.133 0.10 . 1 . . . . . 110 GLY C . 27687 1 1135 . 1 1 110 110 GLY CA C 13 45.440 0.15 . 1 . . . . . 110 GLY CA . 27687 1 1136 . 1 1 110 110 GLY N N 15 109.963 0.05 . 1 . . . . . 110 GLY N . 27687 1 1137 . 1 1 111 111 GLY H H 1 7.373 0.01 . 1 . . . . . 111 GLY H . 27687 1 1138 . 1 1 111 111 GLY HA2 H 1 3.899 0.05 . 1 . . . . . 111 GLY HA2 . 27687 1 1139 . 1 1 111 111 GLY HA3 H 1 3.899 0.05 . 1 . . . . . 111 GLY HA3 . 27687 1 1140 . 1 1 111 111 GLY C C 13 174.808 0.10 . 1 . . . . . 111 GLY C . 27687 1 1141 . 1 1 111 111 GLY CA C 13 44.033 0.15 . 1 . . . . . 111 GLY CA . 27687 1 1142 . 1 1 111 111 GLY N N 15 108.222 0.05 . 1 . . . . . 111 GLY N . 27687 1 1143 . 1 1 112 112 SER H H 1 8.763 0.01 . 1 . . . . . 112 SER H . 27687 1 1144 . 1 1 112 112 SER HA H 1 5.479 0.05 . 1 . . . . . 112 SER HA . 27687 1 1145 . 1 1 112 112 SER HB2 H 1 3.405 0.05 . 1 . . . . . 112 SER HB2 . 27687 1 1146 . 1 1 112 112 SER HB3 H 1 3.405 0.05 . 1 . . . . . 112 SER HB3 . 27687 1 1147 . 1 1 112 112 SER C C 13 173.507 0.10 . 1 . . . . . 112 SER C . 27687 1 1148 . 1 1 112 112 SER CA C 13 58.982 0.15 . 1 . . . . . 112 SER CA . 27687 1 1149 . 1 1 112 112 SER CB C 13 67.236 0.15 . 1 . . . . . 112 SER CB . 27687 1 1150 . 1 1 112 112 SER N N 15 119.171 0.05 . 1 . . . . . 112 SER N . 27687 1 1151 . 1 1 113 113 ILE H H 1 9.586 0.01 . 1 . . . . . 113 ILE H . 27687 1 1152 . 1 1 113 113 ILE HA H 1 4.334 0.05 . 1 . . . . . 113 ILE HA . 27687 1 1153 . 1 1 113 113 ILE HB H 1 1.669 0.05 . 1 . . . . . 113 ILE HB . 27687 1 1154 . 1 1 113 113 ILE HG12 H 1 1.366 0.05 . 2 . . . . . 113 ILE HG12 . 27687 1 1155 . 1 1 113 113 ILE HG13 H 1 1.055 0.05 . 2 . . . . . 113 ILE HG13 . 27687 1 1156 . 1 1 113 113 ILE HG21 H 1 0.746 0.05 . 1 . . . . . 113 ILE MG . 27687 1 1157 . 1 1 113 113 ILE HG22 H 1 0.746 0.05 . 1 . . . . . 113 ILE MG . 27687 1 1158 . 1 1 113 113 ILE HG23 H 1 0.746 0.05 . 1 . . . . . 113 ILE MG . 27687 1 1159 . 1 1 113 113 ILE HD11 H 1 0.746 0.05 . 1 . . . . . 113 ILE MD . 27687 1 1160 . 1 1 113 113 ILE HD12 H 1 0.746 0.05 . 1 . . . . . 113 ILE MD . 27687 1 1161 . 1 1 113 113 ILE HD13 H 1 0.746 0.05 . 1 . . . . . 113 ILE MD . 27687 1 1162 . 1 1 113 113 ILE C C 13 174.890 0.10 . 1 . . . . . 113 ILE C . 27687 1 1163 . 1 1 113 113 ILE CA C 13 61.202 0.15 . 1 . . . . . 113 ILE CA . 27687 1 1164 . 1 1 113 113 ILE CB C 13 39.122 0.15 . 1 . . . . . 113 ILE CB . 27687 1 1165 . 1 1 113 113 ILE CG1 C 13 27.694 0.20 . 1 . . . . . 113 ILE CG1 . 27687 1 1166 . 1 1 113 113 ILE CG2 C 13 17.722 0.20 . 1 . . . . . 113 ILE CG2 . 27687 1 1167 . 1 1 113 113 ILE CD1 C 13 13.011 0.20 . 1 . . . . . 113 ILE CD1 . 27687 1 1168 . 1 1 113 113 ILE N N 15 125.490 0.05 . 1 . . . . . 113 ILE N . 27687 1 1169 . 1 1 114 114 ILE H H 1 9.113 0.01 . 1 . . . . . 114 ILE H . 27687 1 1170 . 1 1 114 114 ILE HA H 1 4.404 0.05 . 1 . . . . . 114 ILE HA . 27687 1 1171 . 1 1 114 114 ILE HB H 1 1.219 0.05 . 1 . . . . . 114 ILE HB . 27687 1 1172 . 1 1 114 114 ILE HG12 H 1 1.041 0.05 . 2 . . . . . 114 ILE HG12 . 27687 1 1173 . 1 1 114 114 ILE HG13 H 1 0.465 0.05 . 2 . . . . . 114 ILE HG13 . 27687 1 1174 . 1 1 114 114 ILE HG21 H 1 0.417 0.05 . 1 . . . . . 114 ILE MG . 27687 1 1175 . 1 1 114 114 ILE HG22 H 1 0.417 0.05 . 1 . . . . . 114 ILE MG . 27687 1 1176 . 1 1 114 114 ILE HG23 H 1 0.417 0.05 . 1 . . . . . 114 ILE MG . 27687 1 1177 . 1 1 114 114 ILE HD11 H 1 0.083 0.05 . 1 . . . . . 114 ILE MD . 27687 1 1178 . 1 1 114 114 ILE HD12 H 1 0.083 0.05 . 1 . . . . . 114 ILE MD . 27687 1 1179 . 1 1 114 114 ILE HD13 H 1 0.083 0.05 . 1 . . . . . 114 ILE MD . 27687 1 1180 . 1 1 114 114 ILE C C 13 174.838 0.10 . 1 . . . . . 114 ILE C . 27687 1 1181 . 1 1 114 114 ILE CA C 13 61.166 0.15 . 1 . . . . . 114 ILE CA . 27687 1 1182 . 1 1 114 114 ILE CB C 13 38.613 0.15 . 1 . . . . . 114 ILE CB . 27687 1 1183 . 1 1 114 114 ILE CG1 C 13 28.213 0.20 . 1 . . . . . 114 ILE CG1 . 27687 1 1184 . 1 1 114 114 ILE CG2 C 13 19.235 0.20 . 1 . . . . . 114 ILE CG2 . 27687 1 1185 . 1 1 114 114 ILE CD1 C 13 15.032 0.20 . 1 . . . . . 114 ILE CD1 . 27687 1 1186 . 1 1 114 114 ILE N N 15 127.995 0.05 . 1 . . . . . 114 ILE N . 27687 1 1187 . 1 1 115 115 LYS H H 1 9.054 0.01 . 1 . . . . . 115 LYS H . 27687 1 1188 . 1 1 115 115 LYS HA H 1 4.894 0.05 . 1 . . . . . 115 LYS HA . 27687 1 1189 . 1 1 115 115 LYS HB2 H 1 1.887 0.05 . 1 . . . . . 115 LYS HB2 . 27687 1 1190 . 1 1 115 115 LYS HB3 H 1 1.887 0.05 . 1 . . . . . 115 LYS HB3 . 27687 1 1191 . 1 1 115 115 LYS HG2 H 1 1.394 0.05 . 1 . . . . . 115 LYS HG2 . 27687 1 1192 . 1 1 115 115 LYS HG3 H 1 1.394 0.05 . 1 . . . . . 115 LYS HG3 . 27687 1 1193 . 1 1 115 115 LYS HD2 H 1 1.602 0.05 . 1 . . . . . 115 LYS HD2 . 27687 1 1194 . 1 1 115 115 LYS HD3 H 1 1.602 0.05 . 1 . . . . . 115 LYS HD3 . 27687 1 1195 . 1 1 115 115 LYS HE2 H 1 2.854 0.05 . 1 . . . . . 115 LYS HE2 . 27687 1 1196 . 1 1 115 115 LYS HE3 H 1 2.854 0.05 . 1 . . . . . 115 LYS HE3 . 27687 1 1197 . 1 1 115 115 LYS C C 13 175.970 0.10 . 1 . . . . . 115 LYS C . 27687 1 1198 . 1 1 115 115 LYS CA C 13 55.255 0.15 . 1 . . . . . 115 LYS CA . 27687 1 1199 . 1 1 115 115 LYS CB C 13 33.166 0.15 . 1 . . . . . 115 LYS CB . 27687 1 1200 . 1 1 115 115 LYS CG C 13 24.886 0.20 . 1 . . . . . 115 LYS CG . 27687 1 1201 . 1 1 115 115 LYS CD C 13 29.195 0.20 . 1 . . . . . 115 LYS CD . 27687 1 1202 . 1 1 115 115 LYS CE C 13 41.855 0.20 . 1 . . . . . 115 LYS CE . 27687 1 1203 . 1 1 115 115 LYS N N 15 127.149 0.05 . 1 . . . . . 115 LYS N . 27687 1 1204 . 1 1 116 116 SER H H 1 8.809 0.01 . 1 . . . . . 116 SER H . 27687 1 1205 . 1 1 116 116 SER HA H 1 5.599 0.05 . 1 . . . . . 116 SER HA . 27687 1 1206 . 1 1 116 116 SER HB2 H 1 3.915 0.05 . 2 . . . . . 116 SER HB2 . 27687 1 1207 . 1 1 116 116 SER HB3 H 1 3.690 0.05 . 2 . . . . . 116 SER HB3 . 27687 1 1208 . 1 1 116 116 SER C C 13 173.773 0.10 . 1 . . . . . 116 SER C . 27687 1 1209 . 1 1 116 116 SER CA C 13 56.815 0.15 . 1 . . . . . 116 SER CA . 27687 1 1210 . 1 1 116 116 SER CB C 13 64.842 0.15 . 1 . . . . . 116 SER CB . 27687 1 1211 . 1 1 116 116 SER N N 15 121.097 0.05 . 1 . . . . . 116 SER N . 27687 1 1212 . 1 1 117 117 THR H H 1 9.482 0.01 . 1 . . . . . 117 THR H . 27687 1 1213 . 1 1 117 117 THR HA H 1 5.037 0.05 . 1 . . . . . 117 THR HA . 27687 1 1214 . 1 1 117 117 THR HB H 1 3.904 0.05 . 1 . . . . . 117 THR HB . 27687 1 1215 . 1 1 117 117 THR HG21 H 1 0.797 0.05 . 1 . . . . . 117 THR MG . 27687 1 1216 . 1 1 117 117 THR HG22 H 1 0.797 0.05 . 1 . . . . . 117 THR MG . 27687 1 1217 . 1 1 117 117 THR HG23 H 1 0.797 0.05 . 1 . . . . . 117 THR MG . 27687 1 1218 . 1 1 117 117 THR C C 13 173.442 0.10 . 1 . . . . . 117 THR C . 27687 1 1219 . 1 1 117 117 THR CA C 13 62.134 0.15 . 1 . . . . . 117 THR CA . 27687 1 1220 . 1 1 117 117 THR CB C 13 70.281 0.15 . 1 . . . . . 117 THR CB . 27687 1 1221 . 1 1 117 117 THR CG2 C 13 22.751 0.20 . 1 . . . . . 117 THR CG2 . 27687 1 1222 . 1 1 117 117 THR N N 15 126.312 0.05 . 1 . . . . . 117 THR N . 27687 1 1223 . 1 1 118 118 SER H H 1 9.028 0.01 . 1 . . . . . 118 SER H . 27687 1 1224 . 1 1 118 118 SER HA H 1 5.093 0.05 . 1 . . . . . 118 SER HA . 27687 1 1225 . 1 1 118 118 SER HB2 H 1 3.584 0.05 . 1 . . . . . 118 SER HB2 . 27687 1 1226 . 1 1 118 118 SER HB3 H 1 3.584 0.05 . 1 . . . . . 118 SER HB3 . 27687 1 1227 . 1 1 118 118 SER C C 13 172.357 0.10 . 1 . . . . . 118 SER C . 27687 1 1228 . 1 1 118 118 SER CA C 13 55.947 0.15 . 1 . . . . . 118 SER CA . 27687 1 1229 . 1 1 118 118 SER CB C 13 66.137 0.15 . 1 . . . . . 118 SER CB . 27687 1 1230 . 1 1 118 118 SER N N 15 121.093 0.05 . 1 . . . . . 118 SER N . 27687 1 1231 . 1 1 119 119 HIS H H 1 9.370 0.01 . 1 . . . . . 119 HIS H . 27687 1 1232 . 1 1 119 119 HIS HA H 1 5.332 0.05 . 1 . . . . . 119 HIS HA . 27687 1 1233 . 1 1 119 119 HIS HB2 H 1 3.250 0.05 . 2 . . . . . 119 HIS HB2 . 27687 1 1234 . 1 1 119 119 HIS HB3 H 1 2.411 0.05 . 2 . . . . . 119 HIS HB3 . 27687 1 1235 . 1 1 119 119 HIS C C 13 174.361 0.10 . 1 . . . . . 119 HIS C . 27687 1 1236 . 1 1 119 119 HIS CA C 13 53.849 0.15 . 1 . . . . . 119 HIS CA . 27687 1 1237 . 1 1 119 119 HIS CB C 13 31.694 0.15 . 1 . . . . . 119 HIS CB . 27687 1 1238 . 1 1 119 119 HIS N N 15 122.233 0.05 . 1 . . . . . 119 HIS N . 27687 1 1239 . 1 1 120 120 TYR H H 1 10.113 0.01 . 1 . . . . . 120 TYR H . 27687 1 1240 . 1 1 120 120 TYR HA H 1 4.527 0.05 . 1 . . . . . 120 TYR HA . 27687 1 1241 . 1 1 120 120 TYR HB2 H 1 3.558 0.05 . 2 . . . . . 120 TYR HB2 . 27687 1 1242 . 1 1 120 120 TYR HB3 H 1 2.740 0.05 . 2 . . . . . 120 TYR HB3 . 27687 1 1243 . 1 1 120 120 TYR C C 13 174.932 0.10 . 1 . . . . . 120 TYR C . 27687 1 1244 . 1 1 120 120 TYR CA C 13 58.344 0.15 . 1 . . . . . 120 TYR CA . 27687 1 1245 . 1 1 120 120 TYR CB C 13 39.795 0.15 . 1 . . . . . 120 TYR CB . 27687 1 1246 . 1 1 120 120 TYR N N 15 126.321 0.05 . 1 . . . . . 120 TYR N . 27687 1 1247 . 1 1 121 121 HIS H H 1 8.297 0.01 . 1 . . . . . 121 HIS H . 27687 1 1248 . 1 1 121 121 HIS HA H 1 5.365 0.05 . 1 . . . . . 121 HIS HA . 27687 1 1249 . 1 1 121 121 HIS HB2 H 1 3.232 0.05 . 1 . . . . . 121 HIS HB2 . 27687 1 1250 . 1 1 121 121 HIS HB3 H 1 3.232 0.05 . 1 . . . . . 121 HIS HB3 . 27687 1 1251 . 1 1 121 121 HIS C C 13 175.933 0.10 . 1 . . . . . 121 HIS C . 27687 1 1252 . 1 1 121 121 HIS CA C 13 55.309 0.15 . 1 . . . . . 121 HIS CA . 27687 1 1253 . 1 1 121 121 HIS CB C 13 31.064 0.15 . 1 . . . . . 121 HIS CB . 27687 1 1254 . 1 1 121 121 HIS N N 15 123.954 0.05 . 1 . . . . . 121 HIS N . 27687 1 1255 . 1 1 122 122 THR H H 1 9.324 0.01 . 1 . . . . . 122 THR H . 27687 1 1256 . 1 1 122 122 THR HA H 1 5.040 0.05 . 1 . . . . . 122 THR HA . 27687 1 1257 . 1 1 122 122 THR HB H 1 4.451 0.05 . 1 . . . . . 122 THR HB . 27687 1 1258 . 1 1 122 122 THR HG21 H 1 1.286 0.05 . 1 . . . . . 122 THR MG . 27687 1 1259 . 1 1 122 122 THR HG22 H 1 1.286 0.05 . 1 . . . . . 122 THR MG . 27687 1 1260 . 1 1 122 122 THR HG23 H 1 1.286 0.05 . 1 . . . . . 122 THR MG . 27687 1 1261 . 1 1 122 122 THR C C 13 175.080 0.10 . 1 . . . . . 122 THR C . 27687 1 1262 . 1 1 122 122 THR CA C 13 60.546 0.15 . 1 . . . . . 122 THR CA . 27687 1 1263 . 1 1 122 122 THR CB C 13 70.504 0.15 . 1 . . . . . 122 THR CB . 27687 1 1264 . 1 1 122 122 THR CG2 C 13 22.820 0.20 . 1 . . . . . 122 THR CG2 . 27687 1 1265 . 1 1 122 122 THR N N 15 115.935 0.05 . 1 . . . . . 122 THR N . 27687 1 1266 . 1 1 123 123 LYS H H 1 8.312 0.01 . 1 . . . . . 123 LYS H . 27687 1 1267 . 1 1 123 123 LYS HA H 1 4.505 0.05 . 1 . . . . . 123 LYS HA . 27687 1 1268 . 1 1 123 123 LYS HB2 H 1 1.630 0.05 . 1 . . . . . 123 LYS HB2 . 27687 1 1269 . 1 1 123 123 LYS HB3 H 1 1.630 0.05 . 1 . . . . . 123 LYS HB3 . 27687 1 1270 . 1 1 123 123 LYS HG2 H 1 1.368 0.05 . 1 . . . . . 123 LYS HG2 . 27687 1 1271 . 1 1 123 123 LYS HG3 H 1 1.368 0.05 . 1 . . . . . 123 LYS HG3 . 27687 1 1272 . 1 1 123 123 LYS HD2 H 1 1.633 0.05 . 1 . . . . . 123 LYS HD2 . 27687 1 1273 . 1 1 123 123 LYS HD3 H 1 1.633 0.05 . 1 . . . . . 123 LYS HD3 . 27687 1 1274 . 1 1 123 123 LYS HE2 H 1 2.848 0.05 . 1 . . . . . 123 LYS HE2 . 27687 1 1275 . 1 1 123 123 LYS HE3 H 1 2.848 0.05 . 1 . . . . . 123 LYS HE3 . 27687 1 1276 . 1 1 123 123 LYS C C 13 176.573 0.10 . 1 . . . . . 123 LYS C . 27687 1 1277 . 1 1 123 123 LYS CA C 13 56.124 0.15 . 1 . . . . . 123 LYS CA . 27687 1 1278 . 1 1 123 123 LYS CB C 13 33.042 0.15 . 1 . . . . . 123 LYS CB . 27687 1 1279 . 1 1 123 123 LYS CG C 13 25.499 0.20 . 1 . . . . . 123 LYS CG . 27687 1 1280 . 1 1 123 123 LYS CD C 13 29.333 0.20 . 1 . . . . . 123 LYS CD . 27687 1 1281 . 1 1 123 123 LYS CE C 13 42.009 0.20 . 1 . . . . . 123 LYS CE . 27687 1 1282 . 1 1 123 123 LYS N N 15 121.280 0.05 . 1 . . . . . 123 LYS N . 27687 1 1283 . 1 1 124 124 GLY H H 1 8.405 0.01 . 1 . . . . . 124 GLY H . 27687 1 1284 . 1 1 124 124 GLY HA2 H 1 3.971 0.05 . 1 . . . . . 124 GLY HA2 . 27687 1 1285 . 1 1 124 124 GLY HA3 H 1 3.971 0.05 . 1 . . . . . 124 GLY HA3 . 27687 1 1286 . 1 1 124 124 GLY C C 13 174.322 0.10 . 1 . . . . . 124 GLY C . 27687 1 1287 . 1 1 124 124 GLY CA C 13 45.750 0.15 . 1 . . . . . 124 GLY CA . 27687 1 1288 . 1 1 124 124 GLY N N 15 110.864 0.05 . 1 . . . . . 124 GLY N . 27687 1 1289 . 1 1 125 125 ASP H H 1 8.670 0.01 . 1 . . . . . 125 ASP H . 27687 1 1290 . 1 1 125 125 ASP HA H 1 4.788 0.05 . 1 . . . . . 125 ASP HA . 27687 1 1291 . 1 1 125 125 ASP HB2 H 1 2.803 0.05 . 2 . . . . . 125 ASP HB2 . 27687 1 1292 . 1 1 125 125 ASP HB3 H 1 2.611 0.05 . 2 . . . . . 125 ASP HB3 . 27687 1 1293 . 1 1 125 125 ASP C C 13 175.804 0.10 . 1 . . . . . 125 ASP C . 27687 1 1294 . 1 1 125 125 ASP CA C 13 54.044 0.15 . 1 . . . . . 125 ASP CA . 27687 1 1295 . 1 1 125 125 ASP CB C 13 40.535 0.15 . 1 . . . . . 125 ASP CB . 27687 1 1296 . 1 1 125 125 ASP N N 15 122.741 0.05 . 1 . . . . . 125 ASP N . 27687 1 1297 . 1 1 126 126 VAL H H 1 7.542 0.01 . 1 . . . . . 126 VAL H . 27687 1 1298 . 1 1 126 126 VAL HA H 1 4.139 0.05 . 1 . . . . . 126 VAL HA . 27687 1 1299 . 1 1 126 126 VAL HB H 1 2.116 0.05 . 1 . . . . . 126 VAL HB . 27687 1 1300 . 1 1 126 126 VAL HG11 H 1 0.975 0.05 . 1 . . . . . 126 VAL MG1 . 27687 1 1301 . 1 1 126 126 VAL HG12 H 1 0.975 0.05 . 1 . . . . . 126 VAL MG1 . 27687 1 1302 . 1 1 126 126 VAL HG13 H 1 0.975 0.05 . 1 . . . . . 126 VAL MG1 . 27687 1 1303 . 1 1 126 126 VAL HG21 H 1 0.975 0.05 . 1 . . . . . 126 VAL MG2 . 27687 1 1304 . 1 1 126 126 VAL HG22 H 1 0.975 0.05 . 1 . . . . . 126 VAL MG2 . 27687 1 1305 . 1 1 126 126 VAL HG23 H 1 0.975 0.05 . 1 . . . . . 126 VAL MG2 . 27687 1 1306 . 1 1 126 126 VAL C C 13 175.312 0.10 . 1 . . . . . 126 VAL C . 27687 1 1307 . 1 1 126 126 VAL CA C 13 62.053 0.15 . 1 . . . . . 126 VAL CA . 27687 1 1308 . 1 1 126 126 VAL CB C 13 33.687 0.15 . 1 . . . . . 126 VAL CB . 27687 1 1309 . 1 1 126 126 VAL CG1 C 13 21.160 0.20 . 1 . . . . . 126 VAL CG1 . 27687 1 1310 . 1 1 126 126 VAL CG2 C 13 21.160 0.20 . 1 . . . . . 126 VAL CG2 . 27687 1 1311 . 1 1 126 126 VAL N N 15 119.657 0.05 . 1 . . . . . 126 VAL N . 27687 1 1312 . 1 1 127 127 GLU H H 1 8.399 0.01 . 1 . . . . . 127 GLU H . 27687 1 1313 . 1 1 127 127 GLU HA H 1 4.078 0.05 . 1 . . . . . 127 GLU HA . 27687 1 1314 . 1 1 127 127 GLU HB2 H 1 2.167 0.05 . 1 . . . . . 127 GLU HB2 . 27687 1 1315 . 1 1 127 127 GLU HB3 H 1 2.167 0.05 . 1 . . . . . 127 GLU HB3 . 27687 1 1316 . 1 1 127 127 GLU HG2 H 1 1.821 0.05 . 1 . . . . . 127 GLU HG2 . 27687 1 1317 . 1 1 127 127 GLU HG3 H 1 1.821 0.05 . 1 . . . . . 127 GLU HG3 . 27687 1 1318 . 1 1 127 127 GLU C C 13 175.760 0.10 . 1 . . . . . 127 GLU C . 27687 1 1319 . 1 1 127 127 GLU CA C 13 55.445 0.15 . 1 . . . . . 127 GLU CA . 27687 1 1320 . 1 1 127 127 GLU CB C 13 31.065 0.15 . 1 . . . . . 127 GLU CB . 27687 1 1321 . 1 1 127 127 GLU CG C 13 36.089 0.20 . 1 . . . . . 127 GLU CG . 27687 1 1322 . 1 1 127 127 GLU N N 15 125.044 0.05 . 1 . . . . . 127 GLU N . 27687 1 1323 . 1 1 128 128 ILE H H 1 6.734 0.01 . 1 . . . . . 128 ILE H . 27687 1 1324 . 1 1 128 128 ILE HA H 1 4.019 0.05 . 1 . . . . . 128 ILE HA . 27687 1 1325 . 1 1 128 128 ILE HB H 1 1.298 0.05 . 1 . . . . . 128 ILE HB . 27687 1 1326 . 1 1 128 128 ILE HG12 H 1 0.960 0.05 . 1 . . . . . 128 ILE HG12 . 27687 1 1327 . 1 1 128 128 ILE HG13 H 1 0.960 0.05 . 1 . . . . . 128 ILE HG13 . 27687 1 1328 . 1 1 128 128 ILE HG21 H 1 0.385 0.05 . 1 . . . . . 128 ILE MG . 27687 1 1329 . 1 1 128 128 ILE HG22 H 1 0.385 0.05 . 1 . . . . . 128 ILE MG . 27687 1 1330 . 1 1 128 128 ILE HG23 H 1 0.385 0.05 . 1 . . . . . 128 ILE MG . 27687 1 1331 . 1 1 128 128 ILE HD11 H 1 0.507 0.05 . 1 . . . . . 128 ILE MD . 27687 1 1332 . 1 1 128 128 ILE HD12 H 1 0.507 0.05 . 1 . . . . . 128 ILE MD . 27687 1 1333 . 1 1 128 128 ILE HD13 H 1 0.507 0.05 . 1 . . . . . 128 ILE MD . 27687 1 1334 . 1 1 128 128 ILE C C 13 175.258 0.10 . 1 . . . . . 128 ILE C . 27687 1 1335 . 1 1 128 128 ILE CA C 13 58.513 0.15 . 1 . . . . . 128 ILE CA . 27687 1 1336 . 1 1 128 128 ILE CB C 13 37.855 0.15 . 1 . . . . . 128 ILE CB . 27687 1 1337 . 1 1 128 128 ILE CG1 C 13 26.999 0.20 . 1 . . . . . 128 ILE CG1 . 27687 1 1338 . 1 1 128 128 ILE CG2 C 13 17.330 0.20 . 1 . . . . . 128 ILE CG2 . 27687 1 1339 . 1 1 128 128 ILE CD1 C 13 12.129 0.20 . 1 . . . . . 128 ILE CD1 . 27687 1 1340 . 1 1 128 128 ILE N N 15 121.883 0.05 . 1 . . . . . 128 ILE N . 27687 1 1341 . 1 1 129 129 LYS H H 1 8.721 0.01 . 1 . . . . . 129 LYS H . 27687 1 1342 . 1 1 129 129 LYS HA H 1 4.297 0.05 . 1 . . . . . 129 LYS HA . 27687 1 1343 . 1 1 129 129 LYS HB2 H 1 1.885 0.05 . 2 . . . . . 129 LYS HB2 . 27687 1 1344 . 1 1 129 129 LYS HB3 H 1 1.467 0.05 . 2 . . . . . 129 LYS HB3 . 27687 1 1345 . 1 1 129 129 LYS HG2 H 1 1.407 0.05 . 1 . . . . . 129 LYS HG2 . 27687 1 1346 . 1 1 129 129 LYS HG3 H 1 1.407 0.05 . 1 . . . . . 129 LYS HG3 . 27687 1 1347 . 1 1 129 129 LYS HD2 H 1 1.573 0.05 . 1 . . . . . 129 LYS HD2 . 27687 1 1348 . 1 1 129 129 LYS HD3 H 1 1.573 0.05 . 1 . . . . . 129 LYS HD3 . 27687 1 1349 . 1 1 129 129 LYS HE2 H 1 2.927 0.05 . 1 . . . . . 129 LYS HE2 . 27687 1 1350 . 1 1 129 129 LYS HE3 H 1 2.927 0.05 . 1 . . . . . 129 LYS HE3 . 27687 1 1351 . 1 1 129 129 LYS C C 13 177.515 0.10 . 1 . . . . . 129 LYS C . 27687 1 1352 . 1 1 129 129 LYS CA C 13 55.528 0.15 . 1 . . . . . 129 LYS CA . 27687 1 1353 . 1 1 129 129 LYS CB C 13 32.890 0.15 . 1 . . . . . 129 LYS CB . 27687 1 1354 . 1 1 129 129 LYS CG C 13 24.903 0.20 . 1 . . . . . 129 LYS CG . 27687 1 1355 . 1 1 129 129 LYS CD C 13 28.744 0.20 . 1 . . . . . 129 LYS CD . 27687 1 1356 . 1 1 129 129 LYS CE C 13 42.012 0.20 . 1 . . . . . 129 LYS CE . 27687 1 1357 . 1 1 129 129 LYS N N 15 127.022 0.05 . 1 . . . . . 129 LYS N . 27687 1 1358 . 1 1 130 130 GLU H H 1 8.837 0.01 . 1 . . . . . 130 GLU H . 27687 1 1359 . 1 1 130 130 GLU HA H 1 3.686 0.05 . 1 . . . . . 130 GLU HA . 27687 1 1360 . 1 1 130 130 GLU HB2 H 1 2.129 0.05 . 1 . . . . . 130 GLU HB2 . 27687 1 1361 . 1 1 130 130 GLU HB3 H 1 2.129 0.05 . 1 . . . . . 130 GLU HB3 . 27687 1 1362 . 1 1 130 130 GLU HG2 H 1 2.254 0.05 . 1 . . . . . 130 GLU HG2 . 27687 1 1363 . 1 1 130 130 GLU HG3 H 1 2.254 0.05 . 1 . . . . . 130 GLU HG3 . 27687 1 1364 . 1 1 130 130 GLU C C 13 178.498 0.10 . 1 . . . . . 130 GLU C . 27687 1 1365 . 1 1 130 130 GLU CA C 13 59.539 0.15 . 1 . . . . . 130 GLU CA . 27687 1 1366 . 1 1 130 130 GLU CB C 13 29.414 0.15 . 1 . . . . . 130 GLU CB . 27687 1 1367 . 1 1 130 130 GLU CG C 13 36.165 0.20 . 1 . . . . . 130 GLU CG . 27687 1 1368 . 1 1 130 130 GLU N N 15 125.082 0.05 . 1 . . . . . 130 GLU N . 27687 1 1369 . 1 1 131 131 GLU H H 1 9.194 0.01 . 1 . . . . . 131 GLU H . 27687 1 1370 . 1 1 131 131 GLU HA H 1 3.962 0.05 . 1 . . . . . 131 GLU HA . 27687 1 1371 . 1 1 131 131 GLU HB2 H 1 1.914 0.05 . 1 . . . . . 131 GLU HB2 . 27687 1 1372 . 1 1 131 131 GLU HB3 H 1 1.914 0.05 . 1 . . . . . 131 GLU HB3 . 27687 1 1373 . 1 1 131 131 GLU HG2 H 1 2.123 0.05 . 1 . . . . . 131 GLU HG2 . 27687 1 1374 . 1 1 131 131 GLU HG3 H 1 2.123 0.05 . 1 . . . . . 131 GLU HG3 . 27687 1 1375 . 1 1 131 131 GLU C C 13 178.607 0.10 . 1 . . . . . 131 GLU C . 27687 1 1376 . 1 1 131 131 GLU CA C 13 59.462 0.15 . 1 . . . . . 131 GLU CA . 27687 1 1377 . 1 1 131 131 GLU CB C 13 28.997 0.15 . 1 . . . . . 131 GLU CB . 27687 1 1378 . 1 1 131 131 GLU CG C 13 35.875 0.20 . 1 . . . . . 131 GLU CG . 27687 1 1379 . 1 1 131 131 GLU N N 15 117.256 0.05 . 1 . . . . . 131 GLU N . 27687 1 1380 . 1 1 132 132 HIS H H 1 7.466 0.01 . 1 . . . . . 132 HIS H . 27687 1 1381 . 1 1 132 132 HIS HA H 1 4.456 0.05 . 1 . . . . . 132 HIS HA . 27687 1 1382 . 1 1 132 132 HIS HB2 H 1 3.180 0.05 . 1 . . . . . 132 HIS HB2 . 27687 1 1383 . 1 1 132 132 HIS HB3 H 1 3.180 0.05 . 1 . . . . . 132 HIS HB3 . 27687 1 1384 . 1 1 132 132 HIS C C 13 178.352 0.10 . 1 . . . . . 132 HIS C . 27687 1 1385 . 1 1 132 132 HIS CA C 13 58.752 0.15 . 1 . . . . . 132 HIS CA . 27687 1 1386 . 1 1 132 132 HIS CB C 13 31.472 0.15 . 1 . . . . . 132 HIS CB . 27687 1 1387 . 1 1 132 132 HIS N N 15 119.531 0.05 . 1 . . . . . 132 HIS N . 27687 1 1388 . 1 1 133 133 VAL H H 1 7.162 0.01 . 1 . . . . . 133 VAL H . 27687 1 1389 . 1 1 133 133 VAL HA H 1 3.652 0.05 . 1 . . . . . 133 VAL HA . 27687 1 1390 . 1 1 133 133 VAL HB H 1 1.849 0.05 . 1 . . . . . 133 VAL HB . 27687 1 1391 . 1 1 133 133 VAL HG11 H 1 0.123 0.05 . 2 . . . . . 133 VAL MG1 . 27687 1 1392 . 1 1 133 133 VAL HG12 H 1 0.123 0.05 . 2 . . . . . 133 VAL MG1 . 27687 1 1393 . 1 1 133 133 VAL HG13 H 1 0.123 0.05 . 2 . . . . . 133 VAL MG1 . 27687 1 1394 . 1 1 133 133 VAL HG21 H 1 0.288 0.05 . 2 . . . . . 133 VAL MG2 . 27687 1 1395 . 1 1 133 133 VAL HG22 H 1 0.288 0.05 . 2 . . . . . 133 VAL MG2 . 27687 1 1396 . 1 1 133 133 VAL HG23 H 1 0.288 0.05 . 2 . . . . . 133 VAL MG2 . 27687 1 1397 . 1 1 133 133 VAL C C 13 179.036 0.10 . 1 . . . . . 133 VAL C . 27687 1 1398 . 1 1 133 133 VAL CA C 13 64.765 0.15 . 1 . . . . . 133 VAL CA . 27687 1 1399 . 1 1 133 133 VAL CB C 13 31.652 0.15 . 1 . . . . . 133 VAL CB . 27687 1 1400 . 1 1 133 133 VAL CG1 C 13 20.489 0.20 . 2 . . . . . 133 VAL CG1 . 27687 1 1401 . 1 1 133 133 VAL CG2 C 13 20.438 0.20 . 2 . . . . . 133 VAL CG2 . 27687 1 1402 . 1 1 133 133 VAL N N 15 119.984 0.05 . 1 . . . . . 133 VAL N . 27687 1 1403 . 1 1 134 134 LYS H H 1 8.161 0.01 . 1 . . . . . 134 LYS H . 27687 1 1404 . 1 1 134 134 LYS HA H 1 3.927 0.05 . 1 . . . . . 134 LYS HA . 27687 1 1405 . 1 1 134 134 LYS HB2 H 1 2.013 0.05 . 1 . . . . . 134 LYS HB2 . 27687 1 1406 . 1 1 134 134 LYS HB3 H 1 2.013 0.05 . 1 . . . . . 134 LYS HB3 . 27687 1 1407 . 1 1 134 134 LYS HG2 H 1 1.397 0.05 . 1 . . . . . 134 LYS HG2 . 27687 1 1408 . 1 1 134 134 LYS HG3 H 1 1.397 0.05 . 1 . . . . . 134 LYS HG3 . 27687 1 1409 . 1 1 134 134 LYS HD2 H 1 1.654 0.05 . 1 . . . . . 134 LYS HD2 . 27687 1 1410 . 1 1 134 134 LYS HD3 H 1 1.654 0.05 . 1 . . . . . 134 LYS HD3 . 27687 1 1411 . 1 1 134 134 LYS HE2 H 1 2.951 0.05 . 1 . . . . . 134 LYS HE2 . 27687 1 1412 . 1 1 134 134 LYS HE3 H 1 2.951 0.05 . 1 . . . . . 134 LYS HE3 . 27687 1 1413 . 1 1 134 134 LYS C C 13 178.721 0.10 . 1 . . . . . 134 LYS C . 27687 1 1414 . 1 1 134 134 LYS CA C 13 59.780 0.15 . 1 . . . . . 134 LYS CA . 27687 1 1415 . 1 1 134 134 LYS CB C 13 32.493 0.15 . 1 . . . . . 134 LYS CB . 27687 1 1416 . 1 1 134 134 LYS CG C 13 25.041 0.20 . 1 . . . . . 134 LYS CG . 27687 1 1417 . 1 1 134 134 LYS CD C 13 29.107 0.20 . 1 . . . . . 134 LYS CD . 27687 1 1418 . 1 1 134 134 LYS CE C 13 41.963 0.20 . 1 . . . . . 134 LYS CE . 27687 1 1419 . 1 1 134 134 LYS N N 15 121.104 0.05 . 1 . . . . . 134 LYS N . 27687 1 1420 . 1 1 135 135 ALA H H 1 7.986 0.01 . 1 . . . . . 135 ALA H . 27687 1 1421 . 1 1 135 135 ALA HA H 1 4.273 0.05 . 1 . . . . . 135 ALA HA . 27687 1 1422 . 1 1 135 135 ALA HB1 H 1 1.497 0.05 . 1 . . . . . 135 ALA MB . 27687 1 1423 . 1 1 135 135 ALA HB2 H 1 1.497 0.05 . 1 . . . . . 135 ALA MB . 27687 1 1424 . 1 1 135 135 ALA HB3 H 1 1.497 0.05 . 1 . . . . . 135 ALA MB . 27687 1 1425 . 1 1 135 135 ALA C C 13 180.900 0.10 . 1 . . . . . 135 ALA C . 27687 1 1426 . 1 1 135 135 ALA CA C 13 55.054 0.15 . 1 . . . . . 135 ALA CA . 27687 1 1427 . 1 1 135 135 ALA CB C 13 18.002 0.15 . 1 . . . . . 135 ALA CB . 27687 1 1428 . 1 1 135 135 ALA N N 15 121.335 0.05 . 1 . . . . . 135 ALA N . 27687 1 1429 . 1 1 136 136 GLY H H 1 7.982 0.01 . 1 . . . . . 136 GLY H . 27687 1 1430 . 1 1 136 136 GLY HA2 H 1 3.939 0.05 . 1 . . . . . 136 GLY HA2 . 27687 1 1431 . 1 1 136 136 GLY HA3 H 1 3.939 0.05 . 1 . . . . . 136 GLY HA3 . 27687 1 1432 . 1 1 136 136 GLY C C 13 176.917 0.10 . 1 . . . . . 136 GLY C . 27687 1 1433 . 1 1 136 136 GLY CA C 13 47.205 0.15 . 1 . . . . . 136 GLY CA . 27687 1 1434 . 1 1 136 136 GLY N N 15 106.069 0.05 . 1 . . . . . 136 GLY N . 27687 1 1435 . 1 1 137 137 LYS H H 1 7.990 0.01 . 1 . . . . . 137 LYS H . 27687 1 1436 . 1 1 137 137 LYS HA H 1 4.332 0.05 . 1 . . . . . 137 LYS HA . 27687 1 1437 . 1 1 137 137 LYS HB2 H 1 2.068 0.05 . 1 . . . . . 137 LYS HB2 . 27687 1 1438 . 1 1 137 137 LYS HB3 H 1 2.068 0.05 . 1 . . . . . 137 LYS HB3 . 27687 1 1439 . 1 1 137 137 LYS HG2 H 1 1.497 0.05 . 1 . . . . . 137 LYS HG2 . 27687 1 1440 . 1 1 137 137 LYS HG3 H 1 1.497 0.05 . 1 . . . . . 137 LYS HG3 . 27687 1 1441 . 1 1 137 137 LYS HD2 H 1 1.712 0.05 . 1 . . . . . 137 LYS HD2 . 27687 1 1442 . 1 1 137 137 LYS HD3 H 1 1.712 0.05 . 1 . . . . . 137 LYS HD3 . 27687 1 1443 . 1 1 137 137 LYS HE2 H 1 2.921 0.05 . 1 . . . . . 137 LYS HE2 . 27687 1 1444 . 1 1 137 137 LYS HE3 H 1 2.921 0.05 . 1 . . . . . 137 LYS HE3 . 27687 1 1445 . 1 1 137 137 LYS C C 13 178.881 0.10 . 1 . . . . . 137 LYS C . 27687 1 1446 . 1 1 137 137 LYS CA C 13 59.635 0.15 . 1 . . . . . 137 LYS CA . 27687 1 1447 . 1 1 137 137 LYS CB C 13 32.839 0.15 . 1 . . . . . 137 LYS CB . 27687 1 1448 . 1 1 137 137 LYS CG C 13 25.392 0.20 . 1 . . . . . 137 LYS CG . 27687 1 1449 . 1 1 137 137 LYS CD C 13 29.816 0.20 . 1 . . . . . 137 LYS CD . 27687 1 1450 . 1 1 137 137 LYS CE C 13 41.789 0.20 . 1 . . . . . 137 LYS CE . 27687 1 1451 . 1 1 137 137 LYS N N 15 124.229 0.05 . 1 . . . . . 137 LYS N . 27687 1 1452 . 1 1 138 138 GLU H H 1 8.238 0.01 . 1 . . . . . 138 GLU H . 27687 1 1453 . 1 1 138 138 GLU HA H 1 4.110 0.05 . 1 . . . . . 138 GLU HA . 27687 1 1454 . 1 1 138 138 GLU HB2 H 1 2.135 0.05 . 1 . . . . . 138 GLU HB2 . 27687 1 1455 . 1 1 138 138 GLU HB3 H 1 2.135 0.05 . 1 . . . . . 138 GLU HB3 . 27687 1 1456 . 1 1 138 138 GLU HG2 H 1 2.347 0.05 . 1 . . . . . 138 GLU HG2 . 27687 1 1457 . 1 1 138 138 GLU HG3 H 1 2.347 0.05 . 1 . . . . . 138 GLU HG3 . 27687 1 1458 . 1 1 138 138 GLU C C 13 178.909 0.10 . 1 . . . . . 138 GLU C . 27687 1 1459 . 1 1 138 138 GLU CA C 13 59.230 0.15 . 1 . . . . . 138 GLU CA . 27687 1 1460 . 1 1 138 138 GLU CB C 13 29.483 0.15 . 1 . . . . . 138 GLU CB . 27687 1 1461 . 1 1 138 138 GLU CG C 13 36.131 0.20 . 1 . . . . . 138 GLU CG . 27687 1 1462 . 1 1 138 138 GLU N N 15 120.484 0.05 . 1 . . . . . 138 GLU N . 27687 1 1463 . 1 1 139 139 LYS H H 1 8.019 0.01 . 1 . . . . . 139 LYS H . 27687 1 1464 . 1 1 139 139 LYS HA H 1 4.030 0.05 . 1 . . . . . 139 LYS HA . 27687 1 1465 . 1 1 139 139 LYS HB2 H 1 1.843 0.05 . 1 . . . . . 139 LYS HB2 . 27687 1 1466 . 1 1 139 139 LYS HB3 H 1 1.843 0.05 . 1 . . . . . 139 LYS HB3 . 27687 1 1467 . 1 1 139 139 LYS HG2 H 1 1.422 0.05 . 1 . . . . . 139 LYS HG2 . 27687 1 1468 . 1 1 139 139 LYS HG3 H 1 1.422 0.05 . 1 . . . . . 139 LYS HG3 . 27687 1 1469 . 1 1 139 139 LYS HD2 H 1 1.639 0.05 . 1 . . . . . 139 LYS HD2 . 27687 1 1470 . 1 1 139 139 LYS HD3 H 1 1.639 0.05 . 1 . . . . . 139 LYS HD3 . 27687 1 1471 . 1 1 139 139 LYS HE2 H 1 2.830 0.05 . 1 . . . . . 139 LYS HE2 . 27687 1 1472 . 1 1 139 139 LYS HE3 H 1 2.830 0.05 . 1 . . . . . 139 LYS HE3 . 27687 1 1473 . 1 1 139 139 LYS C C 13 179.504 0.10 . 1 . . . . . 139 LYS C . 27687 1 1474 . 1 1 139 139 LYS CA C 13 59.447 0.15 . 1 . . . . . 139 LYS CA . 27687 1 1475 . 1 1 139 139 LYS CB C 13 32.436 0.15 . 1 . . . . . 139 LYS CB . 27687 1 1476 . 1 1 139 139 LYS CG C 13 25.372 0.20 . 1 . . . . . 139 LYS CG . 27687 1 1477 . 1 1 139 139 LYS CD C 13 29.126 0.20 . 1 . . . . . 139 LYS CD . 27687 1 1478 . 1 1 139 139 LYS CE C 13 41.940 0.20 . 1 . . . . . 139 LYS CE . 27687 1 1479 . 1 1 139 139 LYS N N 15 119.208 0.05 . 1 . . . . . 139 LYS N . 27687 1 1480 . 1 1 140 140 ALA H H 1 7.733 0.01 . 1 . . . . . 140 ALA H . 27687 1 1481 . 1 1 140 140 ALA HA H 1 4.001 0.05 . 1 . . . . . 140 ALA HA . 27687 1 1482 . 1 1 140 140 ALA HB1 H 1 1.459 0.05 . 1 . . . . . 140 ALA MB . 27687 1 1483 . 1 1 140 140 ALA HB2 H 1 1.459 0.05 . 1 . . . . . 140 ALA MB . 27687 1 1484 . 1 1 140 140 ALA HB3 H 1 1.459 0.05 . 1 . . . . . 140 ALA MB . 27687 1 1485 . 1 1 140 140 ALA C C 13 179.361 0.10 . 1 . . . . . 140 ALA C . 27687 1 1486 . 1 1 140 140 ALA CA C 13 54.951 0.15 . 1 . . . . . 140 ALA CA . 27687 1 1487 . 1 1 140 140 ALA CB C 13 18.169 0.15 . 1 . . . . . 140 ALA CB . 27687 1 1488 . 1 1 140 140 ALA N N 15 121.805 0.05 . 1 . . . . . 140 ALA N . 27687 1 1489 . 1 1 141 141 SER H H 1 8.343 0.01 . 1 . . . . . 141 SER H . 27687 1 1490 . 1 1 141 141 SER HA H 1 3.833 0.05 . 1 . . . . . 141 SER HA . 27687 1 1491 . 1 1 141 141 SER HB2 H 1 3.874 0.05 . 1 . . . . . 141 SER HB2 . 27687 1 1492 . 1 1 141 141 SER HB3 H 1 3.874 0.05 . 1 . . . . . 141 SER HB3 . 27687 1 1493 . 1 1 141 141 SER C C 13 177.259 0.10 . 1 . . . . . 141 SER C . 27687 1 1494 . 1 1 141 141 SER CA C 13 60.949 0.15 . 1 . . . . . 141 SER CA . 27687 1 1495 . 1 1 141 141 SER CB C 13 62.956 0.15 . 1 . . . . . 141 SER CB . 27687 1 1496 . 1 1 141 141 SER N N 15 113.415 0.05 . 1 . . . . . 141 SER N . 27687 1 1497 . 1 1 142 142 ASN H H 1 8.270 0.01 . 1 . . . . . 142 ASN H . 27687 1 1498 . 1 1 142 142 ASN HA H 1 4.432 0.05 . 1 . . . . . 142 ASN HA . 27687 1 1499 . 1 1 142 142 ASN HB2 H 1 2.850 0.05 . 1 . . . . . 142 ASN HB2 . 27687 1 1500 . 1 1 142 142 ASN HB3 H 1 2.850 0.05 . 1 . . . . . 142 ASN HB3 . 27687 1 1501 . 1 1 142 142 ASN HD21 H 1 7.028 0.05 . 2 . . . . . 142 ASN HD21 . 27687 1 1502 . 1 1 142 142 ASN HD22 H 1 7.648 0.05 . 2 . . . . . 142 ASN HD22 . 27687 1 1503 . 1 1 142 142 ASN C C 13 177.469 0.10 . 1 . . . . . 142 ASN C . 27687 1 1504 . 1 1 142 142 ASN CA C 13 56.190 0.15 . 1 . . . . . 142 ASN CA . 27687 1 1505 . 1 1 142 142 ASN CB C 13 38.446 0.15 . 1 . . . . . 142 ASN CB . 27687 1 1506 . 1 1 142 142 ASN CG C 13 175.889 0.20 . 1 . . . . . 142 ASN CG . 27687 1 1507 . 1 1 142 142 ASN N N 15 118.885 0.05 . 1 . . . . . 142 ASN N . 27687 1 1508 . 1 1 142 142 ASN ND2 N 15 112.571 0.05 . 1 . . . . . 142 ASN ND2 . 27687 1 1509 . 1 1 143 143 LEU H H 1 7.703 0.01 . 1 . . . . . 143 LEU H . 27687 1 1510 . 1 1 143 143 LEU HA H 1 4.072 0.05 . 1 . . . . . 143 LEU HA . 27687 1 1511 . 1 1 143 143 LEU HB2 H 1 1.572 0.05 . 1 . . . . . 143 LEU HB2 . 27687 1 1512 . 1 1 143 143 LEU HB3 H 1 1.572 0.05 . 1 . . . . . 143 LEU HB3 . 27687 1 1513 . 1 1 143 143 LEU HG H 1 1.572 0.05 . 1 . . . . . 143 LEU HG . 27687 1 1514 . 1 1 143 143 LEU HD11 H 1 0.830 0.05 . 1 . . . . . 143 LEU MD1 . 27687 1 1515 . 1 1 143 143 LEU HD12 H 1 0.830 0.05 . 1 . . . . . 143 LEU MD1 . 27687 1 1516 . 1 1 143 143 LEU HD13 H 1 0.830 0.05 . 1 . . . . . 143 LEU MD1 . 27687 1 1517 . 1 1 143 143 LEU HD21 H 1 0.830 0.05 . 1 . . . . . 143 LEU MD2 . 27687 1 1518 . 1 1 143 143 LEU HD22 H 1 0.830 0.05 . 1 . . . . . 143 LEU MD2 . 27687 1 1519 . 1 1 143 143 LEU HD23 H 1 0.830 0.05 . 1 . . . . . 143 LEU MD2 . 27687 1 1520 . 1 1 143 143 LEU C C 13 178.611 0.10 . 1 . . . . . 143 LEU C . 27687 1 1521 . 1 1 143 143 LEU CA C 13 57.992 0.15 . 1 . . . . . 143 LEU CA . 27687 1 1522 . 1 1 143 143 LEU CB C 13 40.758 0.15 . 1 . . . . . 143 LEU CB . 27687 1 1523 . 1 1 143 143 LEU CG C 13 25.085 0.20 . 1 . . . . . 143 LEU CG . 27687 1 1524 . 1 1 143 143 LEU CD1 C 13 23.742 0.20 . 1 . . . . . 143 LEU CD1 . 27687 1 1525 . 1 1 143 143 LEU CD2 C 13 23.742 0.20 . 1 . . . . . 143 LEU CD2 . 27687 1 1526 . 1 1 143 143 LEU N N 15 121.073 0.05 . 1 . . . . . 143 LEU N . 27687 1 1527 . 1 1 144 144 PHE H H 1 8.041 0.01 . 1 . . . . . 144 PHE H . 27687 1 1528 . 1 1 144 144 PHE HA H 1 3.969 0.05 . 1 . . . . . 144 PHE HA . 27687 1 1529 . 1 1 144 144 PHE HB2 H 1 2.837 0.05 . 1 . . . . . 144 PHE HB2 . 27687 1 1530 . 1 1 144 144 PHE HB3 H 1 2.837 0.05 . 1 . . . . . 144 PHE HB3 . 27687 1 1531 . 1 1 144 144 PHE C C 13 178.286 0.10 . 1 . . . . . 144 PHE C . 27687 1 1532 . 1 1 144 144 PHE CA C 13 62.250 0.15 . 1 . . . . . 144 PHE CA . 27687 1 1533 . 1 1 144 144 PHE CB C 13 37.735 0.15 . 1 . . . . . 144 PHE CB . 27687 1 1534 . 1 1 144 144 PHE N N 15 117.268 0.05 . 1 . . . . . 144 PHE N . 27687 1 1535 . 1 1 145 145 LYS H H 1 8.151 0.01 . 1 . . . . . 145 LYS H . 27687 1 1536 . 1 1 145 145 LYS HA H 1 4.124 0.05 . 1 . . . . . 145 LYS HA . 27687 1 1537 . 1 1 145 145 LYS HB2 H 1 2.008 0.05 . 1 . . . . . 145 LYS HB2 . 27687 1 1538 . 1 1 145 145 LYS HB3 H 1 2.008 0.05 . 1 . . . . . 145 LYS HB3 . 27687 1 1539 . 1 1 145 145 LYS HG2 H 1 1.421 0.05 . 1 . . . . . 145 LYS HG2 . 27687 1 1540 . 1 1 145 145 LYS HG3 H 1 1.421 0.05 . 1 . . . . . 145 LYS HG3 . 27687 1 1541 . 1 1 145 145 LYS HD2 H 1 1.680 0.05 . 1 . . . . . 145 LYS HD2 . 27687 1 1542 . 1 1 145 145 LYS HD3 H 1 1.680 0.05 . 1 . . . . . 145 LYS HD3 . 27687 1 1543 . 1 1 145 145 LYS HE2 H 1 2.931 0.05 . 1 . . . . . 145 LYS HE2 . 27687 1 1544 . 1 1 145 145 LYS HE3 H 1 2.931 0.05 . 1 . . . . . 145 LYS HE3 . 27687 1 1545 . 1 1 145 145 LYS C C 13 179.316 0.10 . 1 . . . . . 145 LYS C . 27687 1 1546 . 1 1 145 145 LYS CA C 13 59.334 0.15 . 1 . . . . . 145 LYS CA . 27687 1 1547 . 1 1 145 145 LYS CB C 13 31.971 0.15 . 1 . . . . . 145 LYS CB . 27687 1 1548 . 1 1 145 145 LYS CG C 13 25.041 0.20 . 1 . . . . . 145 LYS CG . 27687 1 1549 . 1 1 145 145 LYS CD C 13 29.107 0.20 . 1 . . . . . 145 LYS CD . 27687 1 1550 . 1 1 145 145 LYS CE C 13 41.963 0.20 . 1 . . . . . 145 LYS CE . 27687 1 1551 . 1 1 145 145 LYS N N 15 120.041 0.05 . 1 . . . . . 145 LYS N . 27687 1 1552 . 1 1 146 146 LEU H H 1 8.009 0.01 . 1 . . . . . 146 LEU H . 27687 1 1553 . 1 1 146 146 LEU HA H 1 4.182 0.05 . 1 . . . . . 146 LEU HA . 27687 1 1554 . 1 1 146 146 LEU HB2 H 1 1.490 0.05 . 2 . . . . . 146 LEU HB2 . 27687 1 1555 . 1 1 146 146 LEU HB3 H 1 2.065 0.05 . 2 . . . . . 146 LEU HB3 . 27687 1 1556 . 1 1 146 146 LEU HG H 1 1.386 0.05 . 1 . . . . . 146 LEU HG . 27687 1 1557 . 1 1 146 146 LEU HD11 H 1 0.936 0.05 . 2 . . . . . 146 LEU MD1 . 27687 1 1558 . 1 1 146 146 LEU HD12 H 1 0.936 0.05 . 2 . . . . . 146 LEU MD1 . 27687 1 1559 . 1 1 146 146 LEU HD13 H 1 0.936 0.05 . 2 . . . . . 146 LEU MD1 . 27687 1 1560 . 1 1 146 146 LEU HD21 H 1 0.929 0.05 . 2 . . . . . 146 LEU MD2 . 27687 1 1561 . 1 1 146 146 LEU HD22 H 1 0.929 0.05 . 2 . . . . . 146 LEU MD2 . 27687 1 1562 . 1 1 146 146 LEU HD23 H 1 0.929 0.05 . 2 . . . . . 146 LEU MD2 . 27687 1 1563 . 1 1 146 146 LEU C C 13 180.569 0.10 . 1 . . . . . 146 LEU C . 27687 1 1564 . 1 1 146 146 LEU CA C 13 58.492 0.15 . 1 . . . . . 146 LEU CA . 27687 1 1565 . 1 1 146 146 LEU CB C 13 42.441 0.15 . 1 . . . . . 146 LEU CB . 27687 1 1566 . 1 1 146 146 LEU CG C 13 25.752 0.20 . 1 . . . . . 146 LEU CG . 27687 1 1567 . 1 1 146 146 LEU CD1 C 13 23.381 0.20 . 2 . . . . . 146 LEU CD1 . 27687 1 1568 . 1 1 146 146 LEU CD2 C 13 24.919 0.20 . 2 . . . . . 146 LEU CD2 . 27687 1 1569 . 1 1 146 146 LEU N N 15 121.131 0.05 . 1 . . . . . 146 LEU N . 27687 1 1570 . 1 1 147 147 ILE H H 1 8.224 0.01 . 1 . . . . . 147 ILE H . 27687 1 1571 . 1 1 147 147 ILE HA H 1 3.548 0.05 . 1 . . . . . 147 ILE HA . 27687 1 1572 . 1 1 147 147 ILE HB H 1 1.904 0.05 . 1 . . . . . 147 ILE HB . 27687 1 1573 . 1 1 147 147 ILE HG12 H 1 1.729 0.05 . 1 . . . . . 147 ILE HG12 . 27687 1 1574 . 1 1 147 147 ILE HG13 H 1 1.729 0.05 . 1 . . . . . 147 ILE HG13 . 27687 1 1575 . 1 1 147 147 ILE HG21 H 1 0.782 0.05 . 1 . . . . . 147 ILE MG . 27687 1 1576 . 1 1 147 147 ILE HG22 H 1 0.782 0.05 . 1 . . . . . 147 ILE MG . 27687 1 1577 . 1 1 147 147 ILE HG23 H 1 0.782 0.05 . 1 . . . . . 147 ILE MG . 27687 1 1578 . 1 1 147 147 ILE HD11 H 1 0.690 0.05 . 1 . . . . . 147 ILE MD . 27687 1 1579 . 1 1 147 147 ILE HD12 H 1 0.690 0.05 . 1 . . . . . 147 ILE MD . 27687 1 1580 . 1 1 147 147 ILE HD13 H 1 0.690 0.05 . 1 . . . . . 147 ILE MD . 27687 1 1581 . 1 1 147 147 ILE C C 13 177.160 0.10 . 1 . . . . . 147 ILE C . 27687 1 1582 . 1 1 147 147 ILE CA C 13 65.454 0.15 . 1 . . . . . 147 ILE CA . 27687 1 1583 . 1 1 147 147 ILE CB C 13 37.914 0.15 . 1 . . . . . 147 ILE CB . 27687 1 1584 . 1 1 147 147 ILE CG1 C 13 29.303 0.20 . 1 . . . . . 147 ILE CG1 . 27687 1 1585 . 1 1 147 147 ILE CG2 C 13 17.351 0.20 . 1 . . . . . 147 ILE CG2 . 27687 1 1586 . 1 1 147 147 ILE CD1 C 13 13.089 0.20 . 1 . . . . . 147 ILE CD1 . 27687 1 1587 . 1 1 147 147 ILE N N 15 120.996 0.05 . 1 . . . . . 147 ILE N . 27687 1 1588 . 1 1 148 148 GLU H H 1 8.722 0.01 . 1 . . . . . 148 GLU H . 27687 1 1589 . 1 1 148 148 GLU HA H 1 3.728 0.05 . 1 . . . . . 148 GLU HA . 27687 1 1590 . 1 1 148 148 GLU HB2 H 1 2.157 0.05 . 1 . . . . . 148 GLU HB2 . 27687 1 1591 . 1 1 148 148 GLU HB3 H 1 2.157 0.05 . 1 . . . . . 148 GLU HB3 . 27687 1 1592 . 1 1 148 148 GLU HG2 H 1 2.157 0.05 . 1 . . . . . 148 GLU HG2 . 27687 1 1593 . 1 1 148 148 GLU HG3 H 1 2.157 0.05 . 1 . . . . . 148 GLU HG3 . 27687 1 1594 . 1 1 148 148 GLU C C 13 178.131 0.10 . 1 . . . . . 148 GLU C . 27687 1 1595 . 1 1 148 148 GLU CA C 13 60.487 0.15 . 1 . . . . . 148 GLU CA . 27687 1 1596 . 1 1 148 148 GLU CB C 13 30.314 0.15 . 1 . . . . . 148 GLU CB . 27687 1 1597 . 1 1 148 148 GLU CG C 13 36.770 0.20 . 1 . . . . . 148 GLU CG . 27687 1 1598 . 1 1 148 148 GLU N N 15 121.866 0.05 . 1 . . . . . 148 GLU N . 27687 1 1599 . 1 1 149 149 THR H H 1 8.499 0.01 . 1 . . . . . 149 THR H . 27687 1 1600 . 1 1 149 149 THR HA H 1 3.870 0.05 . 1 . . . . . 149 THR HA . 27687 1 1601 . 1 1 149 149 THR HG21 H 1 1.318 0.05 . 1 . . . . . 149 THR MG . 27687 1 1602 . 1 1 149 149 THR HG22 H 1 1.318 0.05 . 1 . . . . . 149 THR MG . 27687 1 1603 . 1 1 149 149 THR HG23 H 1 1.318 0.05 . 1 . . . . . 149 THR MG . 27687 1 1604 . 1 1 149 149 THR C C 13 177.205 0.10 . 1 . . . . . 149 THR C . 27687 1 1605 . 1 1 149 149 THR CA C 13 66.854 0.15 . 1 . . . . . 149 THR CA . 27687 1 1606 . 1 1 149 149 THR CB C 13 68.721 0.15 . 1 . . . . . 149 THR CB . 27687 1 1607 . 1 1 149 149 THR CG2 C 13 21.779 0.20 . 1 . . . . . 149 THR CG2 . 27687 1 1608 . 1 1 149 149 THR N N 15 115.307 0.05 . 1 . . . . . 149 THR N . 27687 1 1609 . 1 1 150 150 TYR H H 1 8.021 0.01 . 1 . . . . . 150 TYR H . 27687 1 1610 . 1 1 150 150 TYR HA H 1 4.356 0.05 . 1 . . . . . 150 TYR HA . 27687 1 1611 . 1 1 150 150 TYR HB2 H 1 3.195 0.05 . 1 . . . . . 150 TYR HB2 . 27687 1 1612 . 1 1 150 150 TYR HB3 H 1 3.195 0.05 . 1 . . . . . 150 TYR HB3 . 27687 1 1613 . 1 1 150 150 TYR C C 13 178.858 0.10 . 1 . . . . . 150 TYR C . 27687 1 1614 . 1 1 150 150 TYR CA C 13 62.436 0.15 . 1 . . . . . 150 TYR CA . 27687 1 1615 . 1 1 150 150 TYR CB C 13 38.413 0.15 . 1 . . . . . 150 TYR CB . 27687 1 1616 . 1 1 150 150 TYR N N 15 123.499 0.05 . 1 . . . . . 150 TYR N . 27687 1 1617 . 1 1 151 151 LEU H H 1 8.877 0.01 . 1 . . . . . 151 LEU H . 27687 1 1618 . 1 1 151 151 LEU HA H 1 4.012 0.05 . 1 . . . . . 151 LEU HA . 27687 1 1619 . 1 1 151 151 LEU HB2 H 1 2.030 0.05 . 2 . . . . . 151 LEU HB2 . 27687 1 1620 . 1 1 151 151 LEU HB3 H 1 1.395 0.05 . 2 . . . . . 151 LEU HB3 . 27687 1 1621 . 1 1 151 151 LEU HG H 1 1.395 0.05 . 1 . . . . . 151 LEU HG . 27687 1 1622 . 1 1 151 151 LEU HD11 H 1 1.033 0.05 . 1 . . . . . 151 LEU MD1 . 27687 1 1623 . 1 1 151 151 LEU HD12 H 1 1.033 0.05 . 1 . . . . . 151 LEU MD1 . 27687 1 1624 . 1 1 151 151 LEU HD13 H 1 1.033 0.05 . 1 . . . . . 151 LEU MD1 . 27687 1 1625 . 1 1 151 151 LEU HD21 H 1 1.033 0.05 . 1 . . . . . 151 LEU MD2 . 27687 1 1626 . 1 1 151 151 LEU HD22 H 1 1.033 0.05 . 1 . . . . . 151 LEU MD2 . 27687 1 1627 . 1 1 151 151 LEU HD23 H 1 1.033 0.05 . 1 . . . . . 151 LEU MD2 . 27687 1 1628 . 1 1 151 151 LEU C C 13 180.337 0.10 . 1 . . . . . 151 LEU C . 27687 1 1629 . 1 1 151 151 LEU CA C 13 57.902 0.15 . 1 . . . . . 151 LEU CA . 27687 1 1630 . 1 1 151 151 LEU CB C 13 41.090 0.15 . 1 . . . . . 151 LEU CB . 27687 1 1631 . 1 1 151 151 LEU CG C 13 27.466 0.20 . 1 . . . . . 151 LEU CG . 27687 1 1632 . 1 1 151 151 LEU CD1 C 13 22.964 0.20 . 1 . . . . . 151 LEU CD1 . 27687 1 1633 . 1 1 151 151 LEU CD2 C 13 22.964 0.20 . 1 . . . . . 151 LEU CD2 . 27687 1 1634 . 1 1 151 151 LEU N N 15 120.518 0.05 . 1 . . . . . 151 LEU N . 27687 1 1635 . 1 1 152 152 LYS H H 1 8.618 0.01 . 1 . . . . . 152 LYS H . 27687 1 1636 . 1 1 152 152 LYS HA H 1 4.088 0.05 . 1 . . . . . 152 LYS HA . 27687 1 1637 . 1 1 152 152 LYS HB2 H 1 1.865 0.05 . 1 . . . . . 152 LYS HB2 . 27687 1 1638 . 1 1 152 152 LYS HB3 H 1 1.865 0.05 . 1 . . . . . 152 LYS HB3 . 27687 1 1639 . 1 1 152 152 LYS HG2 H 1 1.413 0.05 . 1 . . . . . 152 LYS HG2 . 27687 1 1640 . 1 1 152 152 LYS HG3 H 1 1.413 0.05 . 1 . . . . . 152 LYS HG3 . 27687 1 1641 . 1 1 152 152 LYS HD2 H 1 1.644 0.05 . 1 . . . . . 152 LYS HD2 . 27687 1 1642 . 1 1 152 152 LYS HD3 H 1 1.644 0.05 . 1 . . . . . 152 LYS HD3 . 27687 1 1643 . 1 1 152 152 LYS HE2 H 1 2.919 0.05 . 1 . . . . . 152 LYS HE2 . 27687 1 1644 . 1 1 152 152 LYS HE3 H 1 2.919 0.05 . 1 . . . . . 152 LYS HE3 . 27687 1 1645 . 1 1 152 152 LYS C C 13 178.527 0.10 . 1 . . . . . 152 LYS C . 27687 1 1646 . 1 1 152 152 LYS CA C 13 59.197 0.15 . 1 . . . . . 152 LYS CA . 27687 1 1647 . 1 1 152 152 LYS CB C 13 32.285 0.15 . 1 . . . . . 152 LYS CB . 27687 1 1648 . 1 1 152 152 LYS CG C 13 25.670 0.20 . 1 . . . . . 152 LYS CG . 27687 1 1649 . 1 1 152 152 LYS CD C 13 29.278 0.20 . 1 . . . . . 152 LYS CD . 27687 1 1650 . 1 1 152 152 LYS CE C 13 41.582 0.20 . 1 . . . . . 152 LYS CE . 27687 1 1651 . 1 1 152 152 LYS N N 15 119.878 0.05 . 1 . . . . . 152 LYS N . 27687 1 1652 . 1 1 153 153 GLY H H 1 7.562 0.01 . 1 . . . . . 153 GLY H . 27687 1 1653 . 1 1 153 153 GLY HA2 H 1 4.052 0.05 . 2 . . . . . 153 GLY HA2 . 27687 1 1654 . 1 1 153 153 GLY HA3 H 1 3.652 0.05 . 2 . . . . . 153 GLY HA3 . 27687 1 1655 . 1 1 153 153 GLY C C 13 173.023 0.10 . 1 . . . . . 153 GLY C . 27687 1 1656 . 1 1 153 153 GLY CA C 13 44.962 0.15 . 1 . . . . . 153 GLY CA . 27687 1 1657 . 1 1 153 153 GLY N N 15 103.620 0.05 . 1 . . . . . 153 GLY N . 27687 1 1658 . 1 1 154 154 HIS H H 1 7.217 0.01 . 1 . . . . . 154 HIS H . 27687 1 1659 . 1 1 154 154 HIS HA H 1 4.859 0.05 . 1 . . . . . 154 HIS HA . 27687 1 1660 . 1 1 154 154 HIS HB2 H 1 2.960 0.05 . 2 . . . . . 154 HIS HB2 . 27687 1 1661 . 1 1 154 154 HIS HB3 H 1 2.497 0.05 . 2 . . . . . 154 HIS HB3 . 27687 1 1662 . 1 1 154 154 HIS C C 13 172.612 0.10 . 1 . . . . . 154 HIS C . 27687 1 1663 . 1 1 154 154 HIS CA C 13 54.145 0.15 . 1 . . . . . 154 HIS CA . 27687 1 1664 . 1 1 154 154 HIS CB C 13 28.031 0.15 . 1 . . . . . 154 HIS CB . 27687 1 1665 . 1 1 154 154 HIS N N 15 117.412 0.05 . 1 . . . . . 154 HIS N . 27687 1 1666 . 1 1 155 155 PRO HA H 1 4.394 0.05 . 1 . . . . . 155 PRO HA . 27687 1 1667 . 1 1 155 155 PRO HB2 H 1 2.026 0.05 . 2 . . . . . 155 PRO HB2 . 27687 1 1668 . 1 1 155 155 PRO HB3 H 1 2.381 0.05 . 2 . . . . . 155 PRO HB3 . 27687 1 1669 . 1 1 155 155 PRO HG2 H 1 1.950 0.05 . 1 . . . . . 155 PRO HG2 . 27687 1 1670 . 1 1 155 155 PRO HG3 H 1 1.950 0.05 . 1 . . . . . 155 PRO HG3 . 27687 1 1671 . 1 1 155 155 PRO HD2 H 1 3.265 0.05 . 2 . . . . . 155 PRO HD2 . 27687 1 1672 . 1 1 155 155 PRO HD3 H 1 3.588 0.05 . 2 . . . . . 155 PRO HD3 . 27687 1 1673 . 1 1 155 155 PRO C C 13 176.207 0.10 . 1 . . . . . 155 PRO C . 27687 1 1674 . 1 1 155 155 PRO CA C 13 64.686 0.15 . 1 . . . . . 155 PRO CA . 27687 1 1675 . 1 1 155 155 PRO CB C 13 32.102 0.15 . 1 . . . . . 155 PRO CB . 27687 1 1676 . 1 1 155 155 PRO CG C 13 26.966 0.15 . 1 . . . . . 155 PRO CG . 27687 1 1677 . 1 1 155 155 PRO CD C 13 50.397 0.15 . 1 . . . . . 155 PRO CD . 27687 1 1678 . 1 1 156 156 ASP H H 1 8.578 0.01 . 1 . . . . . 156 ASP H . 27687 1 1679 . 1 1 156 156 ASP HA H 1 4.566 0.05 . 1 . . . . . 156 ASP HA . 27687 1 1680 . 1 1 156 156 ASP HB2 H 1 2.646 0.05 . 1 . . . . . 156 ASP HB2 . 27687 1 1681 . 1 1 156 156 ASP HB3 H 1 2.646 0.05 . 1 . . . . . 156 ASP HB3 . 27687 1 1682 . 1 1 156 156 ASP C C 13 176.353 0.10 . 1 . . . . . 156 ASP C . 27687 1 1683 . 1 1 156 156 ASP CA C 13 54.000 0.15 . 1 . . . . . 156 ASP CA . 27687 1 1684 . 1 1 156 156 ASP CB C 13 40.585 0.15 . 1 . . . . . 156 ASP CB . 27687 1 1685 . 1 1 156 156 ASP N N 15 114.467 0.05 . 1 . . . . . 156 ASP N . 27687 1 1686 . 1 1 157 157 ALA H H 1 7.775 0.01 . 1 . . . . . 157 ALA H . 27687 1 1687 . 1 1 157 157 ALA HA H 1 4.202 0.05 . 1 . . . . . 157 ALA HA . 27687 1 1688 . 1 1 157 157 ALA HB1 H 1 1.423 0.05 . 1 . . . . . 157 ALA MB . 27687 1 1689 . 1 1 157 157 ALA HB2 H 1 1.423 0.05 . 1 . . . . . 157 ALA MB . 27687 1 1690 . 1 1 157 157 ALA HB3 H 1 1.423 0.05 . 1 . . . . . 157 ALA MB . 27687 1 1691 . 1 1 157 157 ALA C C 13 177.710 0.10 . 1 . . . . . 157 ALA C . 27687 1 1692 . 1 1 157 157 ALA CA C 13 52.521 0.15 . 1 . . . . . 157 ALA CA . 27687 1 1693 . 1 1 157 157 ALA CB C 13 19.791 0.15 . 1 . . . . . 157 ALA CB . 27687 1 1694 . 1 1 157 157 ALA N N 15 124.265 0.05 . 1 . . . . . 157 ALA N . 27687 1 1695 . 1 1 158 158 TYR H H 1 8.742 0.01 . 1 . . . . . 158 TYR H . 27687 1 1696 . 1 1 158 158 TYR HA H 1 4.094 0.05 . 1 . . . . . 158 TYR HA . 27687 1 1697 . 1 1 158 158 TYR HB2 H 1 3.360 0.05 . 2 . . . . . 158 TYR HB2 . 27687 1 1698 . 1 1 158 158 TYR HB3 H 1 3.044 0.05 . 2 . . . . . 158 TYR HB3 . 27687 1 1699 . 1 1 158 158 TYR C C 13 173.484 0.10 . 1 . . . . . 158 TYR C . 27687 1 1700 . 1 1 158 158 TYR CA C 13 60.102 0.15 . 1 . . . . . 158 TYR CA . 27687 1 1701 . 1 1 158 158 TYR CB C 13 35.125 0.15 . 1 . . . . . 158 TYR CB . 27687 1 1702 . 1 1 158 158 TYR N N 15 117.809 0.05 . 1 . . . . . 158 TYR N . 27687 1 1703 . 1 1 159 159 ASN H H 1 7.701 0.01 . 1 . . . . . 159 ASN H . 27687 1 1704 . 1 1 159 159 ASN HA H 1 4.676 0.05 . 1 . . . . . 159 ASN HA . 27687 1 1705 . 1 1 159 159 ASN HB2 H 1 2.824 0.05 . 2 . . . . . 159 ASN HB2 . 27687 1 1706 . 1 1 159 159 ASN HB3 H 1 2.536 0.05 . 2 . . . . . 159 ASN HB3 . 27687 1 1707 . 1 1 159 159 ASN HD21 H 1 6.874 0.05 . 2 . . . . . 159 ASN HD21 . 27687 1 1708 . 1 1 159 159 ASN HD22 H 1 7.261 0.05 . 2 . . . . . 159 ASN HD22 . 27687 1 1709 . 1 1 159 159 ASN C C 13 180.313 0.10 . 1 . . . . . 159 ASN C . 27687 1 1710 . 1 1 159 159 ASN CA C 13 54.441 0.15 . 1 . . . . . 159 ASN CA . 27687 1 1711 . 1 1 159 159 ASN CB C 13 40.683 0.15 . 1 . . . . . 159 ASN CB . 27687 1 1712 . 1 1 159 159 ASN CG C 13 177.998 0.20 . 1 . . . . . 159 ASN CG . 27687 1 1713 . 1 1 159 159 ASN N N 15 121.485 0.05 . 1 . . . . . 159 ASN N . 27687 1 1714 . 1 1 159 159 ASN ND2 N 15 112.188 0.05 . 1 . . . . . 159 ASN ND2 . 27687 1 stop_ save_