data_50751 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50751 _Entry.Title ; Resonance assignment of Decorin binding protein A from European species Borrelia afzelii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-08 _Entry.Accession_date 2021-02-08 _Entry.Last_release_date 2021-02-08 _Entry.Original_release_date 2021-02-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _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 Libor Hejduk . . . . 50751 2 Adriana Rathner . . . . 50751 3 Petr Rathner . . . . 50751 4 Martin Strnad . . . . 50751 5 Libor Grubhoffer . . . . 50751 6 Jan Sterba . . . . 50751 7 Ryan Rego . O.M. . . 50751 8 Norbert Muller . . . . 50751 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50751 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 450 50751 '15N chemical shifts' 142 50751 '1H chemical shifts' 915 50751 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 . . 2021-11-19 2021-02-08 update BMRB 'update entry citation' 50751 1 . . 2021-08-10 2021-02-08 original author 'original release' 50751 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50751 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34357583 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Resonance assignment and secondary structure of DbpA protein from the European species, Borrelia afzelii ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 415 _Citation.Page_last 420 _Citation.Year 2021 _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 Libor Hejduk . . . . 50751 1 2 Petr Rathner . . . . 50751 1 3 Martin Strnad . . . . 50751 1 4 Libor Grubhoffer . . . . 50751 1 5 Jan Sterba . . . . 50751 1 6 Ryan Rego . . . . 50751 1 7 Norbert Muller . . . . 50751 1 8 Adriana Rathner . . . . 50751 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50751 _Assembly.ID 1 _Assembly.Name DbpA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 DbpA 1 $entity_1 . . yes native no no . . . 50751 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50751 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HHHHHHGSSLTGKARLESSV KDITNEIEKAIKEAEDAGVK TDAFTETQTGGKVGGSQIRA AKIRVADLTIKFLEATEEET ITFKENGAGEEDFSGIYDLI LNAAKAVEKIGMQGMKQAVE EAAKEKPKTTADGIIAIVKV MKAKVENIKEKQTKNQK ; _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 157 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17054 _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 15 HIS . 50751 1 2 16 HIS . 50751 1 3 17 HIS . 50751 1 4 18 HIS . 50751 1 5 19 HIS . 50751 1 6 20 HIS . 50751 1 7 21 GLY . 50751 1 8 22 SER . 50751 1 9 23 SER . 50751 1 10 24 LEU . 50751 1 11 25 THR . 50751 1 12 26 GLY . 50751 1 13 27 LYS . 50751 1 14 28 ALA . 50751 1 15 29 ARG . 50751 1 16 30 LEU . 50751 1 17 31 GLU . 50751 1 18 32 SER . 50751 1 19 33 SER . 50751 1 20 34 VAL . 50751 1 21 35 LYS . 50751 1 22 36 ASP . 50751 1 23 37 ILE . 50751 1 24 38 THR . 50751 1 25 39 ASN . 50751 1 26 40 GLU . 50751 1 27 41 ILE . 50751 1 28 42 GLU . 50751 1 29 43 LYS . 50751 1 30 44 ALA . 50751 1 31 45 ILE . 50751 1 32 46 LYS . 50751 1 33 47 GLU . 50751 1 34 48 ALA . 50751 1 35 49 GLU . 50751 1 36 50 ASP . 50751 1 37 51 ALA . 50751 1 38 52 GLY . 50751 1 39 53 VAL . 50751 1 40 54 LYS . 50751 1 41 55 THR . 50751 1 42 56 ASP . 50751 1 43 57 ALA . 50751 1 44 58 PHE . 50751 1 45 59 THR . 50751 1 46 60 GLU . 50751 1 47 61 THR . 50751 1 48 62 GLN . 50751 1 49 63 THR . 50751 1 50 64 GLY . 50751 1 51 65 GLY . 50751 1 52 66 LYS . 50751 1 53 67 VAL . 50751 1 54 68 GLY . 50751 1 55 69 GLY . 50751 1 56 70 SER . 50751 1 57 71 GLN . 50751 1 58 72 ILE . 50751 1 59 73 ARG . 50751 1 60 74 ALA . 50751 1 61 75 ALA . 50751 1 62 76 LYS . 50751 1 63 77 ILE . 50751 1 64 78 ARG . 50751 1 65 79 VAL . 50751 1 66 80 ALA . 50751 1 67 81 ASP . 50751 1 68 82 LEU . 50751 1 69 83 THR . 50751 1 70 84 ILE . 50751 1 71 85 LYS . 50751 1 72 86 PHE . 50751 1 73 87 LEU . 50751 1 74 88 GLU . 50751 1 75 89 ALA . 50751 1 76 90 THR . 50751 1 77 91 GLU . 50751 1 78 92 GLU . 50751 1 79 93 GLU . 50751 1 80 94 THR . 50751 1 81 95 ILE . 50751 1 82 96 THR . 50751 1 83 97 PHE . 50751 1 84 98 LYS . 50751 1 85 99 GLU . 50751 1 86 100 ASN . 50751 1 87 101 GLY . 50751 1 88 102 ALA . 50751 1 89 103 GLY . 50751 1 90 104 GLU . 50751 1 91 105 GLU . 50751 1 92 106 ASP . 50751 1 93 107 PHE . 50751 1 94 108 SER . 50751 1 95 109 GLY . 50751 1 96 110 ILE . 50751 1 97 111 TYR . 50751 1 98 112 ASP . 50751 1 99 113 LEU . 50751 1 100 114 ILE . 50751 1 101 115 LEU . 50751 1 102 116 ASN . 50751 1 103 117 ALA . 50751 1 104 118 ALA . 50751 1 105 119 LYS . 50751 1 106 120 ALA . 50751 1 107 121 VAL . 50751 1 108 122 GLU . 50751 1 109 123 LYS . 50751 1 110 124 ILE . 50751 1 111 125 GLY . 50751 1 112 126 MET . 50751 1 113 127 GLN . 50751 1 114 128 GLY . 50751 1 115 129 MET . 50751 1 116 130 LYS . 50751 1 117 131 GLN . 50751 1 118 132 ALA . 50751 1 119 133 VAL . 50751 1 120 134 GLU . 50751 1 121 135 GLU . 50751 1 122 136 ALA . 50751 1 123 137 ALA . 50751 1 124 138 LYS . 50751 1 125 139 GLU . 50751 1 126 140 LYS . 50751 1 127 141 PRO . 50751 1 128 142 LYS . 50751 1 129 143 THR . 50751 1 130 144 THR . 50751 1 131 145 ALA . 50751 1 132 146 ASP . 50751 1 133 147 GLY . 50751 1 134 148 ILE . 50751 1 135 149 ILE . 50751 1 136 150 ALA . 50751 1 137 151 ILE . 50751 1 138 152 VAL . 50751 1 139 153 LYS . 50751 1 140 154 VAL . 50751 1 141 155 MET . 50751 1 142 156 LYS . 50751 1 143 157 ALA . 50751 1 144 158 LYS . 50751 1 145 159 VAL . 50751 1 146 160 GLU . 50751 1 147 161 ASN . 50751 1 148 162 ILE . 50751 1 149 163 LYS . 50751 1 150 164 GLU . 50751 1 151 165 LYS . 50751 1 152 166 GLN . 50751 1 153 167 THR . 50751 1 154 168 LYS . 50751 1 155 169 ASN . 50751 1 156 170 GLN . 50751 1 157 171 LYS . 50751 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 . HIS 1 1 50751 1 . HIS 2 2 50751 1 . HIS 3 3 50751 1 . HIS 4 4 50751 1 . HIS 5 5 50751 1 . HIS 6 6 50751 1 . GLY 7 7 50751 1 . SER 8 8 50751 1 . SER 9 9 50751 1 . LEU 10 10 50751 1 . THR 11 11 50751 1 . GLY 12 12 50751 1 . LYS 13 13 50751 1 . ALA 14 14 50751 1 . ARG 15 15 50751 1 . LEU 16 16 50751 1 . GLU 17 17 50751 1 . SER 18 18 50751 1 . SER 19 19 50751 1 . VAL 20 20 50751 1 . LYS 21 21 50751 1 . ASP 22 22 50751 1 . ILE 23 23 50751 1 . THR 24 24 50751 1 . ASN 25 25 50751 1 . GLU 26 26 50751 1 . ILE 27 27 50751 1 . GLU 28 28 50751 1 . LYS 29 29 50751 1 . ALA 30 30 50751 1 . ILE 31 31 50751 1 . LYS 32 32 50751 1 . GLU 33 33 50751 1 . ALA 34 34 50751 1 . GLU 35 35 50751 1 . ASP 36 36 50751 1 . ALA 37 37 50751 1 . GLY 38 38 50751 1 . VAL 39 39 50751 1 . LYS 40 40 50751 1 . THR 41 41 50751 1 . ASP 42 42 50751 1 . ALA 43 43 50751 1 . PHE 44 44 50751 1 . THR 45 45 50751 1 . GLU 46 46 50751 1 . THR 47 47 50751 1 . GLN 48 48 50751 1 . THR 49 49 50751 1 . GLY 50 50 50751 1 . GLY 51 51 50751 1 . LYS 52 52 50751 1 . VAL 53 53 50751 1 . GLY 54 54 50751 1 . GLY 55 55 50751 1 . SER 56 56 50751 1 . GLN 57 57 50751 1 . ILE 58 58 50751 1 . ARG 59 59 50751 1 . ALA 60 60 50751 1 . ALA 61 61 50751 1 . LYS 62 62 50751 1 . ILE 63 63 50751 1 . ARG 64 64 50751 1 . VAL 65 65 50751 1 . ALA 66 66 50751 1 . ASP 67 67 50751 1 . LEU 68 68 50751 1 . THR 69 69 50751 1 . ILE 70 70 50751 1 . LYS 71 71 50751 1 . PHE 72 72 50751 1 . LEU 73 73 50751 1 . GLU 74 74 50751 1 . ALA 75 75 50751 1 . THR 76 76 50751 1 . GLU 77 77 50751 1 . GLU 78 78 50751 1 . GLU 79 79 50751 1 . THR 80 80 50751 1 . ILE 81 81 50751 1 . THR 82 82 50751 1 . PHE 83 83 50751 1 . LYS 84 84 50751 1 . GLU 85 85 50751 1 . ASN 86 86 50751 1 . GLY 87 87 50751 1 . ALA 88 88 50751 1 . GLY 89 89 50751 1 . GLU 90 90 50751 1 . GLU 91 91 50751 1 . ASP 92 92 50751 1 . PHE 93 93 50751 1 . SER 94 94 50751 1 . GLY 95 95 50751 1 . ILE 96 96 50751 1 . TYR 97 97 50751 1 . ASP 98 98 50751 1 . LEU 99 99 50751 1 . ILE 100 100 50751 1 . LEU 101 101 50751 1 . ASN 102 102 50751 1 . ALA 103 103 50751 1 . ALA 104 104 50751 1 . LYS 105 105 50751 1 . ALA 106 106 50751 1 . VAL 107 107 50751 1 . GLU 108 108 50751 1 . LYS 109 109 50751 1 . ILE 110 110 50751 1 . GLY 111 111 50751 1 . MET 112 112 50751 1 . GLN 113 113 50751 1 . GLY 114 114 50751 1 . MET 115 115 50751 1 . LYS 116 116 50751 1 . GLN 117 117 50751 1 . ALA 118 118 50751 1 . VAL 119 119 50751 1 . GLU 120 120 50751 1 . GLU 121 121 50751 1 . ALA 122 122 50751 1 . ALA 123 123 50751 1 . LYS 124 124 50751 1 . GLU 125 125 50751 1 . LYS 126 126 50751 1 . PRO 127 127 50751 1 . LYS 128 128 50751 1 . THR 129 129 50751 1 . THR 130 130 50751 1 . ALA 131 131 50751 1 . ASP 132 132 50751 1 . GLY 133 133 50751 1 . ILE 134 134 50751 1 . ILE 135 135 50751 1 . ALA 136 136 50751 1 . ILE 137 137 50751 1 . VAL 138 138 50751 1 . LYS 139 139 50751 1 . VAL 140 140 50751 1 . MET 141 141 50751 1 . LYS 142 142 50751 1 . ALA 143 143 50751 1 . LYS 144 144 50751 1 . VAL 145 145 50751 1 . GLU 146 146 50751 1 . ASN 147 147 50751 1 . ILE 148 148 50751 1 . LYS 149 149 50751 1 . GLU 150 150 50751 1 . LYS 151 151 50751 1 . GLN 152 152 50751 1 . THR 153 153 50751 1 . LYS 154 154 50751 1 . ASN 155 155 50751 1 . GLN 156 156 50751 1 . LYS 157 157 50751 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50751 _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 $entity_1 . 29518 organism . 'Borrelia afzelii' 'Borrelia afzelii' . . Bacteria . Borrelia afzelii A91 . . . . . . . . . . . . 50751 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50751 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli M15 . . plasmid . . pQE30 . . . 50751 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50751 _Sample.ID 1 _Sample.Name DbpA _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.0' _Sample.Aggregate_sample_number 1 _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 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50751 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 50751 1 3 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 50751 1 4 DbpA '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 470 . . uM . . . . 50751 1 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 50751 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'DbpA measurement' _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 'ionic strength' 0.18 . mM 50751 1 pH 6.0 . pH 50751 1 pressure 1 . atm 50751 1 temperature 313 . K 50751 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50751 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.8.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50751 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50751 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50751 2 processing . 50751 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50751 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Ascend 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50751 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50751 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50751 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50751 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50751 1 5 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50751 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50751 1 7 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50751 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50751 1 9 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50751 1 10 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50751 1 11 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50751 1 12 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50751 1 13 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50751 1 14 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50751 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50751 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Reference_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 internal indirect 0.25144953 . . . . . 50751 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50751 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 50751 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50751 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name list_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 $chem_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-13C HSQC aliphatic' . . . 50751 1 2 '3D 1H-13C NOESY aliphatic' . . . 50751 1 3 '2D 1H-15N HSQC' . . . 50751 1 4 '3D 1H-15N NOESY' . . . 50751 1 5 '2D 1H-15N TROSY' . . . 50751 1 6 '3D CBCA(CO)NH' . . . 50751 1 7 '3D C(CO)NH' . . . 50751 1 8 '3D H(CCO)NH' . . . 50751 1 9 '3D HCCH-COSY' . . . 50751 1 10 '3D (H)CCH-TOCSY' . . . 50751 1 11 '3D HNCA' . . . 50751 1 12 '3D HNCACB' . . . 50751 1 13 '3D HNCO' . . . 50751 1 14 '3D HNHA' . . . 50751 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 $software_1 . . 50751 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 10 10 LEU H H 1 8.132 0.020 . 1 . . . . . 24 LEU H . 50751 1 2 . 1 . 1 10 10 LEU HA H 1 4.596 0.020 . 1 . . . . . 24 LEU HA . 50751 1 3 . 1 . 1 10 10 LEU HB2 H 1 1.643 0.020 . 1 . . . . . 24 LEU HB2 . 50751 1 4 . 1 . 1 10 10 LEU HB3 H 1 1.643 0.020 . 1 . . . . . 24 LEU HB3 . 50751 1 5 . 1 . 1 10 10 LEU HG H 1 1.387 0.020 . 1 . . . . . 24 LEU HG . 50751 1 6 . 1 . 1 10 10 LEU HD11 H 1 0.960 0.020 . 1 . . . . . 24 LEU HD1 . 50751 1 7 . 1 . 1 10 10 LEU HD12 H 1 0.960 0.020 . 1 . . . . . 24 LEU HD1 . 50751 1 8 . 1 . 1 10 10 LEU HD13 H 1 0.960 0.020 . 1 . . . . . 24 LEU HD1 . 50751 1 9 . 1 . 1 10 10 LEU HD21 H 1 0.960 0.020 . 1 . . . . . 24 LEU HD2 . 50751 1 10 . 1 . 1 10 10 LEU HD22 H 1 0.960 0.020 . 1 . . . . . 24 LEU HD2 . 50751 1 11 . 1 . 1 10 10 LEU HD23 H 1 0.960 0.020 . 1 . . . . . 24 LEU HD2 . 50751 1 12 . 1 . 1 10 10 LEU C C 13 176.779 0.3 . 1 . . . . . 24 LEU C . 50751 1 13 . 1 . 1 10 10 LEU CA C 13 55.249 0.3 . 1 . . . . . 24 LEU CA . 50751 1 14 . 1 . 1 10 10 LEU CB C 13 42.733 0.3 . 1 . . . . . 24 LEU CB . 50751 1 15 . 1 . 1 10 10 LEU CG C 13 25.616 0.3 . 1 . . . . . 24 LEU CG . 50751 1 16 . 1 . 1 10 10 LEU CD1 C 13 23.807 0.3 . 1 . . . . . 24 LEU CD1 . 50751 1 17 . 1 . 1 10 10 LEU N N 15 122.592 0.3 . 1 . . . . . 24 LEU N . 50751 1 18 . 1 . 1 11 11 THR H H 1 8.083 0.020 . 1 . . . . . 25 THR H . 50751 1 19 . 1 . 1 11 11 THR HA H 1 4.558 0.020 . 1 . . . . . 25 THR HA . 50751 1 20 . 1 . 1 11 11 THR HB H 1 4.308 0.020 . 1 . . . . . 25 THR HB . 50751 1 21 . 1 . 1 11 11 THR HG21 H 1 1.165 0.020 . 1 . . . . . 25 THR HG2 . 50751 1 22 . 1 . 1 11 11 THR HG22 H 1 1.165 0.020 . 1 . . . . . 25 THR HG2 . 50751 1 23 . 1 . 1 11 11 THR HG23 H 1 1.165 0.020 . 1 . . . . . 25 THR HG2 . 50751 1 24 . 1 . 1 11 11 THR CA C 13 61.007 0.3 . 1 . . . . . 25 THR CA . 50751 1 25 . 1 . 1 11 11 THR CB C 13 71.365 0.3 . 1 . . . . . 25 THR CB . 50751 1 26 . 1 . 1 11 11 THR CG2 C 13 21.275 0.3 . 1 . . . . . 25 THR CG2 . 50751 1 27 . 1 . 1 11 11 THR N N 15 112.434 0.3 . 1 . . . . . 25 THR N . 50751 1 28 . 1 . 1 12 12 GLY H H 1 8.415 0.020 . 1 . . . . . 26 GLY H . 50751 1 29 . 1 . 1 12 12 GLY HA2 H 1 3.957 0.020 . 1 . . . . . 26 GLY HA2 . 50751 1 30 . 1 . 1 12 12 GLY HA3 H 1 3.957 0.020 . 1 . . . . . 26 GLY HA3 . 50751 1 31 . 1 . 1 12 12 GLY CA C 13 46.625 0.3 . 1 . . . . . 26 GLY CA . 50751 1 32 . 1 . 1 12 12 GLY N N 15 109.468 0.3 . 1 . . . . . 26 GLY N . 50751 1 33 . 1 . 1 13 13 LYS H H 1 8.870 0.020 . 1 . . . . . 27 LYS H . 50751 1 34 . 1 . 1 13 13 LYS HA H 1 4.085 0.020 . 1 . . . . . 27 LYS HA . 50751 1 35 . 1 . 1 13 13 LYS HB2 H 1 1.923 0.020 . 1 . . . . . 27 LYS HB2 . 50751 1 36 . 1 . 1 13 13 LYS HB3 H 1 1.923 0.020 . 1 . . . . . 27 LYS HB3 . 50751 1 37 . 1 . 1 13 13 LYS HG2 H 1 1.559 0.020 . 1 . . . . . 27 LYS HG2 . 50751 1 38 . 1 . 1 13 13 LYS HG3 H 1 1.559 0.020 . 1 . . . . . 27 LYS HG3 . 50751 1 39 . 1 . 1 13 13 LYS HD2 H 1 1.733 0.020 . 1 . . . . . 27 LYS HD2 . 50751 1 40 . 1 . 1 13 13 LYS HD3 H 1 1.733 0.020 . 1 . . . . . 27 LYS HD3 . 50751 1 41 . 1 . 1 13 13 LYS HE2 H 1 3.053 0.020 . 1 . . . . . 27 LYS HE2 . 50751 1 42 . 1 . 1 13 13 LYS HE3 H 1 3.053 0.020 . 1 . . . . . 27 LYS HE3 . 50751 1 43 . 1 . 1 13 13 LYS CA C 13 59.359 0.3 . 1 . . . . . 27 LYS CA . 50751 1 44 . 1 . 1 13 13 LYS CB C 13 32.526 0.3 . 1 . . . . . 27 LYS CB . 50751 1 45 . 1 . 1 13 13 LYS CG C 13 24.942 0.3 . 1 . . . . . 27 LYS CG . 50751 1 46 . 1 . 1 13 13 LYS CD C 13 29.184 0.3 . 1 . . . . . 27 LYS CD . 50751 1 47 . 1 . 1 13 13 LYS CE C 13 42.089 0.3 . 1 . . . . . 27 LYS CE . 50751 1 48 . 1 . 1 13 13 LYS N N 15 122.571 0.3 . 1 . . . . . 27 LYS N . 50751 1 49 . 1 . 1 14 14 ALA H H 1 8.233 0.020 . 1 . . . . . 28 ALA H . 50751 1 50 . 1 . 1 14 14 ALA HA H 1 4.352 0.020 . 1 . . . . . 28 ALA HA . 50751 1 51 . 1 . 1 14 14 ALA HB1 H 1 1.651 0.020 . 1 . . . . . 28 ALA HB . 50751 1 52 . 1 . 1 14 14 ALA HB2 H 1 1.651 0.020 . 1 . . . . . 28 ALA HB . 50751 1 53 . 1 . 1 14 14 ALA HB3 H 1 1.651 0.020 . 1 . . . . . 28 ALA HB . 50751 1 54 . 1 . 1 14 14 ALA CA C 13 55.013 0.3 . 1 . . . . . 28 ALA CA . 50751 1 55 . 1 . 1 14 14 ALA CB C 13 18.479 0.3 . 1 . . . . . 28 ALA CB . 50751 1 56 . 1 . 1 14 14 ALA N N 15 122.203 0.3 . 1 . . . . . 28 ALA N . 50751 1 57 . 1 . 1 15 15 ARG H H 1 7.299 0.020 . 1 . . . . . 29 ARG H . 50751 1 58 . 1 . 1 15 15 ARG HA H 1 3.977 0.020 . 1 . . . . . 29 ARG HA . 50751 1 59 . 1 . 1 15 15 ARG HB2 H 1 1.918 0.020 . 2 . . . . . 29 ARG HB2 . 50751 1 60 . 1 . 1 15 15 ARG HB3 H 1 1.851 0.020 . 2 . . . . . 29 ARG HB3 . 50751 1 61 . 1 . 1 15 15 ARG HG2 H 1 1.708 0.020 . 1 . . . . . 29 ARG HG2 . 50751 1 62 . 1 . 1 15 15 ARG HG3 H 1 1.708 0.020 . 1 . . . . . 29 ARG HG3 . 50751 1 63 . 1 . 1 15 15 ARG HD2 H 1 3.238 0.020 . 1 . . . . . 29 ARG HD2 . 50751 1 64 . 1 . 1 15 15 ARG HD3 H 1 3.238 0.020 . 1 . . . . . 29 ARG HD3 . 50751 1 65 . 1 . 1 15 15 ARG CA C 13 58.864 0.3 . 1 . . . . . 29 ARG CA . 50751 1 66 . 1 . 1 15 15 ARG CB C 13 30.600 0.3 . 1 . . . . . 29 ARG CB . 50751 1 67 . 1 . 1 15 15 ARG CG C 13 26.840 0.3 . 1 . . . . . 29 ARG CG . 50751 1 68 . 1 . 1 15 15 ARG CD C 13 43.457 0.3 . 1 . . . . . 29 ARG CD . 50751 1 69 . 1 . 1 15 15 ARG N N 15 118.694 0.3 . 1 . . . . . 29 ARG N . 50751 1 70 . 1 . 1 16 16 LEU H H 1 7.681 0.020 . 1 . . . . . 30 LEU H . 50751 1 71 . 1 . 1 16 16 LEU HA H 1 4.222 0.020 . 1 . . . . . 30 LEU HA . 50751 1 72 . 1 . 1 16 16 LEU HB2 H 1 1.583 0.020 . 1 . . . . . 30 LEU HB2 . 50751 1 73 . 1 . 1 16 16 LEU HB3 H 1 1.583 0.020 . 1 . . . . . 30 LEU HB3 . 50751 1 74 . 1 . 1 16 16 LEU HG H 1 1.439 0.020 . 1 . . . . . 30 LEU HG . 50751 1 75 . 1 . 1 16 16 LEU HD11 H 1 1.139 0.020 . 1 . . . . . 30 LEU HD1 . 50751 1 76 . 1 . 1 16 16 LEU HD12 H 1 1.139 0.020 . 1 . . . . . 30 LEU HD1 . 50751 1 77 . 1 . 1 16 16 LEU HD13 H 1 1.139 0.020 . 1 . . . . . 30 LEU HD1 . 50751 1 78 . 1 . 1 16 16 LEU HD21 H 1 0.968 0.020 . 1 . . . . . 30 LEU HD2 . 50751 1 79 . 1 . 1 16 16 LEU HD22 H 1 0.968 0.020 . 1 . . . . . 30 LEU HD2 . 50751 1 80 . 1 . 1 16 16 LEU HD23 H 1 0.968 0.020 . 1 . . . . . 30 LEU HD2 . 50751 1 81 . 1 . 1 16 16 LEU C C 13 179.017 0.3 . 1 . . . . . 30 LEU C . 50751 1 82 . 1 . 1 16 16 LEU CA C 13 57.875 0.3 . 1 . . . . . 30 LEU CA . 50751 1 83 . 1 . 1 16 16 LEU CB C 13 41.523 0.3 . 1 . . . . . 30 LEU CB . 50751 1 84 . 1 . 1 16 16 LEU CG C 13 26.783 0.3 . 1 . . . . . 30 LEU CG . 50751 1 85 . 1 . 1 16 16 LEU CD1 C 13 23.743 0.3 . 1 . . . . . 30 LEU CD1 . 50751 1 86 . 1 . 1 16 16 LEU N N 15 118.904 0.3 . 1 . . . . . 30 LEU N . 50751 1 87 . 1 . 1 17 17 GLU H H 1 8.982 0.020 . 1 . . . . . 31 GLU H . 50751 1 88 . 1 . 1 17 17 GLU HA H 1 3.960 0.020 . 1 . . . . . 31 GLU HA . 50751 1 89 . 1 . 1 17 17 GLU HB2 H 1 2.089 0.020 . 1 . . . . . 31 GLU HB2 . 50751 1 90 . 1 . 1 17 17 GLU HB3 H 1 2.089 0.020 . 1 . . . . . 31 GLU HB3 . 50751 1 91 . 1 . 1 17 17 GLU HG2 H 1 2.339 0.020 . 1 . . . . . 31 GLU HG2 . 50751 1 92 . 1 . 1 17 17 GLU HG3 H 1 2.339 0.020 . 1 . . . . . 31 GLU HG3 . 50751 1 93 . 1 . 1 17 17 GLU CA C 13 60.012 0.3 . 1 . . . . . 31 GLU CA . 50751 1 94 . 1 . 1 17 17 GLU CB C 13 29.759 0.3 . 1 . . . . . 31 GLU CB . 50751 1 95 . 1 . 1 17 17 GLU CG C 13 36.490 0.3 . 1 . . . . . 31 GLU CG . 50751 1 96 . 1 . 1 17 17 GLU N N 15 119.756 0.3 . 1 . . . . . 31 GLU N . 50751 1 97 . 1 . 1 18 18 SER H H 1 7.930 0.020 . 1 . . . . . 32 SER H . 50751 1 98 . 1 . 1 18 18 SER HA H 1 4.226 0.020 . 1 . . . . . 32 SER HA . 50751 1 99 . 1 . 1 18 18 SER HB2 H 1 4.030 0.020 . 2 . . . . . 32 SER HB2 . 50751 1 100 . 1 . 1 18 18 SER HB3 H 1 3.993 0.020 . 2 . . . . . 32 SER HB3 . 50751 1 101 . 1 . 1 18 18 SER CA C 13 61.407 0.3 . 1 . . . . . 32 SER CA . 50751 1 102 . 1 . 1 18 18 SER CB C 13 62.787 0.3 . 1 . . . . . 32 SER CB . 50751 1 103 . 1 . 1 18 18 SER N N 15 114.383 0.3 . 1 . . . . . 32 SER N . 50751 1 104 . 1 . 1 19 19 SER H H 1 7.841 0.020 . 1 . . . . . 33 SER H . 50751 1 105 . 1 . 1 19 19 SER HA H 1 4.404 0.020 . 1 . . . . . 33 SER HA . 50751 1 106 . 1 . 1 19 19 SER HB2 H 1 4.319 0.020 . 1 . . . . . 33 SER HB2 . 50751 1 107 . 1 . 1 19 19 SER HB3 H 1 4.319 0.020 . 1 . . . . . 33 SER HB3 . 50751 1 108 . 1 . 1 19 19 SER C C 13 177.448 0.3 . 1 . . . . . 33 SER C . 50751 1 109 . 1 . 1 19 19 SER CA C 13 62.090 0.3 . 1 . . . . . 33 SER CA . 50751 1 110 . 1 . 1 19 19 SER CB C 13 63.593 0.3 . 1 . . . . . 33 SER CB . 50751 1 111 . 1 . 1 19 19 SER N N 15 116.400 0.3 . 1 . . . . . 33 SER N . 50751 1 112 . 1 . 1 20 20 VAL H H 1 8.035 0.020 . 1 . . . . . 34 VAL H . 50751 1 113 . 1 . 1 20 20 VAL HA H 1 4.200 0.020 . 1 . . . . . 34 VAL HA . 50751 1 114 . 1 . 1 20 20 VAL HB H 1 1.990 0.020 . 1 . . . . . 34 VAL HB . 50751 1 115 . 1 . 1 20 20 VAL HG11 H 1 0.760 0.020 . 1 . . . . . 34 VAL HG1 . 50751 1 116 . 1 . 1 20 20 VAL HG12 H 1 0.760 0.020 . 1 . . . . . 34 VAL HG1 . 50751 1 117 . 1 . 1 20 20 VAL HG13 H 1 0.760 0.020 . 1 . . . . . 34 VAL HG1 . 50751 1 118 . 1 . 1 20 20 VAL HG21 H 1 0.485 0.020 . 1 . . . . . 34 VAL HG2 . 50751 1 119 . 1 . 1 20 20 VAL HG22 H 1 0.485 0.020 . 1 . . . . . 34 VAL HG2 . 50751 1 120 . 1 . 1 20 20 VAL HG23 H 1 0.485 0.020 . 1 . . . . . 34 VAL HG2 . 50751 1 121 . 1 . 1 20 20 VAL CA C 13 66.953 0.3 . 1 . . . . . 34 VAL CA . 50751 1 122 . 1 . 1 20 20 VAL CB C 13 31.204 0.3 . 1 . . . . . 34 VAL CB . 50751 1 123 . 1 . 1 20 20 VAL CG1 C 13 21.161 0.3 . 1 . . . . . 34 VAL CG1 . 50751 1 124 . 1 . 1 20 20 VAL N N 15 121.517 0.3 . 1 . . . . . 34 VAL N . 50751 1 125 . 1 . 1 21 21 LYS H H 1 7.799 0.020 . 1 . . . . . 35 LYS H . 50751 1 126 . 1 . 1 21 21 LYS HA H 1 4.332 0.020 . 1 . . . . . 35 LYS HA . 50751 1 127 . 1 . 1 21 21 LYS HB2 H 1 2.285 0.020 . 1 . . . . . 35 LYS HB2 . 50751 1 128 . 1 . 1 21 21 LYS HB3 H 1 2.285 0.020 . 1 . . . . . 35 LYS HB3 . 50751 1 129 . 1 . 1 21 21 LYS CA C 13 58.983 0.3 . 1 . . . . . 35 LYS CA . 50751 1 130 . 1 . 1 21 21 LYS CB C 13 31.204 0.3 . 1 . . . . . 35 LYS CB . 50751 1 131 . 1 . 1 21 21 LYS CG C 13 23.225 0.3 . 1 . . . . . 35 LYS CG . 50751 1 132 . 1 . 1 21 21 LYS N N 15 122.915 0.3 . 1 . . . . . 35 LYS N . 50751 1 133 . 1 . 1 23 23 ILE H H 1 7.591 0.020 . 1 . . . . . 37 ILE H . 50751 1 134 . 1 . 1 23 23 ILE HA H 1 3.527 0.020 . 1 . . . . . 37 ILE HA . 50751 1 135 . 1 . 1 23 23 ILE HB H 1 2.087 0.020 . 1 . . . . . 37 ILE HB . 50751 1 136 . 1 . 1 23 23 ILE HG12 H 1 0.801 0.020 . 1 . . . . . 37 ILE HG12 . 50751 1 137 . 1 . 1 23 23 ILE HG13 H 1 0.801 0.020 . 1 . . . . . 37 ILE HG13 . 50751 1 138 . 1 . 1 23 23 ILE HG21 H 1 0.752 0.020 . 1 . . . . . 37 ILE HG2 . 50751 1 139 . 1 . 1 23 23 ILE HG22 H 1 0.752 0.020 . 1 . . . . . 37 ILE HG2 . 50751 1 140 . 1 . 1 23 23 ILE HG23 H 1 0.752 0.020 . 1 . . . . . 37 ILE HG2 . 50751 1 141 . 1 . 1 23 23 ILE CA C 13 66.737 0.3 . 1 . . . . . 37 ILE CA . 50751 1 142 . 1 . 1 23 23 ILE CB C 13 39.090 0.3 . 1 . . . . . 37 ILE CB . 50751 1 143 . 1 . 1 23 23 ILE CG1 C 13 29.035 0.3 . 1 . . . . . 37 ILE CG1 . 50751 1 144 . 1 . 1 23 23 ILE CG2 C 13 17.263 0.3 . 1 . . . . . 37 ILE CG2 . 50751 1 145 . 1 . 1 23 23 ILE CD1 C 13 14.502 0.3 . 1 . . . . . 37 ILE CD1 . 50751 1 146 . 1 . 1 23 23 ILE N N 15 120.001 0.3 . 1 . . . . . 37 ILE N . 50751 1 147 . 1 . 1 24 24 THR H H 1 8.494 0.020 . 1 . . . . . 38 THR H . 50751 1 148 . 1 . 1 24 24 THR HA H 1 3.785 0.020 . 1 . . . . . 38 THR HA . 50751 1 149 . 1 . 1 24 24 THR HB H 1 4.376 0.020 . 1 . . . . . 38 THR HB . 50751 1 150 . 1 . 1 24 24 THR HG21 H 1 1.279 0.020 . 1 . . . . . 38 THR HG2 . 50751 1 151 . 1 . 1 24 24 THR HG22 H 1 1.279 0.020 . 1 . . . . . 38 THR HG2 . 50751 1 152 . 1 . 1 24 24 THR HG23 H 1 1.279 0.020 . 1 . . . . . 38 THR HG2 . 50751 1 153 . 1 . 1 24 24 THR CA C 13 66.676 0.3 . 1 . . . . . 38 THR CA . 50751 1 154 . 1 . 1 24 24 THR CB C 13 68.082 0.3 . 1 . . . . . 38 THR CB . 50751 1 155 . 1 . 1 24 24 THR CG2 C 13 21.430 0.3 . 1 . . . . . 38 THR CG2 . 50751 1 156 . 1 . 1 24 24 THR N N 15 112.950 0.3 . 1 . . . . . 38 THR N . 50751 1 157 . 1 . 1 25 25 ASN H H 1 8.952 0.020 . 1 . . . . . 39 ASN H . 50751 1 158 . 1 . 1 25 25 ASN HA H 1 4.525 0.020 . 1 . . . . . 39 ASN HA . 50751 1 159 . 1 . 1 25 25 ASN HB2 H 1 2.857 0.020 . 2 . . . . . 39 ASN HB2 . 50751 1 160 . 1 . 1 25 25 ASN HB3 H 1 2.752 0.020 . 2 . . . . . 39 ASN HB3 . 50751 1 161 . 1 . 1 25 25 ASN CA C 13 56.046 0.3 . 1 . . . . . 39 ASN CA . 50751 1 162 . 1 . 1 25 25 ASN CB C 13 38.071 0.3 . 1 . . . . . 39 ASN CB . 50751 1 163 . 1 . 1 25 25 ASN N N 15 121.419 0.3 . 1 . . . . . 39 ASN N . 50751 1 164 . 1 . 1 26 26 GLU H H 1 7.851 0.020 . 1 . . . . . 40 GLU H . 50751 1 165 . 1 . 1 26 26 GLU HA H 1 4.061 0.020 . 1 . . . . . 40 GLU HA . 50751 1 166 . 1 . 1 26 26 GLU HB2 H 1 2.208 0.020 . 1 . . . . . 40 GLU HB2 . 50751 1 167 . 1 . 1 26 26 GLU HB3 H 1 2.208 0.020 . 1 . . . . . 40 GLU HB3 . 50751 1 168 . 1 . 1 26 26 GLU HG2 H 1 2.404 0.020 . 1 . . . . . 40 GLU HG2 . 50751 1 169 . 1 . 1 26 26 GLU HG3 H 1 2.404 0.020 . 1 . . . . . 40 GLU HG3 . 50751 1 170 . 1 . 1 26 26 GLU CA C 13 59.218 0.3 . 1 . . . . . 40 GLU CA . 50751 1 171 . 1 . 1 26 26 GLU CB C 13 29.386 0.3 . 1 . . . . . 40 GLU CB . 50751 1 172 . 1 . 1 26 26 GLU CG C 13 36.306 0.3 . 1 . . . . . 40 GLU CG . 50751 1 173 . 1 . 1 26 26 GLU N N 15 121.907 0.3 . 1 . . . . . 40 GLU N . 50751 1 174 . 1 . 1 27 27 ILE H H 1 8.197 0.020 . 1 . . . . . 41 ILE H . 50751 1 175 . 1 . 1 27 27 ILE HA H 1 3.501 0.020 . 1 . . . . . 41 ILE HA . 50751 1 176 . 1 . 1 27 27 ILE HB H 1 1.987 0.020 . 1 . . . . . 41 ILE HB . 50751 1 177 . 1 . 1 27 27 ILE HG12 H 1 0.953 0.020 . 1 . . . . . 41 ILE HG12 . 50751 1 178 . 1 . 1 27 27 ILE HG13 H 1 0.953 0.020 . 1 . . . . . 41 ILE HG13 . 50751 1 179 . 1 . 1 27 27 ILE HG21 H 1 0.838 0.020 . 1 . . . . . 41 ILE HG2 . 50751 1 180 . 1 . 1 27 27 ILE HG22 H 1 0.838 0.020 . 1 . . . . . 41 ILE HG2 . 50751 1 181 . 1 . 1 27 27 ILE HG23 H 1 0.838 0.020 . 1 . . . . . 41 ILE HG2 . 50751 1 182 . 1 . 1 27 27 ILE HD11 H 1 0.872 0.020 . 1 . . . . . 41 ILE HD1 . 50751 1 183 . 1 . 1 27 27 ILE HD12 H 1 0.872 0.020 . 1 . . . . . 41 ILE HD1 . 50751 1 184 . 1 . 1 27 27 ILE HD13 H 1 0.872 0.020 . 1 . . . . . 41 ILE HD1 . 50751 1 185 . 1 . 1 27 27 ILE CA C 13 66.176 0.3 . 1 . . . . . 41 ILE CA . 50751 1 186 . 1 . 1 27 27 ILE CB C 13 38.480 0.3 . 1 . . . . . 41 ILE CB . 50751 1 187 . 1 . 1 27 27 ILE CG1 C 13 30.115 0.3 . 1 . . . . . 41 ILE CG1 . 50751 1 188 . 1 . 1 27 27 ILE CG2 C 13 17.609 0.3 . 1 . . . . . 41 ILE CG2 . 50751 1 189 . 1 . 1 27 27 ILE CD1 C 13 13.609 0.3 . 1 . . . . . 41 ILE CD1 . 50751 1 190 . 1 . 1 27 27 ILE N N 15 120.178 0.3 . 1 . . . . . 41 ILE N . 50751 1 191 . 1 . 1 28 28 GLU H H 1 8.154 0.020 . 1 . . . . . 42 GLU H . 50751 1 192 . 1 . 1 28 28 GLU HA H 1 3.937 0.020 . 1 . . . . . 42 GLU HA . 50751 1 193 . 1 . 1 28 28 GLU HB2 H 1 2.130 0.020 . 1 . . . . . 42 GLU HB2 . 50751 1 194 . 1 . 1 28 28 GLU HB3 H 1 2.130 0.020 . 1 . . . . . 42 GLU HB3 . 50751 1 195 . 1 . 1 28 28 GLU HG2 H 1 2.407 0.020 . 1 . . . . . 42 GLU HG2 . 50751 1 196 . 1 . 1 28 28 GLU HG3 H 1 2.407 0.020 . 1 . . . . . 42 GLU HG3 . 50751 1 197 . 1 . 1 28 28 GLU C C 13 179.750 0.3 . 1 . . . . . 42 GLU C . 50751 1 198 . 1 . 1 28 28 GLU CA C 13 59.699 0.3 . 1 . . . . . 42 GLU CA . 50751 1 199 . 1 . 1 28 28 GLU CB C 13 29.145 0.3 . 1 . . . . . 42 GLU CB . 50751 1 200 . 1 . 1 28 28 GLU CG C 13 36.646 0.3 . 1 . . . . . 42 GLU CG . 50751 1 201 . 1 . 1 28 28 GLU N N 15 117.875 0.3 . 1 . . . . . 42 GLU N . 50751 1 202 . 1 . 1 29 29 LYS H H 1 7.840 0.020 . 1 . . . . . 43 LYS H . 50751 1 203 . 1 . 1 29 29 LYS HA H 1 3.924 0.020 . 1 . . . . . 43 LYS HA . 50751 1 204 . 1 . 1 29 29 LYS HB2 H 1 2.006 0.020 . 1 . . . . . 43 LYS HB2 . 50751 1 205 . 1 . 1 29 29 LYS HB3 H 1 2.006 0.020 . 1 . . . . . 43 LYS HB3 . 50751 1 206 . 1 . 1 29 29 LYS HG2 H 1 1.577 0.020 . 1 . . . . . 43 LYS HG2 . 50751 1 207 . 1 . 1 29 29 LYS HG3 H 1 1.577 0.020 . 1 . . . . . 43 LYS HG3 . 50751 1 208 . 1 . 1 29 29 LYS HD2 H 1 1.738 0.020 . 1 . . . . . 43 LYS HD2 . 50751 1 209 . 1 . 1 29 29 LYS HD3 H 1 1.738 0.020 . 1 . . . . . 43 LYS HD3 . 50751 1 210 . 1 . 1 29 29 LYS HE2 H 1 3.055 0.020 . 1 . . . . . 43 LYS HE2 . 50751 1 211 . 1 . 1 29 29 LYS HE3 H 1 3.055 0.020 . 1 . . . . . 43 LYS HE3 . 50751 1 212 . 1 . 1 29 29 LYS CA C 13 60.301 0.3 . 1 . . . . . 43 LYS CA . 50751 1 213 . 1 . 1 29 29 LYS CB C 13 32.651 0.3 . 1 . . . . . 43 LYS CB . 50751 1 214 . 1 . 1 29 29 LYS CG C 13 25.428 0.3 . 1 . . . . . 43 LYS CG . 50751 1 215 . 1 . 1 29 29 LYS CD C 13 29.166 0.3 . 1 . . . . . 43 LYS CD . 50751 1 216 . 1 . 1 29 29 LYS CE C 13 42.055 0.3 . 1 . . . . . 43 LYS CE . 50751 1 217 . 1 . 1 29 29 LYS N N 15 119.431 0.3 . 1 . . . . . 43 LYS N . 50751 1 218 . 1 . 1 30 30 ALA H H 1 8.362 0.020 . 1 . . . . . 44 ALA H . 50751 1 219 . 1 . 1 30 30 ALA HA H 1 4.151 0.020 . 1 . . . . . 44 ALA HA . 50751 1 220 . 1 . 1 30 30 ALA HB1 H 1 1.545 0.020 . 1 . . . . . 44 ALA HB . 50751 1 221 . 1 . 1 30 30 ALA HB2 H 1 1.545 0.020 . 1 . . . . . 44 ALA HB . 50751 1 222 . 1 . 1 30 30 ALA HB3 H 1 1.545 0.020 . 1 . . . . . 44 ALA HB . 50751 1 223 . 1 . 1 30 30 ALA CA C 13 55.343 0.3 . 1 . . . . . 44 ALA CA . 50751 1 224 . 1 . 1 30 30 ALA CB C 13 18.478 0.3 . 1 . . . . . 44 ALA CB . 50751 1 225 . 1 . 1 30 30 ALA N N 15 120.610 0.3 . 1 . . . . . 44 ALA N . 50751 1 226 . 1 . 1 31 31 ILE H H 1 8.436 0.020 . 1 . . . . . 45 ILE H . 50751 1 227 . 1 . 1 31 31 ILE HA H 1 3.733 0.020 . 1 . . . . . 45 ILE HA . 50751 1 228 . 1 . 1 31 31 ILE HB H 1 1.941 0.020 . 1 . . . . . 45 ILE HB . 50751 1 229 . 1 . 1 31 31 ILE HG12 H 1 0.958 0.020 . 1 . . . . . 45 ILE HG12 . 50751 1 230 . 1 . 1 31 31 ILE HG13 H 1 0.958 0.020 . 1 . . . . . 45 ILE HG13 . 50751 1 231 . 1 . 1 31 31 ILE HG21 H 1 0.836 0.020 . 1 . . . . . 45 ILE HG2 . 50751 1 232 . 1 . 1 31 31 ILE HG22 H 1 0.836 0.020 . 1 . . . . . 45 ILE HG2 . 50751 1 233 . 1 . 1 31 31 ILE HG23 H 1 0.836 0.020 . 1 . . . . . 45 ILE HG2 . 50751 1 234 . 1 . 1 31 31 ILE HD11 H 1 0.720 0.020 . 1 . . . . . 45 ILE HD1 . 50751 1 235 . 1 . 1 31 31 ILE HD12 H 1 0.720 0.020 . 1 . . . . . 45 ILE HD1 . 50751 1 236 . 1 . 1 31 31 ILE HD13 H 1 0.720 0.020 . 1 . . . . . 45 ILE HD1 . 50751 1 237 . 1 . 1 31 31 ILE CA C 13 65.240 0.3 . 1 . . . . . 45 ILE CA . 50751 1 238 . 1 . 1 31 31 ILE CB C 13 37.527 0.3 . 1 . . . . . 45 ILE CB . 50751 1 239 . 1 . 1 31 31 ILE CG1 C 13 28.950 0.3 . 1 . . . . . 45 ILE CG1 . 50751 1 240 . 1 . 1 31 31 ILE CG2 C 13 17.321 0.3 . 1 . . . . . 45 ILE CG2 . 50751 1 241 . 1 . 1 31 31 ILE CD1 C 13 13.148 0.3 . 1 . . . . . 45 ILE CD1 . 50751 1 242 . 1 . 1 31 31 ILE N N 15 118.863 0.3 . 1 . . . . . 45 ILE N . 50751 1 243 . 1 . 1 32 32 LYS H H 1 8.433 0.020 . 1 . . . . . 46 LYS H . 50751 1 244 . 1 . 1 32 32 LYS HA H 1 3.822 0.020 . 1 . . . . . 46 LYS HA . 50751 1 245 . 1 . 1 32 32 LYS HB2 H 1 1.806 0.020 . 1 . . . . . 46 LYS HB2 . 50751 1 246 . 1 . 1 32 32 LYS HB3 H 1 1.806 0.020 . 1 . . . . . 46 LYS HB3 . 50751 1 247 . 1 . 1 32 32 LYS HG2 H 1 1.499 0.020 . 1 . . . . . 46 LYS HG2 . 50751 1 248 . 1 . 1 32 32 LYS HG3 H 1 1.499 0.020 . 1 . . . . . 46 LYS HG3 . 50751 1 249 . 1 . 1 32 32 LYS HD2 H 1 1.721 0.020 . 1 . . . . . 46 LYS HD2 . 50751 1 250 . 1 . 1 32 32 LYS HD3 H 1 1.721 0.020 . 1 . . . . . 46 LYS HD3 . 50751 1 251 . 1 . 1 32 32 LYS HE2 H 1 3.050 0.020 . 1 . . . . . 46 LYS HE2 . 50751 1 252 . 1 . 1 32 32 LYS HE3 H 1 3.050 0.020 . 1 . . . . . 46 LYS HE3 . 50751 1 253 . 1 . 1 32 32 LYS C C 13 178.115 0.3 . 1 . . . . . 46 LYS C . 50751 1 254 . 1 . 1 32 32 LYS CA C 13 60.295 0.3 . 1 . . . . . 46 LYS CA . 50751 1 255 . 1 . 1 32 32 LYS CB C 13 32.611 0.3 . 1 . . . . . 46 LYS CB . 50751 1 256 . 1 . 1 32 32 LYS CG C 13 25.609 0.3 . 1 . . . . . 46 LYS CG . 50751 1 257 . 1 . 1 32 32 LYS CD C 13 29.401 0.3 . 1 . . . . . 46 LYS CD . 50751 1 258 . 1 . 1 32 32 LYS CE C 13 41.862 0.3 . 1 . . . . . 46 LYS CE . 50751 1 259 . 1 . 1 32 32 LYS N N 15 120.770 0.3 . 1 . . . . . 46 LYS N . 50751 1 260 . 1 . 1 34 34 ALA H H 1 8.151 0.020 . 1 . . . . . 48 ALA H . 50751 1 261 . 1 . 1 34 34 ALA HA H 1 4.071 0.020 . 1 . . . . . 48 ALA HA . 50751 1 262 . 1 . 1 34 34 ALA HB1 H 1 1.429 0.020 . 1 . . . . . 48 ALA HB . 50751 1 263 . 1 . 1 34 34 ALA HB2 H 1 1.429 0.020 . 1 . . . . . 48 ALA HB . 50751 1 264 . 1 . 1 34 34 ALA HB3 H 1 1.429 0.020 . 1 . . . . . 48 ALA HB . 50751 1 265 . 1 . 1 34 34 ALA CA C 13 55.158 0.3 . 1 . . . . . 48 ALA CA . 50751 1 266 . 1 . 1 34 34 ALA CB C 13 17.163 0.3 . 1 . . . . . 48 ALA CB . 50751 1 267 . 1 . 1 34 34 ALA N N 15 122.713 0.3 . 1 . . . . . 48 ALA N . 50751 1 268 . 1 . 1 35 35 GLU H H 1 8.489 0.020 . 1 . . . . . 49 GLU H . 50751 1 269 . 1 . 1 35 35 GLU HA H 1 4.209 0.020 . 1 . . . . . 49 GLU HA . 50751 1 270 . 1 . 1 35 35 GLU HB2 H 1 2.045 0.020 . 1 . . . . . 49 GLU HB2 . 50751 1 271 . 1 . 1 35 35 GLU HB3 H 1 2.045 0.020 . 1 . . . . . 49 GLU HB3 . 50751 1 272 . 1 . 1 35 35 GLU HG2 H 1 2.426 0.020 . 1 . . . . . 49 GLU HG2 . 50751 1 273 . 1 . 1 35 35 GLU HG3 H 1 2.426 0.020 . 1 . . . . . 49 GLU HG3 . 50751 1 274 . 1 . 1 35 35 GLU CA C 13 59.516 0.3 . 1 . . . . . 49 GLU CA . 50751 1 275 . 1 . 1 35 35 GLU CB C 13 29.531 0.3 . 1 . . . . . 49 GLU CB . 50751 1 276 . 1 . 1 35 35 GLU CG C 13 36.558 0.3 . 1 . . . . . 49 GLU CG . 50751 1 277 . 1 . 1 35 35 GLU N N 15 120.308 0.3 . 1 . . . . . 49 GLU N . 50751 1 278 . 1 . 1 36 36 ASP H H 1 8.664 0.020 . 1 . . . . . 50 ASP H . 50751 1 279 . 1 . 1 36 36 ASP HA H 1 4.524 0.020 . 1 . . . . . 50 ASP HA . 50751 1 280 . 1 . 1 36 36 ASP HB2 H 1 2.799 0.020 . 1 . . . . . 50 ASP HB2 . 50751 1 281 . 1 . 1 36 36 ASP HB3 H 1 2.799 0.020 . 1 . . . . . 50 ASP HB3 . 50751 1 282 . 1 . 1 36 36 ASP C C 13 177.334 0.3 . 1 . . . . . 50 ASP C . 50751 1 283 . 1 . 1 36 36 ASP CA C 13 56.789 0.3 . 1 . . . . . 50 ASP CA . 50751 1 284 . 1 . 1 36 36 ASP CB C 13 40.507 0.3 . 1 . . . . . 50 ASP CB . 50751 1 285 . 1 . 1 36 36 ASP N N 15 121.252 0.3 . 1 . . . . . 50 ASP N . 50751 1 286 . 1 . 1 37 37 ALA H H 1 7.700 0.020 . 1 . . . . . 51 ALA H . 50751 1 287 . 1 . 1 37 37 ALA HA H 1 4.491 0.020 . 1 . . . . . 51 ALA HA . 50751 1 288 . 1 . 1 37 37 ALA HB1 H 1 1.605 0.020 . 1 . . . . . 51 ALA HB . 50751 1 289 . 1 . 1 37 37 ALA HB2 H 1 1.605 0.020 . 1 . . . . . 51 ALA HB . 50751 1 290 . 1 . 1 37 37 ALA HB3 H 1 1.605 0.020 . 1 . . . . . 51 ALA HB . 50751 1 291 . 1 . 1 37 37 ALA CA C 13 52.286 0.3 . 1 . . . . . 51 ALA CA . 50751 1 292 . 1 . 1 37 37 ALA CB C 13 19.016 0.3 . 1 . . . . . 51 ALA CB . 50751 1 293 . 1 . 1 37 37 ALA N N 15 121.085 0.3 . 1 . . . . . 51 ALA N . 50751 1 294 . 1 . 1 38 38 GLY H H 1 8.063 0.020 . 1 . . . . . 52 GLY H . 50751 1 295 . 1 . 1 38 38 GLY HA2 H 1 4.181 0.020 . 2 . . . . . 52 GLY HA2 . 50751 1 296 . 1 . 1 38 38 GLY HA3 H 1 3.912 0.020 . 2 . . . . . 52 GLY HA3 . 50751 1 297 . 1 . 1 38 38 GLY CA C 13 45.799 0.3 . 1 . . . . . 52 GLY CA . 50751 1 298 . 1 . 1 38 38 GLY N N 15 107.116 0.3 . 1 . . . . . 52 GLY N . 50751 1 299 . 1 . 1 39 39 VAL H H 1 8.096 0.020 . 1 . . . . . 53 VAL H . 50751 1 300 . 1 . 1 39 39 VAL HA H 1 4.136 0.020 . 1 . . . . . 53 VAL HA . 50751 1 301 . 1 . 1 39 39 VAL HB H 1 2.057 0.020 . 1 . . . . . 53 VAL HB . 50751 1 302 . 1 . 1 39 39 VAL HG11 H 1 0.930 0.020 . 1 . . . . . 53 VAL HG1 . 50751 1 303 . 1 . 1 39 39 VAL HG12 H 1 0.930 0.020 . 1 . . . . . 53 VAL HG1 . 50751 1 304 . 1 . 1 39 39 VAL HG13 H 1 0.930 0.020 . 1 . . . . . 53 VAL HG1 . 50751 1 305 . 1 . 1 39 39 VAL HG21 H 1 0.930 0.020 . 1 . . . . . 53 VAL HG2 . 50751 1 306 . 1 . 1 39 39 VAL HG22 H 1 0.930 0.020 . 1 . . . . . 53 VAL HG2 . 50751 1 307 . 1 . 1 39 39 VAL HG23 H 1 0.930 0.020 . 1 . . . . . 53 VAL HG2 . 50751 1 308 . 1 . 1 39 39 VAL CA C 13 62.119 0.3 . 1 . . . . . 53 VAL CA . 50751 1 309 . 1 . 1 39 39 VAL CB C 13 32.609 0.3 . 1 . . . . . 53 VAL CB . 50751 1 310 . 1 . 1 39 39 VAL N N 15 120.940 0.3 . 1 . . . . . 53 VAL N . 50751 1 311 . 1 . 1 40 40 LYS H H 1 8.320 0.020 . 1 . . . . . 54 LYS H . 50751 1 312 . 1 . 1 40 40 LYS HA H 1 4.507 0.020 . 1 . . . . . 54 LYS HA . 50751 1 313 . 1 . 1 40 40 LYS HB2 H 1 2.068 0.020 . 1 . . . . . 54 LYS HB2 . 50751 1 314 . 1 . 1 40 40 LYS HB3 H 1 2.068 0.020 . 1 . . . . . 54 LYS HB3 . 50751 1 315 . 1 . 1 40 40 LYS HG2 H 1 1.569 0.020 . 1 . . . . . 54 LYS HG2 . 50751 1 316 . 1 . 1 40 40 LYS HG3 H 1 1.569 0.020 . 1 . . . . . 54 LYS HG3 . 50751 1 317 . 1 . 1 40 40 LYS HD2 H 1 1.737 0.020 . 1 . . . . . 54 LYS HD2 . 50751 1 318 . 1 . 1 40 40 LYS HD3 H 1 1.737 0.020 . 1 . . . . . 54 LYS HD3 . 50751 1 319 . 1 . 1 40 40 LYS HE2 H 1 2.908 0.020 . 1 . . . . . 54 LYS HE2 . 50751 1 320 . 1 . 1 40 40 LYS HE3 H 1 2.908 0.020 . 1 . . . . . 54 LYS HE3 . 50751 1 321 . 1 . 1 40 40 LYS CA C 13 55.460 0.3 . 1 . . . . . 54 LYS CA . 50751 1 322 . 1 . 1 40 40 LYS CB C 13 32.523 0.3 . 1 . . . . . 54 LYS CB . 50751 1 323 . 1 . 1 40 40 LYS CG C 13 25.126 0.3 . 1 . . . . . 54 LYS CG . 50751 1 324 . 1 . 1 40 40 LYS CD C 13 29.158 0.3 . 1 . . . . . 54 LYS CD . 50751 1 325 . 1 . 1 40 40 LYS CE C 13 42.080 0.3 . 1 . . . . . 54 LYS CE . 50751 1 326 . 1 . 1 40 40 LYS N N 15 124.675 0.3 . 1 . . . . . 54 LYS N . 50751 1 327 . 1 . 1 41 41 THR H H 1 8.275 0.020 . 1 . . . . . 55 THR H . 50751 1 328 . 1 . 1 41 41 THR HA H 1 4.136 0.020 . 1 . . . . . 55 THR HA . 50751 1 329 . 1 . 1 41 41 THR HB H 1 4.338 0.020 . 1 . . . . . 55 THR HB . 50751 1 330 . 1 . 1 41 41 THR HG21 H 1 1.342 0.020 . 1 . . . . . 55 THR HG2 . 50751 1 331 . 1 . 1 41 41 THR HG22 H 1 1.342 0.020 . 1 . . . . . 55 THR HG2 . 50751 1 332 . 1 . 1 41 41 THR HG23 H 1 1.342 0.020 . 1 . . . . . 55 THR HG2 . 50751 1 333 . 1 . 1 41 41 THR CA C 13 64.020 0.3 . 1 . . . . . 55 THR CA . 50751 1 334 . 1 . 1 41 41 THR CB C 13 69.133 0.3 . 1 . . . . . 55 THR CB . 50751 1 335 . 1 . 1 41 41 THR CG2 C 13 22.100 0.3 . 1 . . . . . 55 THR CG2 . 50751 1 336 . 1 . 1 41 41 THR N N 15 113.382 0.3 . 1 . . . . . 55 THR N . 50751 1 337 . 1 . 1 42 42 ASP H H 1 8.332 0.020 . 1 . . . . . 56 ASP H . 50751 1 338 . 1 . 1 42 42 ASP HA H 1 4.503 0.020 . 1 . . . . . 56 ASP HA . 50751 1 339 . 1 . 1 42 42 ASP HB2 H 1 2.769 0.020 . 1 . . . . . 56 ASP HB2 . 50751 1 340 . 1 . 1 42 42 ASP HB3 H 1 2.769 0.020 . 1 . . . . . 56 ASP HB3 . 50751 1 341 . 1 . 1 42 42 ASP CA C 13 55.261 0.3 . 1 . . . . . 56 ASP CA . 50751 1 342 . 1 . 1 42 42 ASP CB C 13 40.304 0.3 . 1 . . . . . 56 ASP CB . 50751 1 343 . 1 . 1 42 42 ASP N N 15 120.582 0.3 . 1 . . . . . 56 ASP N . 50751 1 344 . 1 . 1 43 43 ALA H H 1 8.046 0.020 . 1 . . . . . 57 ALA H . 50751 1 345 . 1 . 1 43 43 ALA HA H 1 4.213 0.020 . 1 . . . . . 57 ALA HA . 50751 1 346 . 1 . 1 43 43 ALA HB1 H 1 1.287 0.020 . 1 . . . . . 57 ALA HB . 50751 1 347 . 1 . 1 43 43 ALA HB2 H 1 1.287 0.020 . 1 . . . . . 57 ALA HB . 50751 1 348 . 1 . 1 43 43 ALA HB3 H 1 1.287 0.020 . 1 . . . . . 57 ALA HB . 50751 1 349 . 1 . 1 43 43 ALA CA C 13 53.722 0.3 . 1 . . . . . 57 ALA CA . 50751 1 350 . 1 . 1 43 43 ALA CB C 13 19.099 0.3 . 1 . . . . . 57 ALA CB . 50751 1 351 . 1 . 1 43 43 ALA N N 15 122.009 0.3 . 1 . . . . . 57 ALA N . 50751 1 352 . 1 . 1 44 44 PHE H H 1 8.003 0.020 . 1 . . . . . 58 PHE H . 50751 1 353 . 1 . 1 44 44 PHE HA H 1 4.387 0.020 . 1 . . . . . 58 PHE HA . 50751 1 354 . 1 . 1 44 44 PHE HB2 H 1 3.114 0.020 . 1 . . . . . 58 PHE HB2 . 50751 1 355 . 1 . 1 44 44 PHE HB3 H 1 3.114 0.020 . 1 . . . . . 58 PHE HB3 . 50751 1 356 . 1 . 1 44 44 PHE CA C 13 59.681 0.3 . 1 . . . . . 58 PHE CA . 50751 1 357 . 1 . 1 44 44 PHE CB C 13 38.601 0.3 . 1 . . . . . 58 PHE CB . 50751 1 358 . 1 . 1 44 44 PHE N N 15 115.120 0.3 . 1 . . . . . 58 PHE N . 50751 1 359 . 1 . 1 45 45 THR H H 1 7.719 0.020 . 1 . . . . . 59 THR H . 50751 1 360 . 1 . 1 45 45 THR HA H 1 4.425 0.020 . 1 . . . . . 59 THR HA . 50751 1 361 . 1 . 1 45 45 THR HB H 1 4.318 0.020 . 1 . . . . . 59 THR HB . 50751 1 362 . 1 . 1 45 45 THR HG21 H 1 1.274 0.020 . 1 . . . . . 59 THR HG2 . 50751 1 363 . 1 . 1 45 45 THR HG22 H 1 1.274 0.020 . 1 . . . . . 59 THR HG2 . 50751 1 364 . 1 . 1 45 45 THR HG23 H 1 1.274 0.020 . 1 . . . . . 59 THR HG2 . 50751 1 365 . 1 . 1 45 45 THR CA C 13 62.408 0.3 . 1 . . . . . 59 THR CA . 50751 1 366 . 1 . 1 45 45 THR CB C 13 69.589 0.3 . 1 . . . . . 59 THR CB . 50751 1 367 . 1 . 1 45 45 THR CG2 C 13 21.907 0.3 . 1 . . . . . 59 THR CG2 . 50751 1 368 . 1 . 1 45 45 THR N N 15 111.647 0.3 . 1 . . . . . 59 THR N . 50751 1 369 . 1 . 1 46 46 GLU H H 1 8.425 0.020 . 1 . . . . . 60 GLU H . 50751 1 370 . 1 . 1 46 46 GLU HA H 1 4.424 0.020 . 1 . . . . . 60 GLU HA . 50751 1 371 . 1 . 1 46 46 GLU HB2 H 1 2.194 0.020 . 1 . . . . . 60 GLU HB2 . 50751 1 372 . 1 . 1 46 46 GLU HB3 H 1 2.194 0.020 . 1 . . . . . 60 GLU HB3 . 50751 1 373 . 1 . 1 46 46 GLU HG2 H 1 2.409 0.020 . 1 . . . . . 60 GLU HG2 . 50751 1 374 . 1 . 1 46 46 GLU HG3 H 1 2.409 0.020 . 1 . . . . . 60 GLU HG3 . 50751 1 375 . 1 . 1 46 46 GLU CA C 13 56.284 0.3 . 1 . . . . . 60 GLU CA . 50751 1 376 . 1 . 1 46 46 GLU CB C 13 29.428 0.3 . 1 . . . . . 60 GLU CB . 50751 1 377 . 1 . 1 46 46 GLU CG C 13 36.302 0.3 . 1 . . . . . 60 GLU CG . 50751 1 378 . 1 . 1 46 46 GLU N N 15 122.163 0.3 . 1 . . . . . 60 GLU N . 50751 1 379 . 1 . 1 47 47 THR H H 1 8.197 0.020 . 1 . . . . . 61 THR H . 50751 1 380 . 1 . 1 47 47 THR HA H 1 4.400 0.020 . 1 . . . . . 61 THR HA . 50751 1 381 . 1 . 1 47 47 THR HB H 1 4.316 0.020 . 1 . . . . . 61 THR HB . 50751 1 382 . 1 . 1 47 47 THR HG21 H 1 1.276 0.020 . 1 . . . . . 61 THR HG2 . 50751 1 383 . 1 . 1 47 47 THR HG22 H 1 1.276 0.020 . 1 . . . . . 61 THR HG2 . 50751 1 384 . 1 . 1 47 47 THR HG23 H 1 1.276 0.020 . 1 . . . . . 61 THR HG2 . 50751 1 385 . 1 . 1 47 47 THR CA C 13 62.450 0.3 . 1 . . . . . 61 THR CA . 50751 1 386 . 1 . 1 47 47 THR CB C 13 69.556 0.3 . 1 . . . . . 61 THR CB . 50751 1 387 . 1 . 1 47 47 THR CG2 C 13 21.726 0.3 . 1 . . . . . 61 THR CG2 . 50751 1 388 . 1 . 1 47 47 THR N N 15 114.398 0.3 . 1 . . . . . 61 THR N . 50751 1 389 . 1 . 1 48 48 GLN H H 1 8.164 0.020 . 1 . . . . . 62 GLN H . 50751 1 390 . 1 . 1 48 48 GLN HA H 1 4.076 0.020 . 1 . . . . . 62 GLN HA . 50751 1 391 . 1 . 1 48 48 GLN HB2 H 1 2.203 0.020 . 1 . . . . . 62 GLN HB2 . 50751 1 392 . 1 . 1 48 48 GLN HB3 H 1 2.203 0.020 . 1 . . . . . 62 GLN HB3 . 50751 1 393 . 1 . 1 48 48 GLN HG2 H 1 2.420 0.020 . 1 . . . . . 62 GLN HG2 . 50751 1 394 . 1 . 1 48 48 GLN HG3 H 1 2.420 0.020 . 1 . . . . . 62 GLN HG3 . 50751 1 395 . 1 . 1 48 48 GLN HE21 H 1 7.731 0.020 . 1 . . . . . 62 GLN HE21 . 50751 1 396 . 1 . 1 48 48 GLN HE22 H 1 6.620 0.020 . 1 . . . . . 62 GLN HE22 . 50751 1 397 . 1 . 1 48 48 GLN CA C 13 59.377 0.3 . 1 . . . . . 62 GLN CA . 50751 1 398 . 1 . 1 48 48 GLN CB C 13 29.601 0.3 . 1 . . . . . 62 GLN CB . 50751 1 399 . 1 . 1 48 48 GLN CG C 13 33.763 0.3 . 1 . . . . . 62 GLN CG . 50751 1 400 . 1 . 1 48 48 GLN N N 15 122.571 0.3 . 1 . . . . . 62 GLN N . 50751 1 401 . 1 . 1 48 48 GLN NE2 N 15 110.696 0.3 . 1 . . . . . 62 GLN NE2 . 50751 1 402 . 1 . 1 50 50 GLY H H 1 8.427 0.020 . 1 . . . . . 64 GLY H . 50751 1 403 . 1 . 1 50 50 GLY HA2 H 1 4.039 0.020 . 1 . . . . . 64 GLY HA2 . 50751 1 404 . 1 . 1 50 50 GLY HA3 H 1 4.039 0.020 . 1 . . . . . 64 GLY HA3 . 50751 1 405 . 1 . 1 50 50 GLY CA C 13 45.806 0.3 . 1 . . . . . 64 GLY CA . 50751 1 406 . 1 . 1 50 50 GLY N N 15 111.042 0.3 . 1 . . . . . 64 GLY N . 50751 1 407 . 1 . 1 51 51 GLY H H 1 8.337 0.020 . 1 . . . . . 65 GLY H . 50751 1 408 . 1 . 1 51 51 GLY HA2 H 1 4.038 0.020 . 1 . . . . . 65 GLY HA2 . 50751 1 409 . 1 . 1 51 51 GLY HA3 H 1 4.038 0.020 . 1 . . . . . 65 GLY HA3 . 50751 1 410 . 1 . 1 51 51 GLY CA C 13 45.641 0.3 . 1 . . . . . 65 GLY CA . 50751 1 411 . 1 . 1 51 51 GLY N N 15 108.776 0.3 . 1 . . . . . 65 GLY N . 50751 1 412 . 1 . 1 52 52 LYS H H 1 8.134 0.020 . 1 . . . . . 66 LYS H . 50751 1 413 . 1 . 1 52 52 LYS HA H 1 4.432 0.020 . 1 . . . . . 66 LYS HA . 50751 1 414 . 1 . 1 52 52 LYS HB2 H 1 1.917 0.020 . 1 . . . . . 66 LYS HB2 . 50751 1 415 . 1 . 1 52 52 LYS HB3 H 1 1.917 0.020 . 1 . . . . . 66 LYS HB3 . 50751 1 416 . 1 . 1 52 52 LYS HG2 H 1 1.453 0.020 . 1 . . . . . 66 LYS HG2 . 50751 1 417 . 1 . 1 52 52 LYS HG3 H 1 1.453 0.020 . 1 . . . . . 66 LYS HG3 . 50751 1 418 . 1 . 1 52 52 LYS HD2 H 1 1.732 0.020 . 1 . . . . . 66 LYS HD2 . 50751 1 419 . 1 . 1 52 52 LYS HD3 H 1 1.732 0.020 . 1 . . . . . 66 LYS HD3 . 50751 1 420 . 1 . 1 52 52 LYS HE2 H 1 3.052 0.020 . 1 . . . . . 66 LYS HE2 . 50751 1 421 . 1 . 1 52 52 LYS HE3 H 1 3.052 0.020 . 1 . . . . . 66 LYS HE3 . 50751 1 422 . 1 . 1 52 52 LYS CA C 13 56.345 0.3 . 1 . . . . . 66 LYS CA . 50751 1 423 . 1 . 1 52 52 LYS CB C 13 32.983 0.3 . 1 . . . . . 66 LYS CB . 50751 1 424 . 1 . 1 52 52 LYS CG C 13 24.963 0.3 . 1 . . . . . 66 LYS CG . 50751 1 425 . 1 . 1 52 52 LYS CD C 13 29.100 0.3 . 1 . . . . . 66 LYS CD . 50751 1 426 . 1 . 1 52 52 LYS CE C 13 42.199 0.3 . 1 . . . . . 66 LYS CE . 50751 1 427 . 1 . 1 52 52 LYS N N 15 120.525 0.3 . 1 . . . . . 66 LYS N . 50751 1 428 . 1 . 1 53 53 VAL H H 1 8.187 0.020 . 1 . . . . . 67 VAL H . 50751 1 429 . 1 . 1 53 53 VAL HA H 1 4.139 0.020 . 1 . . . . . 67 VAL HA . 50751 1 430 . 1 . 1 53 53 VAL HB H 1 2.145 0.020 . 1 . . . . . 67 VAL HB . 50751 1 431 . 1 . 1 53 53 VAL HG11 H 1 0.997 0.020 . 1 . . . . . 67 VAL HG1 . 50751 1 432 . 1 . 1 53 53 VAL HG12 H 1 0.997 0.020 . 1 . . . . . 67 VAL HG1 . 50751 1 433 . 1 . 1 53 53 VAL HG13 H 1 0.997 0.020 . 1 . . . . . 67 VAL HG1 . 50751 1 434 . 1 . 1 53 53 VAL HG21 H 1 0.997 0.020 . 1 . . . . . 67 VAL HG2 . 50751 1 435 . 1 . 1 53 53 VAL HG22 H 1 0.997 0.020 . 1 . . . . . 67 VAL HG2 . 50751 1 436 . 1 . 1 53 53 VAL HG23 H 1 0.997 0.020 . 1 . . . . . 67 VAL HG2 . 50751 1 437 . 1 . 1 53 53 VAL C C 13 176.776 0.3 . 1 . . . . . 67 VAL C . 50751 1 438 . 1 . 1 53 53 VAL CA C 13 63.028 0.3 . 1 . . . . . 67 VAL CA . 50751 1 439 . 1 . 1 53 53 VAL CB C 13 32.361 0.3 . 1 . . . . . 67 VAL CB . 50751 1 440 . 1 . 1 53 53 VAL CG1 C 13 21.184 0.3 . 1 . . . . . 67 VAL CG1 . 50751 1 441 . 1 . 1 53 53 VAL N N 15 120.853 0.3 . 1 . . . . . 67 VAL N . 50751 1 442 . 1 . 1 54 54 GLY H H 1 8.581 0.020 . 1 . . . . . 68 GLY H . 50751 1 443 . 1 . 1 54 54 GLY HA2 H 1 4.022 0.020 . 1 . . . . . 68 GLY HA2 . 50751 1 444 . 1 . 1 54 54 GLY HA3 H 1 4.022 0.020 . 1 . . . . . 68 GLY HA3 . 50751 1 445 . 1 . 1 54 54 GLY CA C 13 45.799 0.3 . 1 . . . . . 68 GLY CA . 50751 1 446 . 1 . 1 54 54 GLY N N 15 112.231 0.3 . 1 . . . . . 68 GLY N . 50751 1 447 . 1 . 1 55 55 GLY H H 1 8.300 0.020 . 1 . . . . . 69 GLY H . 50751 1 448 . 1 . 1 55 55 GLY HA2 H 1 4.022 0.020 . 1 . . . . . 69 GLY HA2 . 50751 1 449 . 1 . 1 55 55 GLY HA3 H 1 4.022 0.020 . 1 . . . . . 69 GLY HA3 . 50751 1 450 . 1 . 1 55 55 GLY CA C 13 46.549 0.3 . 1 . . . . . 69 GLY CA . 50751 1 451 . 1 . 1 55 55 GLY N N 15 108.102 0.3 . 1 . . . . . 69 GLY N . 50751 1 452 . 1 . 1 58 58 ILE H H 1 7.837 0.020 . 1 . . . . . 72 ILE H . 50751 1 453 . 1 . 1 58 58 ILE HA H 1 3.943 0.020 . 1 . . . . . 72 ILE HA . 50751 1 454 . 1 . 1 58 58 ILE HB H 1 1.911 0.020 . 1 . . . . . 72 ILE HB . 50751 1 455 . 1 . 1 58 58 ILE HG12 H 1 1.366 0.020 . 2 . . . . . 72 ILE HG12 . 50751 1 456 . 1 . 1 58 58 ILE HG13 H 1 0.956 0.020 . 2 . . . . . 72 ILE HG13 . 50751 1 457 . 1 . 1 58 58 ILE HG21 H 1 0.834 0.020 . 1 . . . . . 72 ILE HG2 . 50751 1 458 . 1 . 1 58 58 ILE HG22 H 1 0.834 0.020 . 1 . . . . . 72 ILE HG2 . 50751 1 459 . 1 . 1 58 58 ILE HG23 H 1 0.834 0.020 . 1 . . . . . 72 ILE HG2 . 50751 1 460 . 1 . 1 58 58 ILE HD11 H 1 0.546 0.020 . 1 . . . . . 72 ILE HD1 . 50751 1 461 . 1 . 1 58 58 ILE HD12 H 1 0.546 0.020 . 1 . . . . . 72 ILE HD1 . 50751 1 462 . 1 . 1 58 58 ILE HD13 H 1 0.546 0.020 . 1 . . . . . 72 ILE HD1 . 50751 1 463 . 1 . 1 58 58 ILE C C 13 177.363 0.3 . 1 . . . . . 72 ILE C . 50751 1 464 . 1 . 1 58 58 ILE CA C 13 63.197 0.3 . 1 . . . . . 72 ILE CA . 50751 1 465 . 1 . 1 58 58 ILE CB C 13 37.573 0.3 . 1 . . . . . 72 ILE CB . 50751 1 466 . 1 . 1 58 58 ILE CG1 C 13 28.047 0.3 . 1 . . . . . 72 ILE CG1 . 50751 1 467 . 1 . 1 58 58 ILE CG2 C 13 17.663 0.3 . 1 . . . . . 72 ILE CG2 . 50751 1 468 . 1 . 1 58 58 ILE CD1 C 13 12.155 0.3 . 1 . . . . . 72 ILE CD1 . 50751 1 469 . 1 . 1 58 58 ILE N N 15 120.912 0.3 . 1 . . . . . 72 ILE N . 50751 1 470 . 1 . 1 59 59 ARG H H 1 7.865 0.020 . 1 . . . . . 73 ARG H . 50751 1 471 . 1 . 1 59 59 ARG HA H 1 4.084 0.020 . 1 . . . . . 73 ARG HA . 50751 1 472 . 1 . 1 59 59 ARG HB2 H 1 1.926 0.020 . 1 . . . . . 73 ARG HB2 . 50751 1 473 . 1 . 1 59 59 ARG HB3 H 1 1.926 0.020 . 1 . . . . . 73 ARG HB3 . 50751 1 474 . 1 . 1 59 59 ARG HG2 H 1 1.705 0.020 . 1 . . . . . 73 ARG HG2 . 50751 1 475 . 1 . 1 59 59 ARG HG3 H 1 1.705 0.020 . 1 . . . . . 73 ARG HG3 . 50751 1 476 . 1 . 1 59 59 ARG HD2 H 1 3.240 0.020 . 1 . . . . . 73 ARG HD2 . 50751 1 477 . 1 . 1 59 59 ARG HD3 H 1 3.240 0.020 . 1 . . . . . 73 ARG HD3 . 50751 1 478 . 1 . 1 59 59 ARG CA C 13 60.012 0.3 . 1 . . . . . 73 ARG CA . 50751 1 479 . 1 . 1 59 59 ARG CB C 13 30.461 0.3 . 1 . . . . . 73 ARG CB . 50751 1 480 . 1 . 1 59 59 ARG CG C 13 27.415 0.3 . 1 . . . . . 73 ARG CG . 50751 1 481 . 1 . 1 59 59 ARG CD C 13 43.307 0.3 . 1 . . . . . 73 ARG CD . 50751 1 482 . 1 . 1 59 59 ARG N N 15 120.697 0.3 . 1 . . . . . 73 ARG N . 50751 1 483 . 1 . 1 60 60 ALA H H 1 7.943 0.020 . 1 . . . . . 74 ALA H . 50751 1 484 . 1 . 1 60 60 ALA HA H 1 4.373 0.020 . 1 . . . . . 74 ALA HA . 50751 1 485 . 1 . 1 60 60 ALA HB1 H 1 1.662 0.020 . 1 . . . . . 74 ALA HB . 50751 1 486 . 1 . 1 60 60 ALA HB2 H 1 1.662 0.020 . 1 . . . . . 74 ALA HB . 50751 1 487 . 1 . 1 60 60 ALA HB3 H 1 1.662 0.020 . 1 . . . . . 74 ALA HB . 50751 1 488 . 1 . 1 60 60 ALA CA C 13 55.016 0.3 . 1 . . . . . 74 ALA CA . 50751 1 489 . 1 . 1 60 60 ALA CB C 13 18.148 0.3 . 1 . . . . . 74 ALA CB . 50751 1 490 . 1 . 1 60 60 ALA N N 15 118.896 0.3 . 1 . . . . . 74 ALA N . 50751 1 491 . 1 . 1 61 61 ALA H H 1 8.026 0.020 . 1 . . . . . 75 ALA H . 50751 1 492 . 1 . 1 61 61 ALA HA H 1 4.595 0.020 . 1 . . . . . 75 ALA HA . 50751 1 493 . 1 . 1 61 61 ALA HB1 H 1 1.482 0.020 . 1 . . . . . 75 ALA HB . 50751 1 494 . 1 . 1 61 61 ALA HB2 H 1 1.482 0.020 . 1 . . . . . 75 ALA HB . 50751 1 495 . 1 . 1 61 61 ALA HB3 H 1 1.482 0.020 . 1 . . . . . 75 ALA HB . 50751 1 496 . 1 . 1 61 61 ALA CA C 13 52.943 0.3 . 1 . . . . . 75 ALA CA . 50751 1 497 . 1 . 1 61 61 ALA CB C 13 18.656 0.3 . 1 . . . . . 75 ALA CB . 50751 1 498 . 1 . 1 61 61 ALA N N 15 118.831 0.3 . 1 . . . . . 75 ALA N . 50751 1 499 . 1 . 1 62 62 LYS H H 1 7.424 0.020 . 1 . . . . . 76 LYS H . 50751 1 500 . 1 . 1 62 62 LYS HA H 1 4.136 0.020 . 1 . . . . . 76 LYS HA . 50751 1 501 . 1 . 1 62 62 LYS HB2 H 1 1.949 0.020 . 1 . . . . . 76 LYS HB2 . 50751 1 502 . 1 . 1 62 62 LYS HB3 H 1 1.949 0.020 . 1 . . . . . 76 LYS HB3 . 50751 1 503 . 1 . 1 62 62 LYS HG2 H 1 1.574 0.020 . 1 . . . . . 76 LYS HG2 . 50751 1 504 . 1 . 1 62 62 LYS HG3 H 1 1.574 0.020 . 1 . . . . . 76 LYS HG3 . 50751 1 505 . 1 . 1 62 62 LYS HD2 H 1 1.716 0.020 . 1 . . . . . 76 LYS HD2 . 50751 1 506 . 1 . 1 62 62 LYS HD3 H 1 1.716 0.020 . 1 . . . . . 76 LYS HD3 . 50751 1 507 . 1 . 1 62 62 LYS HE2 H 1 3.051 0.020 . 1 . . . . . 76 LYS HE2 . 50751 1 508 . 1 . 1 62 62 LYS HE3 H 1 3.051 0.020 . 1 . . . . . 76 LYS HE3 . 50751 1 509 . 1 . 1 62 62 LYS CA C 13 58.566 0.3 . 1 . . . . . 76 LYS CA . 50751 1 510 . 1 . 1 62 62 LYS CB C 13 32.569 0.3 . 1 . . . . . 76 LYS CB . 50751 1 511 . 1 . 1 62 62 LYS CG C 13 23.310 0.3 . 1 . . . . . 76 LYS CG . 50751 1 512 . 1 . 1 62 62 LYS CD C 13 29.066 0.3 . 1 . . . . . 76 LYS CD . 50751 1 513 . 1 . 1 62 62 LYS CE C 13 42.172 0.3 . 1 . . . . . 76 LYS CE . 50751 1 514 . 1 . 1 62 62 LYS N N 15 117.088 0.3 . 1 . . . . . 76 LYS N . 50751 1 515 . 1 . 1 63 63 ILE H H 1 8.222 0.020 . 1 . . . . . 77 ILE H . 50751 1 516 . 1 . 1 63 63 ILE HA H 1 3.671 0.020 . 1 . . . . . 77 ILE HA . 50751 1 517 . 1 . 1 63 63 ILE HB H 1 2.177 0.020 . 1 . . . . . 77 ILE HB . 50751 1 518 . 1 . 1 63 63 ILE HG12 H 1 0.996 0.020 . 1 . . . . . 77 ILE HG12 . 50751 1 519 . 1 . 1 63 63 ILE HG13 H 1 0.996 0.020 . 1 . . . . . 77 ILE HG13 . 50751 1 520 . 1 . 1 63 63 ILE HG21 H 1 0.958 0.020 . 1 . . . . . 77 ILE HG2 . 50751 1 521 . 1 . 1 63 63 ILE HG22 H 1 0.958 0.020 . 1 . . . . . 77 ILE HG2 . 50751 1 522 . 1 . 1 63 63 ILE HG23 H 1 0.958 0.020 . 1 . . . . . 77 ILE HG2 . 50751 1 523 . 1 . 1 63 63 ILE HD11 H 1 0.723 0.020 . 1 . . . . . 77 ILE HD1 . 50751 1 524 . 1 . 1 63 63 ILE HD12 H 1 0.723 0.020 . 1 . . . . . 77 ILE HD1 . 50751 1 525 . 1 . 1 63 63 ILE HD13 H 1 0.723 0.020 . 1 . . . . . 77 ILE HD1 . 50751 1 526 . 1 . 1 63 63 ILE CA C 13 66.235 0.3 . 1 . . . . . 77 ILE CA . 50751 1 527 . 1 . 1 63 63 ILE CB C 13 37.571 0.3 . 1 . . . . . 77 ILE CB . 50751 1 528 . 1 . 1 63 63 ILE CG1 C 13 29.254 0.3 . 1 . . . . . 77 ILE CG1 . 50751 1 529 . 1 . 1 63 63 ILE CG2 C 13 17.089 0.3 . 1 . . . . . 77 ILE CG2 . 50751 1 530 . 1 . 1 63 63 ILE CD1 C 13 13.174 0.3 . 1 . . . . . 77 ILE CD1 . 50751 1 531 . 1 . 1 63 63 ILE N N 15 120.616 0.3 . 1 . . . . . 77 ILE N . 50751 1 532 . 1 . 1 64 64 ARG H H 1 8.010 0.020 . 1 . . . . . 78 ARG H . 50751 1 533 . 1 . 1 64 64 ARG HA H 1 4.218 0.020 . 1 . . . . . 78 ARG HA . 50751 1 534 . 1 . 1 64 64 ARG HB2 H 1 1.990 0.020 . 1 . . . . . 78 ARG HB2 . 50751 1 535 . 1 . 1 64 64 ARG HB3 H 1 1.990 0.020 . 1 . . . . . 78 ARG HB3 . 50751 1 536 . 1 . 1 64 64 ARG HG2 H 1 1.578 0.020 . 1 . . . . . 78 ARG HG2 . 50751 1 537 . 1 . 1 64 64 ARG HG3 H 1 1.578 0.020 . 1 . . . . . 78 ARG HG3 . 50751 1 538 . 1 . 1 64 64 ARG CA C 13 59.861 0.3 . 1 . . . . . 78 ARG CA . 50751 1 539 . 1 . 1 64 64 ARG CB C 13 32.233 0.3 . 1 . . . . . 78 ARG CB . 50751 1 540 . 1 . 1 64 64 ARG CG C 13 25.076 0.3 . 1 . . . . . 78 ARG CG . 50751 1 541 . 1 . 1 64 64 ARG N N 15 119.130 0.3 . 1 . . . . . 78 ARG N . 50751 1 542 . 1 . 1 65 65 VAL H H 1 8.666 0.020 . 1 . . . . . 79 VAL H . 50751 1 543 . 1 . 1 65 65 VAL HA H 1 3.610 0.020 . 1 . . . . . 79 VAL HA . 50751 1 544 . 1 . 1 65 65 VAL HB H 1 2.162 0.020 . 1 . . . . . 79 VAL HB . 50751 1 545 . 1 . 1 65 65 VAL HG11 H 1 1.108 0.020 . 1 . . . . . 79 VAL HG1 . 50751 1 546 . 1 . 1 65 65 VAL HG12 H 1 1.108 0.020 . 1 . . . . . 79 VAL HG1 . 50751 1 547 . 1 . 1 65 65 VAL HG13 H 1 1.108 0.020 . 1 . . . . . 79 VAL HG1 . 50751 1 548 . 1 . 1 65 65 VAL HG21 H 1 1.108 0.020 . 1 . . . . . 79 VAL HG2 . 50751 1 549 . 1 . 1 65 65 VAL HG22 H 1 1.108 0.020 . 1 . . . . . 79 VAL HG2 . 50751 1 550 . 1 . 1 65 65 VAL HG23 H 1 1.108 0.020 . 1 . . . . . 79 VAL HG2 . 50751 1 551 . 1 . 1 65 65 VAL CA C 13 67.236 0.3 . 1 . . . . . 79 VAL CA . 50751 1 552 . 1 . 1 65 65 VAL CB C 13 31.145 0.3 . 1 . . . . . 79 VAL CB . 50751 1 553 . 1 . 1 65 65 VAL N N 15 118.213 0.3 . 1 . . . . . 79 VAL N . 50751 1 554 . 1 . 1 66 66 ALA H H 1 8.859 0.020 . 1 . . . . . 80 ALA H . 50751 1 555 . 1 . 1 66 66 ALA HA H 1 3.912 0.020 . 1 . . . . . 80 ALA HA . 50751 1 556 . 1 . 1 66 66 ALA HB1 H 1 1.557 0.020 . 1 . . . . . 80 ALA HB . 50751 1 557 . 1 . 1 66 66 ALA HB2 H 1 1.557 0.020 . 1 . . . . . 80 ALA HB . 50751 1 558 . 1 . 1 66 66 ALA HB3 H 1 1.557 0.020 . 1 . . . . . 80 ALA HB . 50751 1 559 . 1 . 1 66 66 ALA C C 13 178.801 0.3 . 1 . . . . . 80 ALA C . 50751 1 560 . 1 . 1 66 66 ALA CA C 13 56.335 0.3 . 1 . . . . . 80 ALA CA . 50751 1 561 . 1 . 1 66 66 ALA CB C 13 17.404 0.3 . 1 . . . . . 80 ALA CB . 50751 1 562 . 1 . 1 66 66 ALA N N 15 126.860 0.3 . 1 . . . . . 80 ALA N . 50751 1 563 . 1 . 1 67 67 ASP H H 1 8.634 0.020 . 1 . . . . . 81 ASP H . 50751 1 564 . 1 . 1 67 67 ASP HA H 1 4.326 0.020 . 1 . . . . . 81 ASP HA . 50751 1 565 . 1 . 1 67 67 ASP HB2 H 1 2.880 0.020 . 2 . . . . . 81 ASP HB2 . 50751 1 566 . 1 . 1 67 67 ASP HB3 H 1 2.722 0.020 . 2 . . . . . 81 ASP HB3 . 50751 1 567 . 1 . 1 67 67 ASP CA C 13 57.976 0.3 . 1 . . . . . 81 ASP CA . 50751 1 568 . 1 . 1 67 67 ASP CB C 13 39.923 0.3 . 1 . . . . . 81 ASP CB . 50751 1 569 . 1 . 1 67 67 ASP N N 15 119.159 0.3 . 1 . . . . . 81 ASP N . 50751 1 570 . 1 . 1 68 68 LEU H H 1 7.371 0.020 . 1 . . . . . 82 LEU H . 50751 1 571 . 1 . 1 68 68 LEU HA H 1 4.186 0.020 . 1 . . . . . 82 LEU HA . 50751 1 572 . 1 . 1 68 68 LEU HB2 H 1 2.410 0.020 . 1 . . . . . 82 LEU HB2 . 50751 1 573 . 1 . 1 68 68 LEU HB3 H 1 2.410 0.020 . 1 . . . . . 82 LEU HB3 . 50751 1 574 . 1 . 1 68 68 LEU HG H 1 1.579 0.020 . 1 . . . . . 82 LEU HG . 50751 1 575 . 1 . 1 68 68 LEU CA C 13 58.400 0.3 . 1 . . . . . 82 LEU CA . 50751 1 576 . 1 . 1 68 68 LEU CB C 13 42.070 0.3 . 1 . . . . . 82 LEU CB . 50751 1 577 . 1 . 1 68 68 LEU CG C 13 26.963 0.3 . 1 . . . . . 82 LEU CG . 50751 1 578 . 1 . 1 68 68 LEU N N 15 119.250 0.3 . 1 . . . . . 82 LEU N . 50751 1 579 . 1 . 1 69 69 THR H H 1 8.625 0.020 . 1 . . . . . 83 THR H . 50751 1 580 . 1 . 1 69 69 THR HA H 1 4.156 0.020 . 1 . . . . . 83 THR HA . 50751 1 581 . 1 . 1 69 69 THR HB H 1 4.541 0.020 . 1 . . . . . 83 THR HB . 50751 1 582 . 1 . 1 69 69 THR HG21 H 1 1.289 0.020 . 1 . . . . . 83 THR HG2 . 50751 1 583 . 1 . 1 69 69 THR HG22 H 1 1.289 0.020 . 1 . . . . . 83 THR HG2 . 50751 1 584 . 1 . 1 69 69 THR HG23 H 1 1.289 0.020 . 1 . . . . . 83 THR HG2 . 50751 1 585 . 1 . 1 69 69 THR CA C 13 68.069 0.3 . 1 . . . . . 83 THR CA . 50751 1 586 . 1 . 1 69 69 THR CB C 13 66.903 0.3 . 1 . . . . . 83 THR CB . 50751 1 587 . 1 . 1 69 69 THR CG2 C 13 21.907 0.3 . 1 . . . . . 83 THR CG2 . 50751 1 588 . 1 . 1 69 69 THR N N 15 120.850 0.3 . 1 . . . . . 83 THR N . 50751 1 589 . 1 . 1 70 70 ILE H H 1 8.867 0.020 . 1 . . . . . 84 ILE H . 50751 1 590 . 1 . 1 70 70 ILE HA H 1 3.671 0.020 . 1 . . . . . 84 ILE HA . 50751 1 591 . 1 . 1 70 70 ILE HB H 1 2.184 0.020 . 1 . . . . . 84 ILE HB . 50751 1 592 . 1 . 1 70 70 ILE HG12 H 1 1.177 0.020 . 1 . . . . . 84 ILE HG12 . 50751 1 593 . 1 . 1 70 70 ILE HG13 H 1 1.177 0.020 . 1 . . . . . 84 ILE HG13 . 50751 1 594 . 1 . 1 70 70 ILE HG21 H 1 0.995 0.020 . 1 . . . . . 84 ILE HG2 . 50751 1 595 . 1 . 1 70 70 ILE HG22 H 1 0.995 0.020 . 1 . . . . . 84 ILE HG2 . 50751 1 596 . 1 . 1 70 70 ILE HG23 H 1 0.995 0.020 . 1 . . . . . 84 ILE HG2 . 50751 1 597 . 1 . 1 70 70 ILE HD11 H 1 0.945 0.020 . 1 . . . . . 84 ILE HD1 . 50751 1 598 . 1 . 1 70 70 ILE HD12 H 1 0.945 0.020 . 1 . . . . . 84 ILE HD1 . 50751 1 599 . 1 . 1 70 70 ILE HD13 H 1 0.945 0.020 . 1 . . . . . 84 ILE HD1 . 50751 1 600 . 1 . 1 70 70 ILE CA C 13 66.396 0.3 . 1 . . . . . 84 ILE CA . 50751 1 601 . 1 . 1 70 70 ILE CB C 13 37.359 0.3 . 1 . . . . . 84 ILE CB . 50751 1 602 . 1 . 1 70 70 ILE CG1 C 13 29.343 0.3 . 1 . . . . . 84 ILE CG1 . 50751 1 603 . 1 . 1 70 70 ILE CG2 C 13 17.243 0.3 . 1 . . . . . 84 ILE CG2 . 50751 1 604 . 1 . 1 70 70 ILE CD1 C 13 13.383 0.3 . 1 . . . . . 84 ILE CD1 . 50751 1 605 . 1 . 1 70 70 ILE N N 15 124.784 0.3 . 1 . . . . . 84 ILE N . 50751 1 606 . 1 . 1 71 71 LYS H H 1 8.010 0.020 . 1 . . . . . 85 LYS H . 50751 1 607 . 1 . 1 71 71 LYS HA H 1 4.226 0.020 . 1 . . . . . 85 LYS HA . 50751 1 608 . 1 . 1 71 71 LYS HB2 H 1 2.021 0.020 . 1 . . . . . 85 LYS HB2 . 50751 1 609 . 1 . 1 71 71 LYS HB3 H 1 2.021 0.020 . 1 . . . . . 85 LYS HB3 . 50751 1 610 . 1 . 1 71 71 LYS HG2 H 1 1.575 0.020 . 1 . . . . . 85 LYS HG2 . 50751 1 611 . 1 . 1 71 71 LYS HG3 H 1 1.575 0.020 . 1 . . . . . 85 LYS HG3 . 50751 1 612 . 1 . 1 71 71 LYS HD2 H 1 1.735 0.020 . 1 . . . . . 85 LYS HD2 . 50751 1 613 . 1 . 1 71 71 LYS HD3 H 1 1.735 0.020 . 1 . . . . . 85 LYS HD3 . 50751 1 614 . 1 . 1 71 71 LYS HE2 H 1 3.050 0.020 . 1 . . . . . 85 LYS HE2 . 50751 1 615 . 1 . 1 71 71 LYS HE3 H 1 3.050 0.020 . 1 . . . . . 85 LYS HE3 . 50751 1 616 . 1 . 1 71 71 LYS CA C 13 59.971 0.3 . 1 . . . . . 85 LYS CA . 50751 1 617 . 1 . 1 71 71 LYS CB C 13 32.073 0.3 . 1 . . . . . 85 LYS CB . 50751 1 618 . 1 . 1 71 71 LYS CG C 13 25.343 0.3 . 1 . . . . . 85 LYS CG . 50751 1 619 . 1 . 1 71 71 LYS CD C 13 29.070 0.3 . 1 . . . . . 85 LYS CD . 50751 1 620 . 1 . 1 71 71 LYS CE C 13 42.146 0.3 . 1 . . . . . 85 LYS CE . 50751 1 621 . 1 . 1 71 71 LYS N N 15 119.329 0.3 . 1 . . . . . 85 LYS N . 50751 1 622 . 1 . 1 74 74 GLU H H 1 8.391 0.020 . 1 . . . . . 88 GLU H . 50751 1 623 . 1 . 1 74 74 GLU HA H 1 4.085 0.020 . 1 . . . . . 88 GLU HA . 50751 1 624 . 1 . 1 74 74 GLU HB2 H 1 2.217 0.020 . 1 . . . . . 88 GLU HB2 . 50751 1 625 . 1 . 1 74 74 GLU HB3 H 1 2.217 0.020 . 1 . . . . . 88 GLU HB3 . 50751 1 626 . 1 . 1 74 74 GLU HG2 H 1 2.406 0.020 . 1 . . . . . 88 GLU HG2 . 50751 1 627 . 1 . 1 74 74 GLU HG3 H 1 2.406 0.020 . 1 . . . . . 88 GLU HG3 . 50751 1 628 . 1 . 1 74 74 GLU CA C 13 59.146 0.3 . 1 . . . . . 88 GLU CA . 50751 1 629 . 1 . 1 74 74 GLU CB C 13 29.634 0.3 . 1 . . . . . 88 GLU CB . 50751 1 630 . 1 . 1 74 74 GLU CG C 13 36.581 0.3 . 1 . . . . . 88 GLU CG . 50751 1 631 . 1 . 1 74 74 GLU N N 15 119.999 0.3 . 1 . . . . . 88 GLU N . 50751 1 632 . 1 . 1 75 75 ALA H H 1 7.970 0.020 . 1 . . . . . 89 ALA H . 50751 1 633 . 1 . 1 75 75 ALA HA H 1 4.190 0.020 . 1 . . . . . 89 ALA HA . 50751 1 634 . 1 . 1 75 75 ALA HB1 H 1 1.585 0.020 . 1 . . . . . 89 ALA HB . 50751 1 635 . 1 . 1 75 75 ALA HB2 H 1 1.585 0.020 . 1 . . . . . 89 ALA HB . 50751 1 636 . 1 . 1 75 75 ALA HB3 H 1 1.585 0.020 . 1 . . . . . 89 ALA HB . 50751 1 637 . 1 . 1 75 75 ALA CA C 13 55.004 0.3 . 1 . . . . . 89 ALA CA . 50751 1 638 . 1 . 1 75 75 ALA CB C 13 17.864 0.3 . 1 . . . . . 89 ALA CB . 50751 1 639 . 1 . 1 75 75 ALA N N 15 122.442 0.3 . 1 . . . . . 89 ALA N . 50751 1 640 . 1 . 1 76 76 THR H H 1 8.487 0.020 . 1 . . . . . 90 THR H . 50751 1 641 . 1 . 1 76 76 THR HA H 1 3.653 0.020 . 1 . . . . . 90 THR HA . 50751 1 642 . 1 . 1 76 76 THR HB H 1 4.001 0.020 . 1 . . . . . 90 THR HB . 50751 1 643 . 1 . 1 76 76 THR HG21 H 1 0.842 0.020 . 1 . . . . . 90 THR HG2 . 50751 1 644 . 1 . 1 76 76 THR HG22 H 1 0.842 0.020 . 1 . . . . . 90 THR HG2 . 50751 1 645 . 1 . 1 76 76 THR HG23 H 1 0.842 0.020 . 1 . . . . . 90 THR HG2 . 50751 1 646 . 1 . 1 76 76 THR CA C 13 67.985 0.3 . 1 . . . . . 90 THR CA . 50751 1 647 . 1 . 1 76 76 THR CB C 13 66.862 0.3 . 1 . . . . . 90 THR CB . 50751 1 648 . 1 . 1 76 76 THR CG2 C 13 22.376 0.3 . 1 . . . . . 90 THR CG2 . 50751 1 649 . 1 . 1 76 76 THR N N 15 116.331 0.3 . 1 . . . . . 90 THR N . 50751 1 650 . 1 . 1 77 77 GLU H H 1 8.152 0.020 . 1 . . . . . 91 GLU H . 50751 1 651 . 1 . 1 77 77 GLU HA H 1 3.745 0.020 . 1 . . . . . 91 GLU HA . 50751 1 652 . 1 . 1 77 77 GLU HB2 H 1 2.202 0.020 . 1 . . . . . 91 GLU HB2 . 50751 1 653 . 1 . 1 77 77 GLU HB3 H 1 2.202 0.020 . 1 . . . . . 91 GLU HB3 . 50751 1 654 . 1 . 1 77 77 GLU HG2 H 1 2.395 0.020 . 1 . . . . . 91 GLU HG2 . 50751 1 655 . 1 . 1 77 77 GLU HG3 H 1 2.395 0.020 . 1 . . . . . 91 GLU HG3 . 50751 1 656 . 1 . 1 77 77 GLU CA C 13 61.122 0.3 . 1 . . . . . 91 GLU CA . 50751 1 657 . 1 . 1 77 77 GLU CB C 13 29.486 0.3 . 1 . . . . . 91 GLU CB . 50751 1 658 . 1 . 1 77 77 GLU CG C 13 36.398 0.3 . 1 . . . . . 91 GLU CG . 50751 1 659 . 1 . 1 77 77 GLU N N 15 125.445 0.3 . 1 . . . . . 91 GLU N . 50751 1 660 . 1 . 1 78 78 GLU H H 1 7.614 0.020 . 1 . . . . . 92 GLU H . 50751 1 661 . 1 . 1 78 78 GLU HA H 1 3.983 0.020 . 1 . . . . . 92 GLU HA . 50751 1 662 . 1 . 1 78 78 GLU HB2 H 1 1.930 0.020 . 1 . . . . . 92 GLU HB2 . 50751 1 663 . 1 . 1 78 78 GLU HB3 H 1 1.930 0.020 . 1 . . . . . 92 GLU HB3 . 50751 1 664 . 1 . 1 78 78 GLU HG2 H 1 2.181 0.020 . 1 . . . . . 92 GLU HG2 . 50751 1 665 . 1 . 1 78 78 GLU HG3 H 1 2.181 0.020 . 1 . . . . . 92 GLU HG3 . 50751 1 666 . 1 . 1 78 78 GLU CA C 13 59.877 0.3 . 1 . . . . . 92 GLU CA . 50751 1 667 . 1 . 1 78 78 GLU CB C 13 29.879 0.3 . 1 . . . . . 92 GLU CB . 50751 1 668 . 1 . 1 78 78 GLU CG C 13 37.241 0.3 . 1 . . . . . 92 GLU CG . 50751 1 669 . 1 . 1 78 78 GLU N N 15 117.062 0.3 . 1 . . . . . 92 GLU N . 50751 1 670 . 1 . 1 79 79 GLU H H 1 8.794 0.020 . 1 . . . . . 93 GLU H . 50751 1 671 . 1 . 1 79 79 GLU HA H 1 4.203 0.020 . 1 . . . . . 93 GLU HA . 50751 1 672 . 1 . 1 79 79 GLU HB2 H 1 1.871 0.020 . 1 . . . . . 93 GLU HB2 . 50751 1 673 . 1 . 1 79 79 GLU HB3 H 1 1.871 0.020 . 1 . . . . . 93 GLU HB3 . 50751 1 674 . 1 . 1 79 79 GLU HG2 H 1 2.362 0.020 . 1 . . . . . 93 GLU HG2 . 50751 1 675 . 1 . 1 79 79 GLU HG3 H 1 2.362 0.020 . 1 . . . . . 93 GLU HG3 . 50751 1 676 . 1 . 1 79 79 GLU CA C 13 57.866 0.3 . 1 . . . . . 93 GLU CA . 50751 1 677 . 1 . 1 79 79 GLU CB C 13 28.602 0.3 . 1 . . . . . 93 GLU CB . 50751 1 678 . 1 . 1 79 79 GLU CG C 13 35.196 0.3 . 1 . . . . . 93 GLU CG . 50751 1 679 . 1 . 1 79 79 GLU N N 15 116.236 0.3 . 1 . . . . . 93 GLU N . 50751 1 680 . 1 . 1 80 80 THR H H 1 8.482 0.020 . 1 . . . . . 94 THR H . 50751 1 681 . 1 . 1 80 80 THR HA H 1 4.364 0.020 . 1 . . . . . 94 THR HA . 50751 1 682 . 1 . 1 80 80 THR HB H 1 4.138 0.020 . 1 . . . . . 94 THR HB . 50751 1 683 . 1 . 1 80 80 THR HG21 H 1 1.284 0.020 . 1 . . . . . 94 THR HG2 . 50751 1 684 . 1 . 1 80 80 THR HG22 H 1 1.284 0.020 . 1 . . . . . 94 THR HG2 . 50751 1 685 . 1 . 1 80 80 THR HG23 H 1 1.284 0.020 . 1 . . . . . 94 THR HG2 . 50751 1 686 . 1 . 1 80 80 THR CA C 13 69.267 0.3 . 1 . . . . . 94 THR CA . 50751 1 687 . 1 . 1 80 80 THR CB C 13 67.478 0.3 . 1 . . . . . 94 THR CB . 50751 1 688 . 1 . 1 80 80 THR CG2 C 13 21.918 0.3 . 1 . . . . . 94 THR CG2 . 50751 1 689 . 1 . 1 80 80 THR N N 15 118.284 0.3 . 1 . . . . . 94 THR N . 50751 1 690 . 1 . 1 81 81 ILE H H 1 7.835 0.020 . 1 . . . . . 95 ILE H . 50751 1 691 . 1 . 1 81 81 ILE HA H 1 3.783 0.020 . 1 . . . . . 95 ILE HA . 50751 1 692 . 1 . 1 81 81 ILE HB H 1 2.177 0.020 . 1 . . . . . 95 ILE HB . 50751 1 693 . 1 . 1 81 81 ILE HG12 H 1 1.389 0.020 . 2 . . . . . 95 ILE HG12 . 50751 1 694 . 1 . 1 81 81 ILE HG13 H 1 1.175 0.020 . 2 . . . . . 95 ILE HG13 . 50751 1 695 . 1 . 1 81 81 ILE HG21 H 1 0.995 0.020 . 1 . . . . . 95 ILE HG2 . 50751 1 696 . 1 . 1 81 81 ILE HG22 H 1 0.995 0.020 . 1 . . . . . 95 ILE HG2 . 50751 1 697 . 1 . 1 81 81 ILE HG23 H 1 0.995 0.020 . 1 . . . . . 95 ILE HG2 . 50751 1 698 . 1 . 1 81 81 ILE HD11 H 1 0.947 0.020 . 1 . . . . . 95 ILE HD1 . 50751 1 699 . 1 . 1 81 81 ILE HD12 H 1 0.947 0.020 . 1 . . . . . 95 ILE HD1 . 50751 1 700 . 1 . 1 81 81 ILE HD13 H 1 0.947 0.020 . 1 . . . . . 95 ILE HD1 . 50751 1 701 . 1 . 1 81 81 ILE CA C 13 64.792 0.3 . 1 . . . . . 95 ILE CA . 50751 1 702 . 1 . 1 81 81 ILE CB C 13 36.971 0.3 . 1 . . . . . 95 ILE CB . 50751 1 703 . 1 . 1 81 81 ILE CG1 C 13 28.860 0.3 . 1 . . . . . 95 ILE CG1 . 50751 1 704 . 1 . 1 81 81 ILE CG2 C 13 16.940 0.3 . 1 . . . . . 95 ILE CG2 . 50751 1 705 . 1 . 1 81 81 ILE CD1 C 13 13.474 0.3 . 1 . . . . . 95 ILE CD1 . 50751 1 706 . 1 . 1 81 81 ILE N N 15 122.392 0.3 . 1 . . . . . 95 ILE N . 50751 1 707 . 1 . 1 82 82 THR H H 1 7.842 0.020 . 1 . . . . . 96 THR H . 50751 1 708 . 1 . 1 82 82 THR HA H 1 4.406 0.020 . 1 . . . . . 96 THR HA . 50751 1 709 . 1 . 1 82 82 THR HB H 1 4.377 0.020 . 1 . . . . . 96 THR HB . 50751 1 710 . 1 . 1 82 82 THR HG21 H 1 1.210 0.020 . 1 . . . . . 96 THR HG2 . 50751 1 711 . 1 . 1 82 82 THR HG22 H 1 1.210 0.020 . 1 . . . . . 96 THR HG2 . 50751 1 712 . 1 . 1 82 82 THR HG23 H 1 1.210 0.020 . 1 . . . . . 96 THR HG2 . 50751 1 713 . 1 . 1 82 82 THR C C 13 176.975 0.3 . 1 . . . . . 96 THR C . 50751 1 714 . 1 . 1 82 82 THR CA C 13 67.243 0.3 . 1 . . . . . 96 THR CA . 50751 1 715 . 1 . 1 82 82 THR CB C 13 68.233 0.3 . 1 . . . . . 96 THR CB . 50751 1 716 . 1 . 1 82 82 THR CG2 C 13 22.449 0.3 . 1 . . . . . 96 THR CG2 . 50751 1 717 . 1 . 1 82 82 THR N N 15 118.602 0.3 . 1 . . . . . 96 THR N . 50751 1 718 . 1 . 1 83 83 PHE H H 1 8.824 0.020 . 1 . . . . . 97 PHE H . 50751 1 719 . 1 . 1 83 83 PHE HA H 1 4.140 0.020 . 1 . . . . . 97 PHE HA . 50751 1 720 . 1 . 1 83 83 PHE HB2 H 1 2.037 0.020 . 1 . . . . . 97 PHE HB2 . 50751 1 721 . 1 . 1 83 83 PHE HB3 H 1 2.037 0.020 . 1 . . . . . 97 PHE HB3 . 50751 1 722 . 1 . 1 83 83 PHE CA C 13 60.047 0.3 . 1 . . . . . 97 PHE CA . 50751 1 723 . 1 . 1 83 83 PHE CB C 13 37.857 0.3 . 1 . . . . . 97 PHE CB . 50751 1 724 . 1 . 1 83 83 PHE N N 15 122.260 0.3 . 1 . . . . . 97 PHE N . 50751 1 725 . 1 . 1 84 84 LYS H H 1 7.435 0.020 . 1 . . . . . 98 LYS H . 50751 1 726 . 1 . 1 84 84 LYS HA H 1 4.416 0.020 . 1 . . . . . 98 LYS HA . 50751 1 727 . 1 . 1 84 84 LYS HB2 H 1 2.160 0.020 . 1 . . . . . 98 LYS HB2 . 50751 1 728 . 1 . 1 84 84 LYS HB3 H 1 2.160 0.020 . 1 . . . . . 98 LYS HB3 . 50751 1 729 . 1 . 1 84 84 LYS HG2 H 1 1.011 0.020 . 1 . . . . . 98 LYS HG2 . 50751 1 730 . 1 . 1 84 84 LYS HG3 H 1 1.011 0.020 . 1 . . . . . 98 LYS HG3 . 50751 1 731 . 1 . 1 84 84 LYS HD2 H 1 1.733 0.020 . 1 . . . . . 98 LYS HD2 . 50751 1 732 . 1 . 1 84 84 LYS HD3 H 1 1.733 0.020 . 1 . . . . . 98 LYS HD3 . 50751 1 733 . 1 . 1 84 84 LYS HE2 H 1 3.051 0.020 . 1 . . . . . 98 LYS HE2 . 50751 1 734 . 1 . 1 84 84 LYS HE3 H 1 3.051 0.020 . 1 . . . . . 98 LYS HE3 . 50751 1 735 . 1 . 1 84 84 LYS C C 13 172.790 0.3 . 1 . . . . . 98 LYS C . 50751 1 736 . 1 . 1 84 84 LYS CA C 13 56.748 0.3 . 1 . . . . . 98 LYS CA . 50751 1 737 . 1 . 1 84 84 LYS CB C 13 31.889 0.3 . 1 . . . . . 98 LYS CB . 50751 1 738 . 1 . 1 84 84 LYS CG C 13 23.049 0.3 . 1 . . . . . 98 LYS CG . 50751 1 739 . 1 . 1 84 84 LYS CD C 13 29.077 0.3 . 1 . . . . . 98 LYS CD . 50751 1 740 . 1 . 1 84 84 LYS CE C 13 42.057 0.3 . 1 . . . . . 98 LYS CE . 50751 1 741 . 1 . 1 84 84 LYS N N 15 115.862 0.3 . 1 . . . . . 98 LYS N . 50751 1 742 . 1 . 1 85 85 GLU H H 1 8.509 0.020 . 1 . . . . . 99 GLU H . 50751 1 743 . 1 . 1 85 85 GLU HA H 1 4.245 0.020 . 1 . . . . . 99 GLU HA . 50751 1 744 . 1 . 1 85 85 GLU HB2 H 1 2.205 0.020 . 1 . . . . . 99 GLU HB2 . 50751 1 745 . 1 . 1 85 85 GLU HB3 H 1 2.205 0.020 . 1 . . . . . 99 GLU HB3 . 50751 1 746 . 1 . 1 85 85 GLU HG2 H 1 2.403 0.020 . 1 . . . . . 99 GLU HG2 . 50751 1 747 . 1 . 1 85 85 GLU HG3 H 1 2.403 0.020 . 1 . . . . . 99 GLU HG3 . 50751 1 748 . 1 . 1 85 85 GLU CA C 13 58.690 0.3 . 1 . . . . . 99 GLU CA . 50751 1 749 . 1 . 1 85 85 GLU CB C 13 29.799 0.3 . 1 . . . . . 99 GLU CB . 50751 1 750 . 1 . 1 85 85 GLU CG C 13 36.215 0.3 . 1 . . . . . 99 GLU CG . 50751 1 751 . 1 . 1 85 85 GLU N N 15 119.428 0.3 . 1 . . . . . 99 GLU N . 50751 1 752 . 1 . 1 86 86 ASN H H 1 8.061 0.020 . 1 . . . . . 100 ASN H . 50751 1 753 . 1 . 1 86 86 ASN HA H 1 4.946 0.020 . 1 . . . . . 100 ASN HA . 50751 1 754 . 1 . 1 86 86 ASN HB2 H 1 3.055 0.020 . 2 . . . . . 100 ASN HB2 . 50751 1 755 . 1 . 1 86 86 ASN HB3 H 1 2.874 0.020 . 2 . . . . . 100 ASN HB3 . 50751 1 756 . 1 . 1 86 86 ASN HD21 H 1 7.101 0.020 . 1 . . . . . 100 ASN HD21 . 50751 1 757 . 1 . 1 86 86 ASN HD22 H 1 6.854 0.020 . 1 . . . . . 100 ASN HD22 . 50751 1 758 . 1 . 1 86 86 ASN CA C 13 53.319 0.3 . 1 . . . . . 100 ASN CA . 50751 1 759 . 1 . 1 86 86 ASN CB C 13 39.302 0.3 . 1 . . . . . 100 ASN CB . 50751 1 760 . 1 . 1 86 86 ASN N N 15 115.935 0.3 . 1 . . . . . 100 ASN N . 50751 1 761 . 1 . 1 86 86 ASN ND2 N 15 110.311 0.3 . 1 . . . . . 100 ASN ND2 . 50751 1 762 . 1 . 1 87 87 GLY H H 1 8.018 0.020 . 1 . . . . . 101 GLY H . 50751 1 763 . 1 . 1 87 87 GLY HA2 H 1 4.093 0.020 . 1 . . . . . 101 GLY HA2 . 50751 1 764 . 1 . 1 87 87 GLY HA3 H 1 4.093 0.020 . 1 . . . . . 101 GLY HA3 . 50751 1 765 . 1 . 1 87 87 GLY CA C 13 46.956 0.3 . 1 . . . . . 101 GLY CA . 50751 1 766 . 1 . 1 87 87 GLY N N 15 108.225 0.3 . 1 . . . . . 101 GLY N . 50751 1 767 . 1 . 1 88 88 ALA H H 1 7.966 0.020 . 1 . . . . . 102 ALA H . 50751 1 768 . 1 . 1 88 88 ALA HA H 1 4.133 0.020 . 1 . . . . . 102 ALA HA . 50751 1 769 . 1 . 1 88 88 ALA HB1 H 1 1.075 0.020 . 1 . . . . . 102 ALA HB . 50751 1 770 . 1 . 1 88 88 ALA HB2 H 1 1.075 0.020 . 1 . . . . . 102 ALA HB . 50751 1 771 . 1 . 1 88 88 ALA HB3 H 1 1.075 0.020 . 1 . . . . . 102 ALA HB . 50751 1 772 . 1 . 1 88 88 ALA C C 13 176.917 0.3 . 1 . . . . . 102 ALA C . 50751 1 773 . 1 . 1 88 88 ALA CA C 13 52.906 0.3 . 1 . . . . . 102 ALA CA . 50751 1 774 . 1 . 1 88 88 ALA CB C 13 20.504 0.3 . 1 . . . . . 102 ALA CB . 50751 1 775 . 1 . 1 88 88 ALA N N 15 122.035 0.3 . 1 . . . . . 102 ALA N . 50751 1 776 . 1 . 1 89 89 GLY H H 1 8.799 0.020 . 1 . . . . . 103 GLY H . 50751 1 777 . 1 . 1 89 89 GLY HA2 H 1 4.014 0.020 . 1 . . . . . 103 GLY HA2 . 50751 1 778 . 1 . 1 89 89 GLY HA3 H 1 4.014 0.020 . 1 . . . . . 103 GLY HA3 . 50751 1 779 . 1 . 1 89 89 GLY CA C 13 43.981 0.3 . 1 . . . . . 103 GLY CA . 50751 1 780 . 1 . 1 89 89 GLY N N 15 107.583 0.3 . 1 . . . . . 103 GLY N . 50751 1 781 . 1 . 1 90 90 GLU H H 1 8.810 0.020 . 1 . . . . . 104 GLU H . 50751 1 782 . 1 . 1 90 90 GLU HA H 1 4.561 0.020 . 1 . . . . . 104 GLU HA . 50751 1 783 . 1 . 1 90 90 GLU HB2 H 1 2.186 0.020 . 1 . . . . . 104 GLU HB2 . 50751 1 784 . 1 . 1 90 90 GLU HB3 H 1 2.186 0.020 . 1 . . . . . 104 GLU HB3 . 50751 1 785 . 1 . 1 90 90 GLU HG2 H 1 2.624 0.020 . 2 . . . . . 104 GLU HG2 . 50751 1 786 . 1 . 1 90 90 GLU HG3 H 1 2.680 0.020 . 2 . . . . . 104 GLU HG3 . 50751 1 787 . 1 . 1 90 90 GLU CA C 13 59.977 0.3 . 1 . . . . . 104 GLU CA . 50751 1 788 . 1 . 1 90 90 GLU CB C 13 30.538 0.3 . 1 . . . . . 104 GLU CB . 50751 1 789 . 1 . 1 90 90 GLU CG C 13 39.108 0.3 . 1 . . . . . 104 GLU CG . 50751 1 790 . 1 . 1 90 90 GLU N N 15 118.814 0.3 . 1 . . . . . 104 GLU N . 50751 1 791 . 1 . 1 91 91 GLU H H 1 9.148 0.020 . 1 . . . . . 105 GLU H . 50751 1 792 . 1 . 1 91 91 GLU HA H 1 4.223 0.020 . 1 . . . . . 105 GLU HA . 50751 1 793 . 1 . 1 91 91 GLU HB2 H 1 2.048 0.020 . 1 . . . . . 105 GLU HB2 . 50751 1 794 . 1 . 1 91 91 GLU HB3 H 1 2.048 0.020 . 1 . . . . . 105 GLU HB3 . 50751 1 795 . 1 . 1 91 91 GLU HG2 H 1 2.430 0.020 . 1 . . . . . 105 GLU HG2 . 50751 1 796 . 1 . 1 91 91 GLU HG3 H 1 2.430 0.020 . 1 . . . . . 105 GLU HG3 . 50751 1 797 . 1 . 1 91 91 GLU CA C 13 59.062 0.3 . 1 . . . . . 105 GLU CA . 50751 1 798 . 1 . 1 91 91 GLU CB C 13 29.056 0.3 . 1 . . . . . 105 GLU CB . 50751 1 799 . 1 . 1 91 91 GLU CG C 13 36.510 0.3 . 1 . . . . . 105 GLU CG . 50751 1 800 . 1 . 1 91 91 GLU N N 15 116.944 0.3 . 1 . . . . . 105 GLU N . 50751 1 801 . 1 . 1 92 92 ASP H H 1 7.506 0.020 . 1 . . . . . 106 ASP H . 50751 1 802 . 1 . 1 92 92 ASP HA H 1 4.300 0.020 . 1 . . . . . 106 ASP HA . 50751 1 803 . 1 . 1 92 92 ASP HB2 H 1 2.877 0.020 . 2 . . . . . 106 ASP HB2 . 50751 1 804 . 1 . 1 92 92 ASP HB3 H 1 2.728 0.020 . 2 . . . . . 106 ASP HB3 . 50751 1 805 . 1 . 1 92 92 ASP CA C 13 57.244 0.3 . 1 . . . . . 106 ASP CA . 50751 1 806 . 1 . 1 92 92 ASP CB C 13 40.336 0.3 . 1 . . . . . 106 ASP CB . 50751 1 807 . 1 . 1 92 92 ASP N N 15 120.065 0.3 . 1 . . . . . 106 ASP N . 50751 1 808 . 1 . 1 95 95 GLY H H 1 7.848 0.020 . 1 . . . . . 109 GLY H . 50751 1 809 . 1 . 1 95 95 GLY HA2 H 1 4.168 0.020 . 1 . . . . . 109 GLY HA2 . 50751 1 810 . 1 . 1 95 95 GLY HA3 H 1 4.168 0.020 . 1 . . . . . 109 GLY HA3 . 50751 1 811 . 1 . 1 95 95 GLY CA C 13 46.915 0.3 . 1 . . . . . 109 GLY CA . 50751 1 812 . 1 . 1 95 95 GLY N N 15 107.041 0.3 . 1 . . . . . 109 GLY N . 50751 1 813 . 1 . 1 96 96 ILE H H 1 7.698 0.020 . 1 . . . . . 110 ILE H . 50751 1 814 . 1 . 1 96 96 ILE HA H 1 3.842 0.020 . 1 . . . . . 110 ILE HA . 50751 1 815 . 1 . 1 96 96 ILE HB H 1 2.403 0.020 . 1 . . . . . 110 ILE HB . 50751 1 816 . 1 . 1 96 96 ILE HG12 H 1 1.947 0.020 . 1 . . . . . 110 ILE HG12 . 50751 1 817 . 1 . 1 96 96 ILE HG13 H 1 1.947 0.020 . 1 . . . . . 110 ILE HG13 . 50751 1 818 . 1 . 1 96 96 ILE HG21 H 1 1.005 0.020 . 1 . . . . . 110 ILE HG2 . 50751 1 819 . 1 . 1 96 96 ILE HG22 H 1 1.005 0.020 . 1 . . . . . 110 ILE HG2 . 50751 1 820 . 1 . 1 96 96 ILE HG23 H 1 1.005 0.020 . 1 . . . . . 110 ILE HG2 . 50751 1 821 . 1 . 1 96 96 ILE HD11 H 1 0.809 0.020 . 1 . . . . . 110 ILE HD1 . 50751 1 822 . 1 . 1 96 96 ILE HD12 H 1 0.809 0.020 . 1 . . . . . 110 ILE HD1 . 50751 1 823 . 1 . 1 96 96 ILE HD13 H 1 0.809 0.020 . 1 . . . . . 110 ILE HD1 . 50751 1 824 . 1 . 1 96 96 ILE C C 13 178.154 0.3 . 1 . . . . . 110 ILE C . 50751 1 825 . 1 . 1 96 96 ILE CA C 13 65.802 0.3 . 1 . . . . . 110 ILE CA . 50751 1 826 . 1 . 1 96 96 ILE CB C 13 37.066 0.3 . 1 . . . . . 110 ILE CB . 50751 1 827 . 1 . 1 96 96 ILE CG1 C 13 28.860 0.3 . 1 . . . . . 110 ILE CG1 . 50751 1 828 . 1 . 1 96 96 ILE CG2 C 13 18.927 0.3 . 1 . . . . . 110 ILE CG2 . 50751 1 829 . 1 . 1 96 96 ILE CD1 C 13 13.058 0.3 . 1 . . . . . 110 ILE CD1 . 50751 1 830 . 1 . 1 96 96 ILE N N 15 122.768 0.3 . 1 . . . . . 110 ILE N . 50751 1 831 . 1 . 1 97 97 TYR H H 1 8.310 0.020 . 1 . . . . . 111 TYR H . 50751 1 832 . 1 . 1 97 97 TYR HA H 1 4.306 0.020 . 1 . . . . . 111 TYR HA . 50751 1 833 . 1 . 1 97 97 TYR HB2 H 1 2.721 0.020 . 1 . . . . . 111 TYR HB2 . 50751 1 834 . 1 . 1 97 97 TYR HB3 H 1 2.721 0.020 . 1 . . . . . 111 TYR HB3 . 50751 1 835 . 1 . 1 97 97 TYR CA C 13 62.863 0.3 . 1 . . . . . 111 TYR CA . 50751 1 836 . 1 . 1 97 97 TYR CB C 13 37.864 0.3 . 1 . . . . . 111 TYR CB . 50751 1 837 . 1 . 1 97 97 TYR N N 15 121.460 0.3 . 1 . . . . . 111 TYR N . 50751 1 838 . 1 . 1 98 98 ASP H H 1 7.951 0.020 . 1 . . . . . 112 ASP H . 50751 1 839 . 1 . 1 98 98 ASP HA H 1 4.270 0.020 . 1 . . . . . 112 ASP HA . 50751 1 840 . 1 . 1 98 98 ASP HB2 H 1 2.209 0.020 . 1 . . . . . 112 ASP HB2 . 50751 1 841 . 1 . 1 98 98 ASP HB3 H 1 2.209 0.020 . 1 . . . . . 112 ASP HB3 . 50751 1 842 . 1 . 1 98 98 ASP C C 13 178.959 0.3 . 1 . . . . . 112 ASP C . 50751 1 843 . 1 . 1 98 98 ASP CA C 13 58.053 0.3 . 1 . . . . . 112 ASP CA . 50751 1 844 . 1 . 1 98 98 ASP CB C 13 40.484 0.3 . 1 . . . . . 112 ASP CB . 50751 1 845 . 1 . 1 98 98 ASP N N 15 116.948 0.3 . 1 . . . . . 112 ASP N . 50751 1 846 . 1 . 1 99 99 LEU H H 1 8.610 0.020 . 1 . . . . . 113 LEU H . 50751 1 847 . 1 . 1 99 99 LEU HA H 1 3.900 0.020 . 1 . . . . . 113 LEU HA . 50751 1 848 . 1 . 1 99 99 LEU HB2 H 1 1.672 0.020 . 1 . . . . . 113 LEU HB2 . 50751 1 849 . 1 . 1 99 99 LEU HB3 H 1 1.672 0.020 . 1 . . . . . 113 LEU HB3 . 50751 1 850 . 1 . 1 99 99 LEU HG H 1 1.447 0.020 . 1 . . . . . 113 LEU HG . 50751 1 851 . 1 . 1 99 99 LEU HD11 H 1 0.956 0.020 . 1 . . . . . 113 LEU HD1 . 50751 1 852 . 1 . 1 99 99 LEU HD12 H 1 0.956 0.020 . 1 . . . . . 113 LEU HD1 . 50751 1 853 . 1 . 1 99 99 LEU HD13 H 1 0.956 0.020 . 1 . . . . . 113 LEU HD1 . 50751 1 854 . 1 . 1 99 99 LEU HD21 H 1 0.956 0.020 . 1 . . . . . 113 LEU HD2 . 50751 1 855 . 1 . 1 99 99 LEU HD22 H 1 0.956 0.020 . 1 . . . . . 113 LEU HD2 . 50751 1 856 . 1 . 1 99 99 LEU HD23 H 1 0.956 0.020 . 1 . . . . . 113 LEU HD2 . 50751 1 857 . 1 . 1 99 99 LEU CA C 13 57.730 0.3 . 1 . . . . . 113 LEU CA . 50751 1 858 . 1 . 1 99 99 LEU CB C 13 41.285 0.3 . 1 . . . . . 113 LEU CB . 50751 1 859 . 1 . 1 99 99 LEU CG C 13 25.965 0.3 . 1 . . . . . 113 LEU CG . 50751 1 860 . 1 . 1 99 99 LEU N N 15 119.687 0.3 . 1 . . . . . 113 LEU N . 50751 1 861 . 1 . 1 101 101 LEU H H 1 8.669 0.020 . 1 . . . . . 115 LEU H . 50751 1 862 . 1 . 1 101 101 LEU HA H 1 3.578 0.020 . 1 . . . . . 115 LEU HA . 50751 1 863 . 1 . 1 101 101 LEU HB2 H 1 2.078 0.020 . 1 . . . . . 115 LEU HB2 . 50751 1 864 . 1 . 1 101 101 LEU HB3 H 1 2.078 0.020 . 1 . . . . . 115 LEU HB3 . 50751 1 865 . 1 . 1 101 101 LEU HG H 1 1.436 0.020 . 1 . . . . . 115 LEU HG . 50751 1 866 . 1 . 1 101 101 LEU HD11 H 1 0.952 0.020 . 1 . . . . . 115 LEU HD1 . 50751 1 867 . 1 . 1 101 101 LEU HD12 H 1 0.952 0.020 . 1 . . . . . 115 LEU HD1 . 50751 1 868 . 1 . 1 101 101 LEU HD13 H 1 0.952 0.020 . 1 . . . . . 115 LEU HD1 . 50751 1 869 . 1 . 1 101 101 LEU HD21 H 1 0.967 0.020 . 1 . . . . . 115 LEU HD2 . 50751 1 870 . 1 . 1 101 101 LEU HD22 H 1 0.967 0.020 . 1 . . . . . 115 LEU HD2 . 50751 1 871 . 1 . 1 101 101 LEU HD23 H 1 0.967 0.020 . 1 . . . . . 115 LEU HD2 . 50751 1 872 . 1 . 1 101 101 LEU C C 13 178.782 0.3 . 1 . . . . . 115 LEU C . 50751 1 873 . 1 . 1 101 101 LEU CA C 13 58.125 0.3 . 1 . . . . . 115 LEU CA . 50751 1 874 . 1 . 1 101 101 LEU CB C 13 41.534 0.3 . 1 . . . . . 115 LEU CB . 50751 1 875 . 1 . 1 101 101 LEU CG C 13 25.965 0.3 . 1 . . . . . 115 LEU CG . 50751 1 876 . 1 . 1 101 101 LEU CD1 C 13 22.143 0.3 . 1 . . . . . 115 LEU CD1 . 50751 1 877 . 1 . 1 101 101 LEU N N 15 125.430 0.3 . 1 . . . . . 115 LEU N . 50751 1 878 . 1 . 1 102 102 ASN H H 1 8.068 0.020 . 1 . . . . . 116 ASN H . 50751 1 879 . 1 . 1 102 102 ASN HA H 1 4.401 0.020 . 1 . . . . . 116 ASN HA . 50751 1 880 . 1 . 1 102 102 ASN HB2 H 1 3.034 0.020 . 2 . . . . . 116 ASN HB2 . 50751 1 881 . 1 . 1 102 102 ASN HB3 H 1 2.753 0.020 . 2 . . . . . 116 ASN HB3 . 50751 1 882 . 1 . 1 102 102 ASN HD21 H 1 6.957 0.020 . 1 . . . . . 116 ASN HD21 . 50751 1 883 . 1 . 1 102 102 ASN HD22 H 1 7.739 0.020 . 1 . . . . . 116 ASN HD22 . 50751 1 884 . 1 . 1 102 102 ASN CA C 13 56.101 0.3 . 1 . . . . . 116 ASN CA . 50751 1 885 . 1 . 1 102 102 ASN CB C 13 37.877 0.3 . 1 . . . . . 116 ASN CB . 50751 1 886 . 1 . 1 102 102 ASN N N 15 117.874 0.3 . 1 . . . . . 116 ASN N . 50751 1 887 . 1 . 1 102 102 ASN ND2 N 15 112.186 0.3 . 1 . . . . . 116 ASN ND2 . 50751 1 888 . 1 . 1 103 103 ALA H H 1 8.372 0.020 . 1 . . . . . 117 ALA H . 50751 1 889 . 1 . 1 103 103 ALA HA H 1 3.830 0.020 . 1 . . . . . 117 ALA HA . 50751 1 890 . 1 . 1 103 103 ALA HB1 H 1 1.247 0.020 . 1 . . . . . 117 ALA HB . 50751 1 891 . 1 . 1 103 103 ALA HB2 H 1 1.247 0.020 . 1 . . . . . 117 ALA HB . 50751 1 892 . 1 . 1 103 103 ALA HB3 H 1 1.247 0.020 . 1 . . . . . 117 ALA HB . 50751 1 893 . 1 . 1 103 103 ALA CA C 13 55.628 0.3 . 1 . . . . . 117 ALA CA . 50751 1 894 . 1 . 1 103 103 ALA CB C 13 18.100 0.3 . 1 . . . . . 117 ALA CB . 50751 1 895 . 1 . 1 103 103 ALA N N 15 124.358 0.3 . 1 . . . . . 117 ALA N . 50751 1 896 . 1 . 1 104 104 ALA H H 1 8.698 0.020 . 1 . . . . . 118 ALA H . 50751 1 897 . 1 . 1 104 104 ALA HA H 1 3.862 0.020 . 1 . . . . . 118 ALA HA . 50751 1 898 . 1 . 1 104 104 ALA HB1 H 1 1.435 0.020 . 1 . . . . . 118 ALA HB . 50751 1 899 . 1 . 1 104 104 ALA HB2 H 1 1.435 0.020 . 1 . . . . . 118 ALA HB . 50751 1 900 . 1 . 1 104 104 ALA HB3 H 1 1.435 0.020 . 1 . . . . . 118 ALA HB . 50751 1 901 . 1 . 1 104 104 ALA CA C 13 55.477 0.3 . 1 . . . . . 118 ALA CA . 50751 1 902 . 1 . 1 104 104 ALA CB C 13 17.794 0.3 . 1 . . . . . 118 ALA CB . 50751 1 903 . 1 . 1 104 104 ALA N N 15 119.678 0.3 . 1 . . . . . 118 ALA N . 50751 1 904 . 1 . 1 105 105 LYS H H 1 8.341 0.020 . 1 . . . . . 119 LYS H . 50751 1 905 . 1 . 1 105 105 LYS HA H 1 3.923 0.020 . 1 . . . . . 119 LYS HA . 50751 1 906 . 1 . 1 105 105 LYS HB2 H 1 1.926 0.020 . 1 . . . . . 119 LYS HB2 . 50751 1 907 . 1 . 1 105 105 LYS HB3 H 1 1.926 0.020 . 1 . . . . . 119 LYS HB3 . 50751 1 908 . 1 . 1 105 105 LYS HG2 H 1 1.451 0.020 . 1 . . . . . 119 LYS HG2 . 50751 1 909 . 1 . 1 105 105 LYS HG3 H 1 1.451 0.020 . 1 . . . . . 119 LYS HG3 . 50751 1 910 . 1 . 1 105 105 LYS HD2 H 1 1.733 0.020 . 1 . . . . . 119 LYS HD2 . 50751 1 911 . 1 . 1 105 105 LYS HD3 H 1 1.733 0.020 . 1 . . . . . 119 LYS HD3 . 50751 1 912 . 1 . 1 105 105 LYS HE2 H 1 3.052 0.020 . 1 . . . . . 119 LYS HE2 . 50751 1 913 . 1 . 1 105 105 LYS HE3 H 1 3.052 0.020 . 1 . . . . . 119 LYS HE3 . 50751 1 914 . 1 . 1 105 105 LYS C C 13 179.721 0.3 . 1 . . . . . 119 LYS C . 50751 1 915 . 1 . 1 105 105 LYS CA C 13 59.886 0.3 . 1 . . . . . 119 LYS CA . 50751 1 916 . 1 . 1 105 105 LYS CB C 13 33.040 0.3 . 1 . . . . . 119 LYS CB . 50751 1 917 . 1 . 1 105 105 LYS CG C 13 24.905 0.3 . 1 . . . . . 119 LYS CG . 50751 1 918 . 1 . 1 105 105 LYS CD C 13 29.138 0.3 . 1 . . . . . 119 LYS CD . 50751 1 919 . 1 . 1 105 105 LYS CE C 13 42.125 0.3 . 1 . . . . . 119 LYS CE . 50751 1 920 . 1 . 1 105 105 LYS N N 15 113.913 0.3 . 1 . . . . . 119 LYS N . 50751 1 921 . 1 . 1 106 106 ALA H H 1 7.900 0.020 . 1 . . . . . 120 ALA H . 50751 1 922 . 1 . 1 106 106 ALA HA H 1 4.144 0.020 . 1 . . . . . 120 ALA HA . 50751 1 923 . 1 . 1 106 106 ALA HB1 H 1 1.588 0.020 . 1 . . . . . 120 ALA HB . 50751 1 924 . 1 . 1 106 106 ALA HB2 H 1 1.588 0.020 . 1 . . . . . 120 ALA HB . 50751 1 925 . 1 . 1 106 106 ALA HB3 H 1 1.588 0.020 . 1 . . . . . 120 ALA HB . 50751 1 926 . 1 . 1 106 106 ALA CA C 13 55.591 0.3 . 1 . . . . . 120 ALA CA . 50751 1 927 . 1 . 1 106 106 ALA CB C 13 17.900 0.3 . 1 . . . . . 120 ALA CB . 50751 1 928 . 1 . 1 106 106 ALA N N 15 121.565 0.3 . 1 . . . . . 120 ALA N . 50751 1 929 . 1 . 1 107 107 VAL H H 1 8.032 0.020 . 1 . . . . . 121 VAL H . 50751 1 930 . 1 . 1 107 107 VAL HA H 1 4.055 0.020 . 1 . . . . . 121 VAL HA . 50751 1 931 . 1 . 1 107 107 VAL HB H 1 2.033 0.020 . 1 . . . . . 121 VAL HB . 50751 1 932 . 1 . 1 107 107 VAL HG11 H 1 1.172 0.020 . 1 . . . . . 121 VAL HG1 . 50751 1 933 . 1 . 1 107 107 VAL HG12 H 1 1.172 0.020 . 1 . . . . . 121 VAL HG1 . 50751 1 934 . 1 . 1 107 107 VAL HG13 H 1 1.172 0.020 . 1 . . . . . 121 VAL HG1 . 50751 1 935 . 1 . 1 107 107 VAL HG21 H 1 1.030 0.020 . 1 . . . . . 121 VAL HG2 . 50751 1 936 . 1 . 1 107 107 VAL HG22 H 1 1.030 0.020 . 1 . . . . . 121 VAL HG2 . 50751 1 937 . 1 . 1 107 107 VAL HG23 H 1 1.030 0.020 . 1 . . . . . 121 VAL HG2 . 50751 1 938 . 1 . 1 107 107 VAL CA C 13 64.333 0.3 . 1 . . . . . 121 VAL CA . 50751 1 939 . 1 . 1 107 107 VAL CB C 13 31.109 0.3 . 1 . . . . . 121 VAL CB . 50751 1 940 . 1 . 1 107 107 VAL N N 15 108.035 0.3 . 1 . . . . . 121 VAL N . 50751 1 941 . 1 . 1 108 108 GLU H H 1 7.524 0.020 . 1 . . . . . 122 GLU H . 50751 1 942 . 1 . 1 108 108 GLU HA H 1 3.959 0.020 . 1 . . . . . 122 GLU HA . 50751 1 943 . 1 . 1 108 108 GLU HB2 H 1 2.090 0.020 . 1 . . . . . 122 GLU HB2 . 50751 1 944 . 1 . 1 108 108 GLU HB3 H 1 2.090 0.020 . 1 . . . . . 122 GLU HB3 . 50751 1 945 . 1 . 1 108 108 GLU HG2 H 1 2.425 0.020 . 1 . . . . . 122 GLU HG2 . 50751 1 946 . 1 . 1 108 108 GLU HG3 H 1 2.425 0.020 . 1 . . . . . 122 GLU HG3 . 50751 1 947 . 1 . 1 108 108 GLU C C 13 180.109 0.3 . 1 . . . . . 122 GLU C . 50751 1 948 . 1 . 1 108 108 GLU CA C 13 60.177 0.3 . 1 . . . . . 122 GLU CA . 50751 1 949 . 1 . 1 108 108 GLU CB C 13 28.896 0.3 . 1 . . . . . 122 GLU CB . 50751 1 950 . 1 . 1 108 108 GLU CG C 13 36.490 0.3 . 1 . . . . . 122 GLU CG . 50751 1 951 . 1 . 1 108 108 GLU N N 15 121.973 0.3 . 1 . . . . . 122 GLU N . 50751 1 952 . 1 . 1 109 109 LYS H H 1 7.793 0.020 . 1 . . . . . 123 LYS H . 50751 1 953 . 1 . 1 109 109 LYS HA H 1 4.139 0.020 . 1 . . . . . 123 LYS HA . 50751 1 954 . 1 . 1 109 109 LYS HB2 H 1 2.048 0.020 . 1 . . . . . 123 LYS HB2 . 50751 1 955 . 1 . 1 109 109 LYS HB3 H 1 2.048 0.020 . 1 . . . . . 123 LYS HB3 . 50751 1 956 . 1 . 1 109 109 LYS HG2 H 1 1.543 0.020 . 1 . . . . . 123 LYS HG2 . 50751 1 957 . 1 . 1 109 109 LYS HG3 H 1 1.543 0.020 . 1 . . . . . 123 LYS HG3 . 50751 1 958 . 1 . 1 109 109 LYS HD2 H 1 1.735 0.020 . 1 . . . . . 123 LYS HD2 . 50751 1 959 . 1 . 1 109 109 LYS HD3 H 1 1.735 0.020 . 1 . . . . . 123 LYS HD3 . 50751 1 960 . 1 . 1 109 109 LYS HE2 H 1 3.063 0.020 . 1 . . . . . 123 LYS HE2 . 50751 1 961 . 1 . 1 109 109 LYS HE3 H 1 3.063 0.020 . 1 . . . . . 123 LYS HE3 . 50751 1 962 . 1 . 1 109 109 LYS CA C 13 58.566 0.3 . 1 . . . . . 123 LYS CA . 50751 1 963 . 1 . 1 109 109 LYS CB C 13 32.569 0.3 . 1 . . . . . 123 LYS CB . 50751 1 964 . 1 . 1 109 109 LYS CG C 13 24.898 0.3 . 1 . . . . . 123 LYS CG . 50751 1 965 . 1 . 1 109 109 LYS CD C 13 28.847 0.3 . 1 . . . . . 123 LYS CD . 50751 1 966 . 1 . 1 109 109 LYS CE C 13 42.172 0.3 . 1 . . . . . 123 LYS CE . 50751 1 967 . 1 . 1 109 109 LYS N N 15 117.459 0.3 . 1 . . . . . 123 LYS N . 50751 1 968 . 1 . 1 110 110 ILE H H 1 7.116 0.020 . 1 . . . . . 124 ILE H . 50751 1 969 . 1 . 1 110 110 ILE HA H 1 4.486 0.020 . 1 . . . . . 124 ILE HA . 50751 1 970 . 1 . 1 110 110 ILE HB H 1 1.701 0.020 . 1 . . . . . 124 ILE HB . 50751 1 971 . 1 . 1 110 110 ILE HG12 H 1 1.340 0.020 . 1 . . . . . 124 ILE HG12 . 50751 1 972 . 1 . 1 110 110 ILE HG13 H 1 1.340 0.020 . 1 . . . . . 124 ILE HG13 . 50751 1 973 . 1 . 1 110 110 ILE HG21 H 1 0.949 0.020 . 1 . . . . . 124 ILE HG2 . 50751 1 974 . 1 . 1 110 110 ILE HG22 H 1 0.949 0.020 . 1 . . . . . 124 ILE HG2 . 50751 1 975 . 1 . 1 110 110 ILE HG23 H 1 0.949 0.020 . 1 . . . . . 124 ILE HG2 . 50751 1 976 . 1 . 1 110 110 ILE HD11 H 1 0.780 0.020 . 1 . . . . . 124 ILE HD1 . 50751 1 977 . 1 . 1 110 110 ILE HD12 H 1 0.780 0.020 . 1 . . . . . 124 ILE HD1 . 50751 1 978 . 1 . 1 110 110 ILE HD13 H 1 0.780 0.020 . 1 . . . . . 124 ILE HD1 . 50751 1 979 . 1 . 1 110 110 ILE CA C 13 57.450 0.3 . 1 . . . . . 124 ILE CA . 50751 1 980 . 1 . 1 110 110 ILE CB C 13 40.625 0.3 . 1 . . . . . 124 ILE CB . 50751 1 981 . 1 . 1 110 110 ILE CG1 C 13 30.232 0.3 . 1 . . . . . 124 ILE CG1 . 50751 1 982 . 1 . 1 110 110 ILE CG2 C 13 17.843 0.3 . 1 . . . . . 124 ILE CG2 . 50751 1 983 . 1 . 1 110 110 ILE CD1 C 13 15.315 0.3 . 1 . . . . . 124 ILE CD1 . 50751 1 984 . 1 . 1 110 110 ILE N N 15 112.244 0.3 . 1 . . . . . 124 ILE N . 50751 1 985 . 1 . 1 111 111 GLY H H 1 7.366 0.020 . 1 . . . . . 125 GLY H . 50751 1 986 . 1 . 1 111 111 GLY HA2 H 1 4.360 0.020 . 2 . . . . . 125 GLY HA2 . 50751 1 987 . 1 . 1 111 111 GLY HA3 H 1 3.734 0.020 . 2 . . . . . 125 GLY HA3 . 50751 1 988 . 1 . 1 111 111 GLY CA C 13 45.840 0.3 . 1 . . . . . 125 GLY CA . 50751 1 989 . 1 . 1 111 111 GLY N N 15 104.470 0.3 . 1 . . . . . 125 GLY N . 50751 1 990 . 1 . 1 112 112 MET H H 1 7.385 0.020 . 1 . . . . . 126 MET H . 50751 1 991 . 1 . 1 112 112 MET HA H 1 4.622 0.020 . 1 . . . . . 126 MET HA . 50751 1 992 . 1 . 1 112 112 MET HB2 H 1 1.957 0.020 . 1 . . . . . 126 MET HB2 . 50751 1 993 . 1 . 1 112 112 MET HB3 H 1 1.957 0.020 . 1 . . . . . 126 MET HB3 . 50751 1 994 . 1 . 1 112 112 MET CA C 13 55.008 0.3 . 1 . . . . . 126 MET CA . 50751 1 995 . 1 . 1 112 112 MET CB C 13 29.759 0.3 . 1 . . . . . 126 MET CB . 50751 1 996 . 1 . 1 112 112 MET N N 15 119.935 0.3 . 1 . . . . . 126 MET N . 50751 1 997 . 1 . 1 113 113 GLN H H 1 7.607 0.020 . 1 . . . . . 127 GLN H . 50751 1 998 . 1 . 1 113 113 GLN HA H 1 4.149 0.020 . 1 . . . . . 127 GLN HA . 50751 1 999 . 1 . 1 113 113 GLN HB2 H 1 2.124 0.020 . 1 . . . . . 127 GLN HB2 . 50751 1 1000 . 1 . 1 113 113 GLN HB3 H 1 2.124 0.020 . 1 . . . . . 127 GLN HB3 . 50751 1 1001 . 1 . 1 113 113 GLN HG2 H 1 2.410 0.020 . 1 . . . . . 127 GLN HG2 . 50751 1 1002 . 1 . 1 113 113 GLN HG3 H 1 2.410 0.020 . 1 . . . . . 127 GLN HG3 . 50751 1 1003 . 1 . 1 113 113 GLN HE21 H 1 7.723 0.020 . 1 . . . . . 127 GLN HE21 . 50751 1 1004 . 1 . 1 113 113 GLN HE22 H 1 6.993 0.020 . 1 . . . . . 127 GLN HE22 . 50751 1 1005 . 1 . 1 113 113 GLN CA C 13 57.368 0.3 . 1 . . . . . 127 GLN CA . 50751 1 1006 . 1 . 1 113 113 GLN CB C 13 29.546 0.3 . 1 . . . . . 127 GLN CB . 50751 1 1007 . 1 . 1 113 113 GLN CG C 13 33.740 0.3 . 1 . . . . . 127 GLN CG . 50751 1 1008 . 1 . 1 113 113 GLN N N 15 119.659 0.3 . 1 . . . . . 127 GLN N . 50751 1 1009 . 1 . 1 113 113 GLN NE2 N 15 112.717 0.3 . 1 . . . . . 127 GLN NE2 . 50751 1 1010 . 1 . 1 114 114 GLY H H 1 8.831 0.020 . 1 . . . . . 128 GLY H . 50751 1 1011 . 1 . 1 114 114 GLY HA2 H 1 4.142 0.020 . 1 . . . . . 128 GLY HA2 . 50751 1 1012 . 1 . 1 114 114 GLY HA3 H 1 4.142 0.020 . 1 . . . . . 128 GLY HA3 . 50751 1 1013 . 1 . 1 114 114 GLY C C 13 175.709 0.3 . 1 . . . . . 128 GLY C . 50751 1 1014 . 1 . 1 114 114 GLY CA C 13 45.917 0.3 . 1 . . . . . 128 GLY CA . 50751 1 1015 . 1 . 1 114 114 GLY N N 15 109.816 0.3 . 1 . . . . . 128 GLY N . 50751 1 1016 . 1 . 1 115 115 MET H H 1 7.797 0.020 . 1 . . . . . 129 MET H . 50751 1 1017 . 1 . 1 115 115 MET HA H 1 4.333 0.020 . 1 . . . . . 129 MET HA . 50751 1 1018 . 1 . 1 115 115 MET HB2 H 1 1.933 0.020 . 1 . . . . . 129 MET HB2 . 50751 1 1019 . 1 . 1 115 115 MET HB3 H 1 1.933 0.020 . 1 . . . . . 129 MET HB3 . 50751 1 1020 . 1 . 1 115 115 MET C C 13 177.262 0.3 . 1 . . . . . 129 MET C . 50751 1 1021 . 1 . 1 115 115 MET CA C 13 56.742 0.3 . 1 . . . . . 129 MET CA . 50751 1 1022 . 1 . 1 115 115 MET CB C 13 31.245 0.3 . 1 . . . . . 129 MET CB . 50751 1 1023 . 1 . 1 115 115 MET N N 15 122.814 0.3 . 1 . . . . . 129 MET N . 50751 1 1024 . 1 . 1 116 116 LYS H H 1 9.093 0.020 . 1 . . . . . 130 LYS H . 50751 1 1025 . 1 . 1 116 116 LYS HA H 1 3.720 0.020 . 1 . . . . . 130 LYS HA . 50751 1 1026 . 1 . 1 116 116 LYS HB2 H 1 2.003 0.020 . 1 . . . . . 130 LYS HB2 . 50751 1 1027 . 1 . 1 116 116 LYS HB3 H 1 2.003 0.020 . 1 . . . . . 130 LYS HB3 . 50751 1 1028 . 1 . 1 116 116 LYS HG2 H 1 1.431 0.020 . 1 . . . . . 130 LYS HG2 . 50751 1 1029 . 1 . 1 116 116 LYS HG3 H 1 1.431 0.020 . 1 . . . . . 130 LYS HG3 . 50751 1 1030 . 1 . 1 116 116 LYS HD2 H 1 1.722 0.020 . 1 . . . . . 130 LYS HD2 . 50751 1 1031 . 1 . 1 116 116 LYS HD3 H 1 1.722 0.020 . 1 . . . . . 130 LYS HD3 . 50751 1 1032 . 1 . 1 116 116 LYS HE2 H 1 2.988 0.020 . 1 . . . . . 130 LYS HE2 . 50751 1 1033 . 1 . 1 116 116 LYS HE3 H 1 2.988 0.020 . 1 . . . . . 130 LYS HE3 . 50751 1 1034 . 1 . 1 116 116 LYS C C 13 177.909 0.3 . 1 . . . . . 130 LYS C . 50751 1 1035 . 1 . 1 116 116 LYS CA C 13 60.425 0.3 . 1 . . . . . 130 LYS CA . 50751 1 1036 . 1 . 1 116 116 LYS CB C 13 32.079 0.3 . 1 . . . . . 130 LYS CB . 50751 1 1037 . 1 . 1 116 116 LYS CG C 13 25.584 0.3 . 1 . . . . . 130 LYS CG . 50751 1 1038 . 1 . 1 116 116 LYS CD C 13 29.983 0.3 . 1 . . . . . 130 LYS CD . 50751 1 1039 . 1 . 1 116 116 LYS CE C 13 41.713 0.3 . 1 . . . . . 130 LYS CE . 50751 1 1040 . 1 . 1 116 116 LYS N N 15 120.923 0.3 . 1 . . . . . 130 LYS N . 50751 1 1041 . 1 . 1 117 117 GLN H H 1 8.819 0.020 . 1 . . . . . 131 GLN H . 50751 1 1042 . 1 . 1 117 117 GLN HA H 1 4.073 0.020 . 1 . . . . . 131 GLN HA . 50751 1 1043 . 1 . 1 117 117 GLN HB2 H 1 2.205 0.020 . 1 . . . . . 131 GLN HB2 . 50751 1 1044 . 1 . 1 117 117 GLN HB3 H 1 2.205 0.020 . 1 . . . . . 131 GLN HB3 . 50751 1 1045 . 1 . 1 117 117 GLN HG2 H 1 2.474 0.020 . 1 . . . . . 131 GLN HG2 . 50751 1 1046 . 1 . 1 117 117 GLN HG3 H 1 2.474 0.020 . 1 . . . . . 131 GLN HG3 . 50751 1 1047 . 1 . 1 117 117 GLN HE21 H 1 6.836 0.020 . 1 . . . . . 131 GLN HE21 . 50751 1 1048 . 1 . 1 117 117 GLN HE22 H 1 7.892 0.020 . 1 . . . . . 131 GLN HE22 . 50751 1 1049 . 1 . 1 117 117 GLN C C 13 177.722 0.3 . 1 . . . . . 131 GLN C . 50751 1 1050 . 1 . 1 117 117 GLN CA C 13 59.153 0.3 . 1 . . . . . 131 GLN CA . 50751 1 1051 . 1 . 1 117 117 GLN CB C 13 28.081 0.3 . 1 . . . . . 131 GLN CB . 50751 1 1052 . 1 . 1 117 117 GLN CG C 13 36.378 0.3 . 1 . . . . . 131 GLN CG . 50751 1 1053 . 1 . 1 117 117 GLN N N 15 118.491 0.3 . 1 . . . . . 131 GLN N . 50751 1 1054 . 1 . 1 117 117 GLN NE2 N 15 111.637 0.3 . 1 . . . . . 131 GLN NE2 . 50751 1 1055 . 1 . 1 118 118 ALA H H 1 7.726 0.020 . 1 . . . . . 132 ALA H . 50751 1 1056 . 1 . 1 118 118 ALA HA H 1 4.232 0.020 . 1 . . . . . 132 ALA HA . 50751 1 1057 . 1 . 1 118 118 ALA HB1 H 1 1.557 0.020 . 1 . . . . . 132 ALA HB . 50751 1 1058 . 1 . 1 118 118 ALA HB2 H 1 1.557 0.020 . 1 . . . . . 132 ALA HB . 50751 1 1059 . 1 . 1 118 118 ALA HB3 H 1 1.557 0.020 . 1 . . . . . 132 ALA HB . 50751 1 1060 . 1 . 1 118 118 ALA C C 13 180.857 0.3 . 1 . . . . . 132 ALA C . 50751 1 1061 . 1 . 1 118 118 ALA CA C 13 55.261 0.3 . 1 . . . . . 132 ALA CA . 50751 1 1062 . 1 . 1 118 118 ALA CB C 13 17.906 0.3 . 1 . . . . . 132 ALA CB . 50751 1 1063 . 1 . 1 118 118 ALA N N 15 119.475 0.3 . 1 . . . . . 132 ALA N . 50751 1 1064 . 1 . 1 119 119 VAL H H 1 7.761 0.020 . 1 . . . . . 133 VAL H . 50751 1 1065 . 1 . 1 119 119 VAL HA H 1 3.655 0.020 . 1 . . . . . 133 VAL HA . 50751 1 1066 . 1 . 1 119 119 VAL HB H 1 2.182 0.020 . 1 . . . . . 133 VAL HB . 50751 1 1067 . 1 . 1 119 119 VAL HG11 H 1 1.081 0.020 . 1 . . . . . 133 VAL HG1 . 50751 1 1068 . 1 . 1 119 119 VAL HG12 H 1 1.081 0.020 . 1 . . . . . 133 VAL HG1 . 50751 1 1069 . 1 . 1 119 119 VAL HG13 H 1 1.081 0.020 . 1 . . . . . 133 VAL HG1 . 50751 1 1070 . 1 . 1 119 119 VAL HG21 H 1 0.991 0.020 . 1 . . . . . 133 VAL HG2 . 50751 1 1071 . 1 . 1 119 119 VAL HG22 H 1 0.991 0.020 . 1 . . . . . 133 VAL HG2 . 50751 1 1072 . 1 . 1 119 119 VAL HG23 H 1 0.991 0.020 . 1 . . . . . 133 VAL HG2 . 50751 1 1073 . 1 . 1 119 119 VAL CA C 13 67.119 0.3 . 1 . . . . . 133 VAL CA . 50751 1 1074 . 1 . 1 119 119 VAL CB C 13 31.990 0.3 . 1 . . . . . 133 VAL CB . 50751 1 1075 . 1 . 1 119 119 VAL CG1 C 13 22.878 0.3 . 1 . . . . . 133 VAL CG1 . 50751 1 1076 . 1 . 1 119 119 VAL CG2 C 13 22.471 0.3 . 1 . . . . . 133 VAL CG2 . 50751 1 1077 . 1 . 1 119 119 VAL N N 15 117.974 0.3 . 1 . . . . . 133 VAL N . 50751 1 1078 . 1 . 1 120 120 GLU H H 1 8.493 0.020 . 1 . . . . . 134 GLU H . 50751 1 1079 . 1 . 1 120 120 GLU HA H 1 4.270 0.020 . 1 . . . . . 134 GLU HA . 50751 1 1080 . 1 . 1 120 120 GLU HB2 H 1 2.083 0.020 . 1 . . . . . 134 GLU HB2 . 50751 1 1081 . 1 . 1 120 120 GLU HB3 H 1 2.083 0.020 . 1 . . . . . 134 GLU HB3 . 50751 1 1082 . 1 . 1 120 120 GLU HG2 H 1 2.338 0.020 . 1 . . . . . 134 GLU HG2 . 50751 1 1083 . 1 . 1 120 120 GLU HG3 H 1 2.338 0.020 . 1 . . . . . 134 GLU HG3 . 50751 1 1084 . 1 . 1 120 120 GLU CA C 13 60.040 0.3 . 1 . . . . . 134 GLU CA . 50751 1 1085 . 1 . 1 120 120 GLU CB C 13 29.942 0.3 . 1 . . . . . 134 GLU CB . 50751 1 1086 . 1 . 1 120 120 GLU CG C 13 36.592 0.3 . 1 . . . . . 134 GLU CG . 50751 1 1087 . 1 . 1 120 120 GLU N N 15 119.107 0.3 . 1 . . . . . 134 GLU N . 50751 1 1088 . 1 . 1 121 121 GLU H H 1 8.773 0.020 . 1 . . . . . 135 GLU H . 50751 1 1089 . 1 . 1 121 121 GLU HA H 1 4.093 0.020 . 1 . . . . . 135 GLU HA . 50751 1 1090 . 1 . 1 121 121 GLU HB2 H 1 2.107 0.020 . 1 . . . . . 135 GLU HB2 . 50751 1 1091 . 1 . 1 121 121 GLU HB3 H 1 2.107 0.020 . 1 . . . . . 135 GLU HB3 . 50751 1 1092 . 1 . 1 121 121 GLU HG2 H 1 2.504 0.020 . 1 . . . . . 135 GLU HG2 . 50751 1 1093 . 1 . 1 121 121 GLU HG3 H 1 2.504 0.020 . 1 . . . . . 135 GLU HG3 . 50751 1 1094 . 1 . 1 121 121 GLU CA C 13 59.392 0.3 . 1 . . . . . 135 GLU CA . 50751 1 1095 . 1 . 1 121 121 GLU CB C 13 29.412 0.3 . 1 . . . . . 135 GLU CB . 50751 1 1096 . 1 . 1 121 121 GLU CG C 13 36.673 0.3 . 1 . . . . . 135 GLU CG . 50751 1 1097 . 1 . 1 121 121 GLU N N 15 118.511 0.3 . 1 . . . . . 135 GLU N . 50751 1 1098 . 1 . 1 122 122 ALA H H 1 7.869 0.020 . 1 . . . . . 136 ALA H . 50751 1 1099 . 1 . 1 122 122 ALA HA H 1 4.184 0.020 . 1 . . . . . 136 ALA HA . 50751 1 1100 . 1 . 1 122 122 ALA HB1 H 1 1.600 0.020 . 1 . . . . . 136 ALA HB . 50751 1 1101 . 1 . 1 122 122 ALA HB2 H 1 1.600 0.020 . 1 . . . . . 136 ALA HB . 50751 1 1102 . 1 . 1 122 122 ALA HB3 H 1 1.600 0.020 . 1 . . . . . 136 ALA HB . 50751 1 1103 . 1 . 1 122 122 ALA CA C 13 55.178 0.3 . 1 . . . . . 136 ALA CA . 50751 1 1104 . 1 . 1 122 122 ALA CB C 13 18.809 0.3 . 1 . . . . . 136 ALA CB . 50751 1 1105 . 1 . 1 122 122 ALA N N 15 123.262 0.3 . 1 . . . . . 136 ALA N . 50751 1 1106 . 1 . 1 123 123 ALA H H 1 8.010 0.020 . 1 . . . . . 137 ALA H . 50751 1 1107 . 1 . 1 123 123 ALA HA H 1 4.152 0.020 . 1 . . . . . 137 ALA HA . 50751 1 1108 . 1 . 1 123 123 ALA HB1 H 1 1.580 0.020 . 1 . . . . . 137 ALA HB . 50751 1 1109 . 1 . 1 123 123 ALA HB2 H 1 1.580 0.020 . 1 . . . . . 137 ALA HB . 50751 1 1110 . 1 . 1 123 123 ALA HB3 H 1 1.580 0.020 . 1 . . . . . 137 ALA HB . 50751 1 1111 . 1 . 1 123 123 ALA CA C 13 55.093 0.3 . 1 . . . . . 137 ALA CA . 50751 1 1112 . 1 . 1 123 123 ALA CB C 13 18.644 0.3 . 1 . . . . . 137 ALA CB . 50751 1 1113 . 1 . 1 123 123 ALA N N 15 121.000 0.3 . 1 . . . . . 137 ALA N . 50751 1 1114 . 1 . 1 124 124 LYS H H 1 8.346 0.020 . 1 . . . . . 138 LYS H . 50751 1 1115 . 1 . 1 124 124 LYS HA H 1 3.818 0.020 . 1 . . . . . 138 LYS HA . 50751 1 1116 . 1 . 1 124 124 LYS HB2 H 1 1.746 0.020 . 1 . . . . . 138 LYS HB2 . 50751 1 1117 . 1 . 1 124 124 LYS HB3 H 1 1.746 0.020 . 1 . . . . . 138 LYS HB3 . 50751 1 1118 . 1 . 1 124 124 LYS HG2 H 1 1.451 0.020 . 1 . . . . . 138 LYS HG2 . 50751 1 1119 . 1 . 1 124 124 LYS HG3 H 1 1.451 0.020 . 1 . . . . . 138 LYS HG3 . 50751 1 1120 . 1 . 1 124 124 LYS HD2 H 1 1.567 0.020 . 1 . . . . . 138 LYS HD2 . 50751 1 1121 . 1 . 1 124 124 LYS HD3 H 1 1.567 0.020 . 1 . . . . . 138 LYS HD3 . 50751 1 1122 . 1 . 1 124 124 LYS HE2 H 1 2.955 0.020 . 1 . . . . . 138 LYS HE2 . 50751 1 1123 . 1 . 1 124 124 LYS HE3 H 1 2.955 0.020 . 1 . . . . . 138 LYS HE3 . 50751 1 1124 . 1 . 1 124 124 LYS C C 13 177.650 0.3 . 1 . . . . . 138 LYS C . 50751 1 1125 . 1 . 1 124 124 LYS CA C 13 61.293 0.3 . 1 . . . . . 138 LYS CA . 50751 1 1126 . 1 . 1 124 124 LYS CB C 13 33.080 0.3 . 1 . . . . . 138 LYS CB . 50751 1 1127 . 1 . 1 124 124 LYS CG C 13 24.771 0.3 . 1 . . . . . 138 LYS CG . 50751 1 1128 . 1 . 1 124 124 LYS CD C 13 29.193 0.3 . 1 . . . . . 138 LYS CD . 50751 1 1129 . 1 . 1 124 124 LYS CE C 13 42.300 0.3 . 1 . . . . . 138 LYS CE . 50751 1 1130 . 1 . 1 124 124 LYS N N 15 117.244 0.3 . 1 . . . . . 138 LYS N . 50751 1 1131 . 1 . 1 126 126 LYS H H 1 7.888 0.020 . 1 . . . . . 140 LYS H . 50751 1 1132 . 1 . 1 126 126 LYS HA H 1 4.188 0.020 . 1 . . . . . 140 LYS HA . 50751 1 1133 . 1 . 1 126 126 LYS HB2 H 1 1.765 0.020 . 1 . . . . . 140 LYS HB2 . 50751 1 1134 . 1 . 1 126 126 LYS HB3 H 1 1.765 0.020 . 1 . . . . . 140 LYS HB3 . 50751 1 1135 . 1 . 1 126 126 LYS HG2 H 1 1.452 0.020 . 1 . . . . . 140 LYS HG2 . 50751 1 1136 . 1 . 1 126 126 LYS HG3 H 1 1.452 0.020 . 1 . . . . . 140 LYS HG3 . 50751 1 1137 . 1 . 1 126 126 LYS HD2 H 1 1.562 0.020 . 1 . . . . . 140 LYS HD2 . 50751 1 1138 . 1 . 1 126 126 LYS HD3 H 1 1.562 0.020 . 1 . . . . . 140 LYS HD3 . 50751 1 1139 . 1 . 1 126 126 LYS CA C 13 51.666 0.3 . 1 . . . . . 140 LYS CA . 50751 1 1140 . 1 . 1 126 126 LYS CB C 13 33.357 0.3 . 1 . . . . . 140 LYS CB . 50751 1 1141 . 1 . 1 126 126 LYS CG C 13 24.706 0.3 . 1 . . . . . 140 LYS CG . 50751 1 1142 . 1 . 1 126 126 LYS CD C 13 29.040 0.3 . 1 . . . . . 140 LYS CD . 50751 1 1143 . 1 . 1 126 126 LYS CE C 13 42.224 0.3 . 1 . . . . . 140 LYS CE . 50751 1 1144 . 1 . 1 126 126 LYS N N 15 121.007 0.3 . 1 . . . . . 140 LYS N . 50751 1 1145 . 1 . 1 128 128 LYS H H 1 8.533 0.020 . 1 . . . . . 142 LYS H . 50751 1 1146 . 1 . 1 128 128 LYS HA H 1 4.039 0.020 . 1 . . . . . 142 LYS HA . 50751 1 1147 . 1 . 1 128 128 LYS HB2 H 1 1.722 0.020 . 1 . . . . . 142 LYS HB2 . 50751 1 1148 . 1 . 1 128 128 LYS HB3 H 1 1.722 0.020 . 1 . . . . . 142 LYS HB3 . 50751 1 1149 . 1 . 1 128 128 LYS HG2 H 1 1.450 0.020 . 1 . . . . . 142 LYS HG2 . 50751 1 1150 . 1 . 1 128 128 LYS HG3 H 1 1.450 0.020 . 1 . . . . . 142 LYS HG3 . 50751 1 1151 . 1 . 1 128 128 LYS HD2 H 1 1.718 0.020 . 1 . . . . . 142 LYS HD2 . 50751 1 1152 . 1 . 1 128 128 LYS HD3 H 1 1.718 0.020 . 1 . . . . . 142 LYS HD3 . 50751 1 1153 . 1 . 1 128 128 LYS HE2 H 1 2.956 0.020 . 1 . . . . . 142 LYS HE2 . 50751 1 1154 . 1 . 1 128 128 LYS HE3 H 1 2.956 0.020 . 1 . . . . . 142 LYS HE3 . 50751 1 1155 . 1 . 1 128 128 LYS C C 13 172.785 0.3 . 1 . . . . . 142 LYS C . 50751 1 1156 . 1 . 1 128 128 LYS CA C 13 56.484 0.3 . 1 . . . . . 142 LYS CA . 50751 1 1157 . 1 . 1 128 128 LYS CB C 13 32.996 0.3 . 1 . . . . . 142 LYS CB . 50751 1 1158 . 1 . 1 128 128 LYS CG C 13 23.751 0.3 . 1 . . . . . 142 LYS CG . 50751 1 1159 . 1 . 1 128 128 LYS CD C 13 28.878 0.3 . 1 . . . . . 142 LYS CD . 50751 1 1160 . 1 . 1 128 128 LYS CE C 13 41.978 0.3 . 1 . . . . . 142 LYS CE . 50751 1 1161 . 1 . 1 128 128 LYS N N 15 121.322 0.3 . 1 . . . . . 142 LYS N . 50751 1 1162 . 1 . 1 129 129 THR H H 1 6.877 0.020 . 1 . . . . . 143 THR H . 50751 1 1163 . 1 . 1 129 129 THR HA H 1 4.415 0.020 . 1 . . . . . 143 THR HA . 50751 1 1164 . 1 . 1 129 129 THR HB H 1 4.361 0.020 . 1 . . . . . 143 THR HB . 50751 1 1165 . 1 . 1 129 129 THR HG21 H 1 1.276 0.020 . 1 . . . . . 143 THR HG2 . 50751 1 1166 . 1 . 1 129 129 THR HG22 H 1 1.276 0.020 . 1 . . . . . 143 THR HG2 . 50751 1 1167 . 1 . 1 129 129 THR HG23 H 1 1.276 0.020 . 1 . . . . . 143 THR HG2 . 50751 1 1168 . 1 . 1 129 129 THR C C 13 173.868 0.3 . 1 . . . . . 143 THR C . 50751 1 1169 . 1 . 1 129 129 THR CA C 13 60.554 0.3 . 1 . . . . . 143 THR CA . 50751 1 1170 . 1 . 1 129 129 THR CB C 13 68.641 0.3 . 1 . . . . . 143 THR CB . 50751 1 1171 . 1 . 1 129 129 THR CG2 C 13 21.996 0.3 . 1 . . . . . 143 THR CG2 . 50751 1 1172 . 1 . 1 129 129 THR N N 15 100.746 0.3 . 1 . . . . . 143 THR N . 50751 1 1173 . 1 . 1 130 130 THR H H 1 7.338 0.020 . 1 . . . . . 144 THR H . 50751 1 1174 . 1 . 1 130 130 THR HA H 1 4.289 0.020 . 1 . . . . . 144 THR HA . 50751 1 1175 . 1 . 1 130 130 THR HB H 1 4.307 0.020 . 1 . . . . . 144 THR HB . 50751 1 1176 . 1 . 1 130 130 THR HG21 H 1 1.122 0.020 . 1 . . . . . 144 THR HG2 . 50751 1 1177 . 1 . 1 130 130 THR HG22 H 1 1.122 0.020 . 1 . . . . . 144 THR HG2 . 50751 1 1178 . 1 . 1 130 130 THR HG23 H 1 1.122 0.020 . 1 . . . . . 144 THR HG2 . 50751 1 1179 . 1 . 1 130 130 THR C C 13 172.804 0.3 . 1 . . . . . 144 THR C . 50751 1 1180 . 1 . 1 130 130 THR CA C 13 58.277 0.3 . 1 . . . . . 144 THR CA . 50751 1 1181 . 1 . 1 130 130 THR CB C 13 72.652 0.3 . 1 . . . . . 144 THR CB . 50751 1 1182 . 1 . 1 130 130 THR CG2 C 13 21.455 0.3 . 1 . . . . . 144 THR CG2 . 50751 1 1183 . 1 . 1 130 130 THR N N 15 108.119 0.3 . 1 . . . . . 144 THR N . 50751 1 1184 . 1 . 1 131 131 ALA H H 1 7.841 0.020 . 1 . . . . . 145 ALA H . 50751 1 1185 . 1 . 1 131 131 ALA HA H 1 4.290 0.020 . 1 . . . . . 145 ALA HA . 50751 1 1186 . 1 . 1 131 131 ALA HB1 H 1 1.619 0.020 . 1 . . . . . 145 ALA HB . 50751 1 1187 . 1 . 1 131 131 ALA HB2 H 1 1.619 0.020 . 1 . . . . . 145 ALA HB . 50751 1 1188 . 1 . 1 131 131 ALA HB3 H 1 1.619 0.020 . 1 . . . . . 145 ALA HB . 50751 1 1189 . 1 . 1 131 131 ALA CA C 13 55.213 0.3 . 1 . . . . . 145 ALA CA . 50751 1 1190 . 1 . 1 131 131 ALA CB C 13 18.097 0.3 . 1 . . . . . 145 ALA CB . 50751 1 1191 . 1 . 1 131 131 ALA N N 15 122.940 0.3 . 1 . . . . . 145 ALA N . 50751 1 1192 . 1 . 1 132 132 ASP H H 1 8.096 0.020 . 1 . . . . . 146 ASP H . 50751 1 1193 . 1 . 1 132 132 ASP HA H 1 4.260 0.020 . 1 . . . . . 146 ASP HA . 50751 1 1194 . 1 . 1 132 132 ASP HB2 H 1 2.581 0.020 . 2 . . . . . 146 ASP HB2 . 50751 1 1195 . 1 . 1 132 132 ASP HB3 H 1 2.455 0.020 . 2 . . . . . 146 ASP HB3 . 50751 1 1196 . 1 . 1 132 132 ASP CA C 13 56.847 0.3 . 1 . . . . . 146 ASP CA . 50751 1 1197 . 1 . 1 132 132 ASP CB C 13 40.171 0.3 . 1 . . . . . 146 ASP CB . 50751 1 1198 . 1 . 1 132 132 ASP N N 15 113.497 0.3 . 1 . . . . . 146 ASP N . 50751 1 1199 . 1 . 1 133 133 GLY H H 1 8.052 0.020 . 1 . . . . . 147 GLY H . 50751 1 1200 . 1 . 1 133 133 GLY HA3 H 1 3.546 0.020 . 1 . . . . . 147 GLY HA3 . 50751 1 1201 . 1 . 1 133 133 GLY C C 13 175.222 0.3 . 1 . . . . . 147 GLY C . 50751 1 1202 . 1 . 1 133 133 GLY CA C 13 46.915 0.3 . 1 . . . . . 147 GLY CA . 50751 1 1203 . 1 . 1 133 133 GLY N N 15 110.443 0.3 . 1 . . . . . 147 GLY N . 50751 1 1204 . 1 . 1 134 134 ILE H H 1 7.824 0.020 . 1 . . . . . 148 ILE H . 50751 1 1205 . 1 . 1 134 134 ILE HA H 1 3.850 0.020 . 1 . . . . . 148 ILE HA . 50751 1 1206 . 1 . 1 134 134 ILE HB H 1 2.388 0.020 . 1 . . . . . 148 ILE HB . 50751 1 1207 . 1 . 1 134 134 ILE HG12 H 1 1.507 0.020 . 1 . . . . . 148 ILE HG12 . 50751 1 1208 . 1 . 1 134 134 ILE HG13 H 1 1.507 0.020 . 1 . . . . . 148 ILE HG13 . 50751 1 1209 . 1 . 1 134 134 ILE HG21 H 1 0.954 0.020 . 1 . . . . . 148 ILE HG2 . 50751 1 1210 . 1 . 1 134 134 ILE HG22 H 1 0.954 0.020 . 1 . . . . . 148 ILE HG2 . 50751 1 1211 . 1 . 1 134 134 ILE HG23 H 1 0.954 0.020 . 1 . . . . . 148 ILE HG2 . 50751 1 1212 . 1 . 1 134 134 ILE HD11 H 1 1.064 0.020 . 1 . . . . . 148 ILE HD1 . 50751 1 1213 . 1 . 1 134 134 ILE HD12 H 1 1.064 0.020 . 1 . . . . . 148 ILE HD1 . 50751 1 1214 . 1 . 1 134 134 ILE HD13 H 1 1.064 0.020 . 1 . . . . . 148 ILE HD1 . 50751 1 1215 . 1 . 1 134 134 ILE C C 13 178.671 0.3 . 1 . . . . . 148 ILE C . 50751 1 1216 . 1 . 1 134 134 ILE CA C 13 62.139 0.3 . 1 . . . . . 148 ILE CA . 50751 1 1217 . 1 . 1 134 134 ILE CB C 13 34.588 0.3 . 1 . . . . . 148 ILE CB . 50751 1 1218 . 1 . 1 134 134 ILE CG1 C 13 27.886 0.3 . 1 . . . . . 148 ILE CG1 . 50751 1 1219 . 1 . 1 134 134 ILE CG2 C 13 18.566 0.3 . 1 . . . . . 148 ILE CG2 . 50751 1 1220 . 1 . 1 134 134 ILE CD1 C 13 9.265 0.3 . 1 . . . . . 148 ILE CD1 . 50751 1 1221 . 1 . 1 134 134 ILE N N 15 120.489 0.3 . 1 . . . . . 148 ILE N . 50751 1 1222 . 1 . 1 135 135 ILE H H 1 8.443 0.020 . 1 . . . . . 149 ILE H . 50751 1 1223 . 1 . 1 135 135 ILE HA H 1 3.728 0.020 . 1 . . . . . 149 ILE HA . 50751 1 1224 . 1 . 1 135 135 ILE HB H 1 1.956 0.020 . 1 . . . . . 149 ILE HB . 50751 1 1225 . 1 . 1 135 135 ILE HG12 H 1 0.959 0.020 . 1 . . . . . 149 ILE HG12 . 50751 1 1226 . 1 . 1 135 135 ILE HG13 H 1 0.959 0.020 . 1 . . . . . 149 ILE HG13 . 50751 1 1227 . 1 . 1 135 135 ILE HD11 H 1 0.814 0.020 . 1 . . . . . 149 ILE HD1 . 50751 1 1228 . 1 . 1 135 135 ILE HD12 H 1 0.814 0.020 . 1 . . . . . 149 ILE HD1 . 50751 1 1229 . 1 . 1 135 135 ILE HD13 H 1 0.814 0.020 . 1 . . . . . 149 ILE HD1 . 50751 1 1230 . 1 . 1 135 135 ILE C C 13 177.420 0.3 . 1 . . . . . 149 ILE C . 50751 1 1231 . 1 . 1 135 135 ILE CA C 13 65.241 0.3 . 1 . . . . . 149 ILE CA . 50751 1 1232 . 1 . 1 135 135 ILE CB C 13 37.490 0.3 . 1 . . . . . 149 ILE CB . 50751 1 1233 . 1 . 1 135 135 ILE CG1 C 13 29.469 0.3 . 1 . . . . . 149 ILE CG1 . 50751 1 1234 . 1 . 1 135 135 ILE CG2 C 13 17.296 0.3 . 1 . . . . . 149 ILE CG2 . 50751 1 1235 . 1 . 1 135 135 ILE CD1 C 13 13.016 0.3 . 1 . . . . . 149 ILE CD1 . 50751 1 1236 . 1 . 1 135 135 ILE N N 15 118.503 0.3 . 1 . . . . . 149 ILE N . 50751 1 1237 . 1 . 1 136 136 ALA H H 1 7.725 0.020 . 1 . . . . . 150 ALA H . 50751 1 1238 . 1 . 1 136 136 ALA HA H 1 4.171 0.020 . 1 . . . . . 150 ALA HA . 50751 1 1239 . 1 . 1 136 136 ALA HB1 H 1 1.586 0.020 . 1 . . . . . 150 ALA HB . 50751 1 1240 . 1 . 1 136 136 ALA HB2 H 1 1.586 0.020 . 1 . . . . . 150 ALA HB . 50751 1 1241 . 1 . 1 136 136 ALA HB3 H 1 1.586 0.020 . 1 . . . . . 150 ALA HB . 50751 1 1242 . 1 . 1 136 136 ALA CA C 13 55.041 0.3 . 1 . . . . . 150 ALA CA . 50751 1 1243 . 1 . 1 136 136 ALA CB C 13 18.768 0.3 . 1 . . . . . 150 ALA CB . 50751 1 1244 . 1 . 1 136 136 ALA N N 15 121.389 0.3 . 1 . . . . . 150 ALA N . 50751 1 1245 . 1 . 1 137 137 ILE H H 1 8.278 0.020 . 1 . . . . . 151 ILE H . 50751 1 1246 . 1 . 1 137 137 ILE HA H 1 3.561 0.020 . 1 . . . . . 151 ILE HA . 50751 1 1247 . 1 . 1 137 137 ILE HB H 1 2.200 0.020 . 1 . . . . . 151 ILE HB . 50751 1 1248 . 1 . 1 137 137 ILE HG12 H 1 1.000 0.020 . 2 . . . . . 151 ILE HG12 . 50751 1 1249 . 1 . 1 137 137 ILE HG13 H 1 1.157 0.020 . 2 . . . . . 151 ILE HG13 . 50751 1 1250 . 1 . 1 137 137 ILE HD11 H 1 0.871 0.020 . 1 . . . . . 151 ILE HD1 . 50751 1 1251 . 1 . 1 137 137 ILE HD12 H 1 0.871 0.020 . 1 . . . . . 151 ILE HD1 . 50751 1 1252 . 1 . 1 137 137 ILE HD13 H 1 0.871 0.020 . 1 . . . . . 151 ILE HD1 . 50751 1 1253 . 1 . 1 137 137 ILE CA C 13 66.278 0.3 . 1 . . . . . 151 ILE CA . 50751 1 1254 . 1 . 1 137 137 ILE CB C 13 38.870 0.3 . 1 . . . . . 151 ILE CB . 50751 1 1255 . 1 . 1 137 137 ILE CG1 C 13 29.799 0.3 . 1 . . . . . 151 ILE CG1 . 50751 1 1256 . 1 . 1 137 137 ILE CG2 C 13 18.701 0.3 . 1 . . . . . 151 ILE CG2 . 50751 1 1257 . 1 . 1 137 137 ILE CD1 C 13 13.578 0.3 . 1 . . . . . 151 ILE CD1 . 50751 1 1258 . 1 . 1 137 137 ILE N N 15 120.975 0.3 . 1 . . . . . 151 ILE N . 50751 1 1259 . 1 . 1 138 138 VAL H H 1 8.943 0.020 . 1 . . . . . 152 VAL H . 50751 1 1260 . 1 . 1 138 138 VAL HA H 1 3.468 0.020 . 1 . . . . . 152 VAL HA . 50751 1 1261 . 1 . 1 138 138 VAL HB H 1 2.498 0.020 . 1 . . . . . 152 VAL HB . 50751 1 1262 . 1 . 1 138 138 VAL HG11 H 1 1.021 0.020 . 1 . . . . . 152 VAL HG1 . 50751 1 1263 . 1 . 1 138 138 VAL HG12 H 1 1.021 0.020 . 1 . . . . . 152 VAL HG1 . 50751 1 1264 . 1 . 1 138 138 VAL HG13 H 1 1.021 0.020 . 1 . . . . . 152 VAL HG1 . 50751 1 1265 . 1 . 1 138 138 VAL C C 13 177.927 0.3 . 1 . . . . . 152 VAL C . 50751 1 1266 . 1 . 1 138 138 VAL CA C 13 67.103 0.3 . 1 . . . . . 152 VAL CA . 50751 1 1267 . 1 . 1 138 138 VAL CB C 13 31.164 0.3 . 1 . . . . . 152 VAL CB . 50751 1 1268 . 1 . 1 138 138 VAL CG1 C 13 22.500 0.3 . 1 . . . . . 152 VAL CG1 . 50751 1 1269 . 1 . 1 138 138 VAL CG2 C 13 22.486 0.3 . 1 . . . . . 152 VAL CG2 . 50751 1 1270 . 1 . 1 138 138 VAL N N 15 120.649 0.3 . 1 . . . . . 152 VAL N . 50751 1 1271 . 1 . 1 139 139 LYS H H 1 8.285 0.020 . 1 . . . . . 153 LYS H . 50751 1 1272 . 1 . 1 139 139 LYS HA H 1 3.978 0.020 . 1 . . . . . 153 LYS HA . 50751 1 1273 . 1 . 1 139 139 LYS HB2 H 1 2.026 0.020 . 1 . . . . . 153 LYS HB2 . 50751 1 1274 . 1 . 1 139 139 LYS HB3 H 1 2.026 0.020 . 1 . . . . . 153 LYS HB3 . 50751 1 1275 . 1 . 1 139 139 LYS HG2 H 1 1.582 0.020 . 1 . . . . . 153 LYS HG2 . 50751 1 1276 . 1 . 1 139 139 LYS HG3 H 1 1.582 0.020 . 1 . . . . . 153 LYS HG3 . 50751 1 1277 . 1 . 1 139 139 LYS HD2 H 1 1.717 0.020 . 1 . . . . . 153 LYS HD2 . 50751 1 1278 . 1 . 1 139 139 LYS HD3 H 1 1.717 0.020 . 1 . . . . . 153 LYS HD3 . 50751 1 1279 . 1 . 1 139 139 LYS HE2 H 1 3.054 0.020 . 1 . . . . . 153 LYS HE2 . 50751 1 1280 . 1 . 1 139 139 LYS HE3 H 1 3.054 0.020 . 1 . . . . . 153 LYS HE3 . 50751 1 1281 . 1 . 1 139 139 LYS CA C 13 60.343 0.3 . 1 . . . . . 153 LYS CA . 50751 1 1282 . 1 . 1 139 139 LYS CB C 13 32.112 0.3 . 1 . . . . . 153 LYS CB . 50751 1 1283 . 1 . 1 139 139 LYS CG C 13 25.699 0.3 . 1 . . . . . 153 LYS CG . 50751 1 1284 . 1 . 1 139 139 LYS CD C 13 29.221 0.3 . 1 . . . . . 153 LYS CD . 50751 1 1285 . 1 . 1 139 139 LYS CE C 13 42.018 0.3 . 1 . . . . . 153 LYS CE . 50751 1 1286 . 1 . 1 139 139 LYS N N 15 118.199 0.3 . 1 . . . . . 153 LYS N . 50751 1 1287 . 1 . 1 140 140 VAL H H 1 7.671 0.020 . 1 . . . . . 154 VAL H . 50751 1 1288 . 1 . 1 140 140 VAL HA H 1 3.832 0.020 . 1 . . . . . 154 VAL HA . 50751 1 1289 . 1 . 1 140 140 VAL HB H 1 2.346 0.020 . 1 . . . . . 154 VAL HB . 50751 1 1290 . 1 . 1 140 140 VAL HG11 H 1 1.190 0.020 . 1 . . . . . 154 VAL HG1 . 50751 1 1291 . 1 . 1 140 140 VAL HG12 H 1 1.190 0.020 . 1 . . . . . 154 VAL HG1 . 50751 1 1292 . 1 . 1 140 140 VAL HG13 H 1 1.190 0.020 . 1 . . . . . 154 VAL HG1 . 50751 1 1293 . 1 . 1 140 140 VAL HG21 H 1 0.982 0.020 . 1 . . . . . 154 VAL HG2 . 50751 1 1294 . 1 . 1 140 140 VAL HG22 H 1 0.982 0.020 . 1 . . . . . 154 VAL HG2 . 50751 1 1295 . 1 . 1 140 140 VAL HG23 H 1 0.982 0.020 . 1 . . . . . 154 VAL HG2 . 50751 1 1296 . 1 . 1 140 140 VAL CA C 13 66.416 0.3 . 1 . . . . . 154 VAL CA . 50751 1 1297 . 1 . 1 140 140 VAL CB C 13 31.501 0.3 . 1 . . . . . 154 VAL CB . 50751 1 1298 . 1 . 1 140 140 VAL CG1 C 13 22.040 0.3 . 1 . . . . . 154 VAL CG1 . 50751 1 1299 . 1 . 1 140 140 VAL CG2 C 13 21.100 0.3 . 1 . . . . . 154 VAL CG2 . 50751 1 1300 . 1 . 1 140 140 VAL N N 15 120.488 0.3 . 1 . . . . . 154 VAL N . 50751 1 1301 . 1 . 1 141 141 MET H H 1 8.275 0.020 . 1 . . . . . 155 MET H . 50751 1 1302 . 1 . 1 141 141 MET HA H 1 3.955 0.020 . 1 . . . . . 155 MET HA . 50751 1 1303 . 1 . 1 141 141 MET HB2 H 1 2.089 0.020 . 2 . . . . . 155 MET HB2 . 50751 1 1304 . 1 . 1 141 141 MET HB3 H 1 2.059 0.020 . 2 . . . . . 155 MET HB3 . 50751 1 1305 . 1 . 1 141 141 MET HG2 H 1 2.370 0.020 . 1 . . . . . 155 MET HG2 . 50751 1 1306 . 1 . 1 141 141 MET HG3 H 1 2.370 0.020 . 1 . . . . . 155 MET HG3 . 50751 1 1307 . 1 . 1 141 141 MET CA C 13 60.053 0.3 . 1 . . . . . 155 MET CA . 50751 1 1308 . 1 . 1 141 141 MET CB C 13 31.813 0.3 . 1 . . . . . 155 MET CB . 50751 1 1309 . 1 . 1 141 141 MET CG C 13 34.074 0.3 . 1 . . . . . 155 MET CG . 50751 1 1310 . 1 . 1 141 141 MET N N 15 120.022 0.3 . 1 . . . . . 155 MET N . 50751 1 1311 . 1 . 1 142 142 LYS H H 1 9.437 0.020 . 1 . . . . . 156 LYS H . 50751 1 1312 . 1 . 1 142 142 LYS HA H 1 3.662 0.020 . 1 . . . . . 156 LYS HA . 50751 1 1313 . 1 . 1 142 142 LYS HB2 H 1 2.008 0.020 . 1 . . . . . 156 LYS HB2 . 50751 1 1314 . 1 . 1 142 142 LYS HB3 H 1 2.008 0.020 . 1 . . . . . 156 LYS HB3 . 50751 1 1315 . 1 . 1 142 142 LYS HG2 H 1 1.451 0.020 . 1 . . . . . 156 LYS HG2 . 50751 1 1316 . 1 . 1 142 142 LYS HG3 H 1 1.451 0.020 . 1 . . . . . 156 LYS HG3 . 50751 1 1317 . 1 . 1 142 142 LYS HD2 H 1 1.732 0.020 . 1 . . . . . 156 LYS HD2 . 50751 1 1318 . 1 . 1 142 142 LYS HD3 H 1 1.732 0.020 . 1 . . . . . 156 LYS HD3 . 50751 1 1319 . 1 . 1 142 142 LYS HE2 H 1 2.983 0.020 . 1 . . . . . 156 LYS HE2 . 50751 1 1320 . 1 . 1 142 142 LYS HE3 H 1 2.983 0.020 . 1 . . . . . 156 LYS HE3 . 50751 1 1321 . 1 . 1 142 142 LYS CA C 13 60.806 0.3 . 1 . . . . . 156 LYS CA . 50751 1 1322 . 1 . 1 142 142 LYS CB C 13 33.104 0.3 . 1 . . . . . 156 LYS CB . 50751 1 1323 . 1 . 1 142 142 LYS CG C 13 25.153 0.3 . 1 . . . . . 156 LYS CG . 50751 1 1324 . 1 . 1 142 142 LYS CD C 13 29.979 0.3 . 1 . . . . . 156 LYS CD . 50751 1 1325 . 1 . 1 142 142 LYS CE C 13 41.762 0.3 . 1 . . . . . 156 LYS CE . 50751 1 1326 . 1 . 1 142 142 LYS N N 15 119.701 0.3 . 1 . . . . . 156 LYS N . 50751 1 1327 . 1 . 1 143 143 ALA H H 1 7.630 0.020 . 1 . . . . . 157 ALA H . 50751 1 1328 . 1 . 1 143 143 ALA HA H 1 4.245 0.020 . 1 . . . . . 157 ALA HA . 50751 1 1329 . 1 . 1 143 143 ALA HB1 H 1 1.661 0.020 . 1 . . . . . 157 ALA HB . 50751 1 1330 . 1 . 1 143 143 ALA HB2 H 1 1.661 0.020 . 1 . . . . . 157 ALA HB . 50751 1 1331 . 1 . 1 143 143 ALA HB3 H 1 1.661 0.020 . 1 . . . . . 157 ALA HB . 50751 1 1332 . 1 . 1 143 143 ALA CA C 13 55.095 0.3 . 1 . . . . . 157 ALA CA . 50751 1 1333 . 1 . 1 143 143 ALA CB C 13 17.900 0.3 . 1 . . . . . 157 ALA CB . 50751 1 1334 . 1 . 1 143 143 ALA N N 15 119.011 0.3 . 1 . . . . . 157 ALA N . 50751 1 1335 . 1 . 1 144 144 LYS H H 1 7.616 0.020 . 1 . . . . . 158 LYS H . 50751 1 1336 . 1 . 1 144 144 LYS HA H 1 4.182 0.020 . 1 . . . . . 158 LYS HA . 50751 1 1337 . 1 . 1 144 144 LYS HB2 H 1 2.043 0.020 . 1 . . . . . 158 LYS HB2 . 50751 1 1338 . 1 . 1 144 144 LYS HB3 H 1 2.043 0.020 . 1 . . . . . 158 LYS HB3 . 50751 1 1339 . 1 . 1 144 144 LYS HG2 H 1 1.574 0.020 . 1 . . . . . 158 LYS HG2 . 50751 1 1340 . 1 . 1 144 144 LYS HG3 H 1 1.574 0.020 . 1 . . . . . 158 LYS HG3 . 50751 1 1341 . 1 . 1 144 144 LYS HD2 H 1 1.736 0.020 . 1 . . . . . 158 LYS HD2 . 50751 1 1342 . 1 . 1 144 144 LYS HD3 H 1 1.736 0.020 . 1 . . . . . 158 LYS HD3 . 50751 1 1343 . 1 . 1 144 144 LYS HE2 H 1 3.054 0.020 . 1 . . . . . 158 LYS HE2 . 50751 1 1344 . 1 . 1 144 144 LYS HE3 H 1 3.054 0.020 . 1 . . . . . 158 LYS HE3 . 50751 1 1345 . 1 . 1 144 144 LYS CA C 13 59.425 0.3 . 1 . . . . . 158 LYS CA . 50751 1 1346 . 1 . 1 144 144 LYS CB C 13 32.155 0.3 . 1 . . . . . 158 LYS CB . 50751 1 1347 . 1 . 1 144 144 LYS CG C 13 25.034 0.3 . 1 . . . . . 158 LYS CG . 50751 1 1348 . 1 . 1 144 144 LYS CD C 13 28.975 0.3 . 1 . . . . . 158 LYS CD . 50751 1 1349 . 1 . 1 144 144 LYS CE C 13 42.080 0.3 . 1 . . . . . 158 LYS CE . 50751 1 1350 . 1 . 1 144 144 LYS N N 15 117.857 0.3 . 1 . . . . . 158 LYS N . 50751 1 1351 . 1 . 1 145 145 VAL H H 1 8.519 0.020 . 1 . . . . . 159 VAL H . 50751 1 1352 . 1 . 1 145 145 VAL HA H 1 3.659 0.020 . 1 . . . . . 159 VAL HA . 50751 1 1353 . 1 . 1 145 145 VAL HB H 1 2.174 0.020 . 1 . . . . . 159 VAL HB . 50751 1 1354 . 1 . 1 145 145 VAL HG11 H 1 1.104 0.020 . 1 . . . . . 159 VAL HG1 . 50751 1 1355 . 1 . 1 145 145 VAL HG12 H 1 1.104 0.020 . 1 . . . . . 159 VAL HG1 . 50751 1 1356 . 1 . 1 145 145 VAL HG13 H 1 1.104 0.020 . 1 . . . . . 159 VAL HG1 . 50751 1 1357 . 1 . 1 145 145 VAL HG21 H 1 1.104 0.020 . 1 . . . . . 159 VAL HG2 . 50751 1 1358 . 1 . 1 145 145 VAL HG22 H 1 1.104 0.020 . 1 . . . . . 159 VAL HG2 . 50751 1 1359 . 1 . 1 145 145 VAL HG23 H 1 1.104 0.020 . 1 . . . . . 159 VAL HG2 . 50751 1 1360 . 1 . 1 145 145 VAL CA C 13 66.829 0.3 . 1 . . . . . 159 VAL CA . 50751 1 1361 . 1 . 1 145 145 VAL CB C 13 31.412 0.3 . 1 . . . . . 159 VAL CB . 50751 1 1362 . 1 . 1 145 145 VAL N N 15 120.125 0.3 . 1 . . . . . 159 VAL N . 50751 1 1363 . 1 . 1 146 146 GLU H H 1 8.848 0.020 . 1 . . . . . 160 GLU H . 50751 1 1364 . 1 . 1 146 146 GLU HA H 1 3.960 0.020 . 1 . . . . . 160 GLU HA . 50751 1 1365 . 1 . 1 146 146 GLU HB2 H 1 2.074 0.020 . 1 . . . . . 160 GLU HB2 . 50751 1 1366 . 1 . 1 146 146 GLU HB3 H 1 2.074 0.020 . 1 . . . . . 160 GLU HB3 . 50751 1 1367 . 1 . 1 146 146 GLU HG2 H 1 2.422 0.020 . 1 . . . . . 160 GLU HG2 . 50751 1 1368 . 1 . 1 146 146 GLU HG3 H 1 2.422 0.020 . 1 . . . . . 160 GLU HG3 . 50751 1 1369 . 1 . 1 146 146 GLU C C 13 179.160 0.3 . 1 . . . . . 160 GLU C . 50751 1 1370 . 1 . 1 146 146 GLU CA C 13 60.007 0.3 . 1 . . . . . 160 GLU CA . 50751 1 1371 . 1 . 1 146 146 GLU CB C 13 29.351 0.3 . 1 . . . . . 160 GLU CB . 50751 1 1372 . 1 . 1 146 146 GLU CG C 13 36.450 0.3 . 1 . . . . . 160 GLU CG . 50751 1 1373 . 1 . 1 146 146 GLU N N 15 119.757 0.3 . 1 . . . . . 160 GLU N . 50751 1 1374 . 1 . 1 147 147 ASN H H 1 7.851 0.020 . 1 . . . . . 161 ASN H . 50751 1 1375 . 1 . 1 147 147 ASN HA H 1 4.585 0.020 . 1 . . . . . 161 ASN HA . 50751 1 1376 . 1 . 1 147 147 ASN HB2 H 1 3.049 0.020 . 2 . . . . . 161 ASN HB2 . 50751 1 1377 . 1 . 1 147 147 ASN HB3 H 1 2.940 0.020 . 2 . . . . . 161 ASN HB3 . 50751 1 1378 . 1 . 1 147 147 ASN HD21 H 1 6.846 0.020 . 1 . . . . . 161 ASN HD21 . 50751 1 1379 . 1 . 1 147 147 ASN HD22 H 1 7.505 0.020 . 1 . . . . . 161 ASN HD22 . 50751 1 1380 . 1 . 1 147 147 ASN CA C 13 57.021 0.3 . 1 . . . . . 161 ASN CA . 50751 1 1381 . 1 . 1 147 147 ASN CB C 13 39.435 0.3 . 1 . . . . . 161 ASN CB . 50751 1 1382 . 1 . 1 147 147 ASN N N 15 117.640 0.3 . 1 . . . . . 161 ASN N . 50751 1 1383 . 1 . 1 147 147 ASN ND2 N 15 112.056 0.3 . 1 . . . . . 161 ASN ND2 . 50751 1 1384 . 1 . 1 148 148 ILE H H 1 7.221 0.020 . 1 . . . . . 162 ILE H . 50751 1 1385 . 1 . 1 148 148 ILE HA H 1 4.010 0.020 . 1 . . . . . 162 ILE HA . 50751 1 1386 . 1 . 1 148 148 ILE HB H 1 2.136 0.020 . 1 . . . . . 162 ILE HB . 50751 1 1387 . 1 . 1 148 148 ILE HG12 H 1 1.172 0.020 . 2 . . . . . 162 ILE HG12 . 50751 1 1388 . 1 . 1 148 148 ILE HG13 H 1 1.386 0.020 . 2 . . . . . 162 ILE HG13 . 50751 1 1389 . 1 . 1 148 148 ILE HG21 H 1 0.988 0.020 . 1 . . . . . 162 ILE HG2 . 50751 1 1390 . 1 . 1 148 148 ILE HG22 H 1 0.988 0.020 . 1 . . . . . 162 ILE HG2 . 50751 1 1391 . 1 . 1 148 148 ILE HG23 H 1 0.988 0.020 . 1 . . . . . 162 ILE HG2 . 50751 1 1392 . 1 . 1 148 148 ILE HD11 H 1 0.951 0.020 . 1 . . . . . 162 ILE HD1 . 50751 1 1393 . 1 . 1 148 148 ILE HD12 H 1 0.951 0.020 . 1 . . . . . 162 ILE HD1 . 50751 1 1394 . 1 . 1 148 148 ILE HD13 H 1 0.951 0.020 . 1 . . . . . 162 ILE HD1 . 50751 1 1395 . 1 . 1 148 148 ILE C C 13 177.694 0.3 . 1 . . . . . 162 ILE C . 50751 1 1396 . 1 . 1 148 148 ILE CA C 13 62.710 0.3 . 1 . . . . . 162 ILE CA . 50751 1 1397 . 1 . 1 148 148 ILE CB C 13 37.166 0.3 . 1 . . . . . 162 ILE CB . 50751 1 1398 . 1 . 1 148 148 ILE CG1 C 13 30.144 0.3 . 1 . . . . . 162 ILE CG1 . 50751 1 1399 . 1 . 1 148 148 ILE CG2 C 13 17.343 0.3 . 1 . . . . . 162 ILE CG2 . 50751 1 1400 . 1 . 1 148 148 ILE CD1 C 13 13.165 0.3 . 1 . . . . . 162 ILE CD1 . 50751 1 1401 . 1 . 1 148 148 ILE N N 15 118.350 0.3 . 1 . . . . . 162 ILE N . 50751 1 1402 . 1 . 1 149 149 LYS H H 1 8.625 0.020 . 1 . . . . . 163 LYS H . 50751 1 1403 . 1 . 1 149 149 LYS HA H 1 4.212 0.020 . 1 . . . . . 163 LYS HA . 50751 1 1404 . 1 . 1 149 149 LYS HB2 H 1 2.042 0.020 . 1 . . . . . 163 LYS HB2 . 50751 1 1405 . 1 . 1 149 149 LYS HB3 H 1 2.042 0.020 . 1 . . . . . 163 LYS HB3 . 50751 1 1406 . 1 . 1 149 149 LYS HG2 H 1 1.576 0.020 . 1 . . . . . 163 LYS HG2 . 50751 1 1407 . 1 . 1 149 149 LYS HG3 H 1 1.576 0.020 . 1 . . . . . 163 LYS HG3 . 50751 1 1408 . 1 . 1 149 149 LYS HD2 H 1 1.736 0.020 . 1 . . . . . 163 LYS HD2 . 50751 1 1409 . 1 . 1 149 149 LYS HD3 H 1 1.736 0.020 . 1 . . . . . 163 LYS HD3 . 50751 1 1410 . 1 . 1 149 149 LYS HE2 H 1 3.060 0.020 . 1 . . . . . 163 LYS HE2 . 50751 1 1411 . 1 . 1 149 149 LYS HE3 H 1 3.060 0.020 . 1 . . . . . 163 LYS HE3 . 50751 1 1412 . 1 . 1 149 149 LYS C C 13 178.606 0.3 . 1 . . . . . 163 LYS C . 50751 1 1413 . 1 . 1 149 149 LYS CA C 13 59.231 0.3 . 1 . . . . . 163 LYS CA . 50751 1 1414 . 1 . 1 149 149 LYS CB C 13 31.963 0.3 . 1 . . . . . 163 LYS CB . 50751 1 1415 . 1 . 1 149 149 LYS CG C 13 24.998 0.3 . 1 . . . . . 163 LYS CG . 50751 1 1416 . 1 . 1 149 149 LYS CD C 13 28.826 0.3 . 1 . . . . . 163 LYS CD . 50751 1 1417 . 1 . 1 149 149 LYS CE C 13 42.210 0.3 . 1 . . . . . 163 LYS CE . 50751 1 1418 . 1 . 1 149 149 LYS N N 15 115.081 0.3 . 1 . . . . . 163 LYS N . 50751 1 1419 . 1 . 1 150 150 GLU H H 1 8.377 0.020 . 1 . . . . . 164 GLU H . 50751 1 1420 . 1 . 1 150 150 GLU HA H 1 4.082 0.020 . 1 . . . . . 164 GLU HA . 50751 1 1421 . 1 . 1 150 150 GLU HB2 H 1 2.200 0.020 . 1 . . . . . 164 GLU HB2 . 50751 1 1422 . 1 . 1 150 150 GLU HB3 H 1 2.200 0.020 . 1 . . . . . 164 GLU HB3 . 50751 1 1423 . 1 . 1 150 150 GLU HG2 H 1 2.402 0.020 . 1 . . . . . 164 GLU HG2 . 50751 1 1424 . 1 . 1 150 150 GLU HG3 H 1 2.402 0.020 . 1 . . . . . 164 GLU HG3 . 50751 1 1425 . 1 . 1 150 150 GLU CA C 13 59.514 0.3 . 1 . . . . . 164 GLU CA . 50751 1 1426 . 1 . 1 150 150 GLU CB C 13 29.566 0.3 . 1 . . . . . 164 GLU CB . 50751 1 1427 . 1 . 1 150 150 GLU CG C 13 36.490 0.3 . 1 . . . . . 164 GLU CG . 50751 1 1428 . 1 . 1 150 150 GLU N N 15 118.581 0.3 . 1 . . . . . 164 GLU N . 50751 1 1429 . 1 . 1 151 151 LYS H H 1 7.943 0.020 . 1 . . . . . 165 LYS H . 50751 1 1430 . 1 . 1 151 151 LYS HA H 1 4.200 0.020 . 1 . . . . . 165 LYS HA . 50751 1 1431 . 1 . 1 151 151 LYS HB2 H 1 2.048 0.020 . 1 . . . . . 165 LYS HB2 . 50751 1 1432 . 1 . 1 151 151 LYS HB3 H 1 2.048 0.020 . 1 . . . . . 165 LYS HB3 . 50751 1 1433 . 1 . 1 151 151 LYS HG2 H 1 1.571 0.020 . 1 . . . . . 165 LYS HG2 . 50751 1 1434 . 1 . 1 151 151 LYS HG3 H 1 1.571 0.020 . 1 . . . . . 165 LYS HG3 . 50751 1 1435 . 1 . 1 151 151 LYS HD2 H 1 1.736 0.020 . 1 . . . . . 165 LYS HD2 . 50751 1 1436 . 1 . 1 151 151 LYS HD3 H 1 1.736 0.020 . 1 . . . . . 165 LYS HD3 . 50751 1 1437 . 1 . 1 151 151 LYS HE2 H 1 3.053 0.020 . 1 . . . . . 165 LYS HE2 . 50751 1 1438 . 1 . 1 151 151 LYS HE3 H 1 3.053 0.020 . 1 . . . . . 165 LYS HE3 . 50751 1 1439 . 1 . 1 151 151 LYS CA C 13 58.525 0.3 . 1 . . . . . 165 LYS CA . 50751 1 1440 . 1 . 1 151 151 LYS CB C 13 32.438 0.3 . 1 . . . . . 165 LYS CB . 50751 1 1441 . 1 . 1 151 151 LYS CG C 13 25.428 0.3 . 1 . . . . . 165 LYS CG . 50751 1 1442 . 1 . 1 151 151 LYS CD C 13 29.131 0.3 . 1 . . . . . 165 LYS CD . 50751 1 1443 . 1 . 1 151 151 LYS CE C 13 42.224 0.3 . 1 . . . . . 165 LYS CE . 50751 1 1444 . 1 . 1 151 151 LYS N N 15 118.324 0.3 . 1 . . . . . 165 LYS N . 50751 1 1445 . 1 . 1 152 152 GLN H H 1 8.088 0.020 . 1 . . . . . 166 GLN H . 50751 1 1446 . 1 . 1 152 152 GLN HA H 1 4.346 0.020 . 1 . . . . . 166 GLN HA . 50751 1 1447 . 1 . 1 152 152 GLN HB2 H 1 1.950 0.020 . 2 . . . . . 166 GLN HB2 . 50751 1 1448 . 1 . 1 152 152 GLN HB3 H 1 1.871 0.020 . 2 . . . . . 166 GLN HB3 . 50751 1 1449 . 1 . 1 152 152 GLN HG2 H 1 2.410 0.020 . 1 . . . . . 166 GLN HG2 . 50751 1 1450 . 1 . 1 152 152 GLN HG3 H 1 2.410 0.020 . 1 . . . . . 166 GLN HG3 . 50751 1 1451 . 1 . 1 152 152 GLN HE21 H 1 7.672 0.020 . 1 . . . . . 166 GLN HE21 . 50751 1 1452 . 1 . 1 152 152 GLN HE22 H 1 6.809 0.020 . 1 . . . . . 166 GLN HE22 . 50751 1 1453 . 1 . 1 152 152 GLN CA C 13 56.624 0.3 . 1 . . . . . 166 GLN CA . 50751 1 1454 . 1 . 1 152 152 GLN CB C 13 28.972 0.3 . 1 . . . . . 166 GLN CB . 50751 1 1455 . 1 . 1 152 152 GLN CG C 13 37.085 0.3 . 1 . . . . . 166 GLN CG . 50751 1 1456 . 1 . 1 152 152 GLN N N 15 116.035 0.3 . 1 . . . . . 166 GLN N . 50751 1 1457 . 1 . 1 152 152 GLN NE2 N 15 111.722 0.3 . 1 . . . . . 166 GLN NE2 . 50751 1 1458 . 1 . 1 153 153 THR H H 1 8.036 0.020 . 1 . . . . . 167 THR H . 50751 1 1459 . 1 . 1 153 153 THR HA H 1 4.256 0.020 . 1 . . . . . 167 THR HA . 50751 1 1460 . 1 . 1 153 153 THR HB H 1 4.374 0.020 . 1 . . . . . 167 THR HB . 50751 1 1461 . 1 . 1 153 153 THR HG21 H 1 1.292 0.020 . 1 . . . . . 167 THR HG2 . 50751 1 1462 . 1 . 1 153 153 THR HG22 H 1 1.292 0.020 . 1 . . . . . 167 THR HG2 . 50751 1 1463 . 1 . 1 153 153 THR HG23 H 1 1.292 0.020 . 1 . . . . . 167 THR HG2 . 50751 1 1464 . 1 . 1 153 153 THR C C 13 175.278 0.3 . 1 . . . . . 167 THR C . 50751 1 1465 . 1 . 1 153 153 THR CA C 13 63.565 0.3 . 1 . . . . . 167 THR CA . 50751 1 1466 . 1 . 1 153 153 THR CB C 13 69.671 0.3 . 1 . . . . . 167 THR CB . 50751 1 1467 . 1 . 1 153 153 THR CG2 C 13 21.455 0.3 . 1 . . . . . 167 THR CG2 . 50751 1 1468 . 1 . 1 153 153 THR N N 15 112.001 0.3 . 1 . . . . . 167 THR N . 50751 1 1469 . 1 . 1 154 154 LYS H H 1 7.913 0.020 . 1 . . . . . 168 LYS H . 50751 1 1470 . 1 . 1 154 154 LYS HA H 1 4.356 0.020 . 1 . . . . . 168 LYS HA . 50751 1 1471 . 1 . 1 154 154 LYS HB2 H 1 1.869 0.020 . 1 . . . . . 168 LYS HB2 . 50751 1 1472 . 1 . 1 154 154 LYS HB3 H 1 1.869 0.020 . 1 . . . . . 168 LYS HB3 . 50751 1 1473 . 1 . 1 154 154 LYS HG2 H 1 1.568 0.020 . 1 . . . . . 168 LYS HG2 . 50751 1 1474 . 1 . 1 154 154 LYS HG3 H 1 1.568 0.020 . 1 . . . . . 168 LYS HG3 . 50751 1 1475 . 1 . 1 154 154 LYS HD2 H 1 1.741 0.020 . 1 . . . . . 168 LYS HD2 . 50751 1 1476 . 1 . 1 154 154 LYS HD3 H 1 1.741 0.020 . 1 . . . . . 168 LYS HD3 . 50751 1 1477 . 1 . 1 154 154 LYS HE2 H 1 2.996 0.020 . 2 . . . . . 168 LYS HE2 . 50751 1 1478 . 1 . 1 154 154 LYS HE3 H 1 3.052 0.020 . 2 . . . . . 168 LYS HE3 . 50751 1 1479 . 1 . 1 154 154 LYS CA C 13 56.941 0.3 . 1 . . . . . 168 LYS CA . 50751 1 1480 . 1 . 1 154 154 LYS CB C 13 32.923 0.3 . 1 . . . . . 168 LYS CB . 50751 1 1481 . 1 . 1 154 154 LYS CG C 13 24.942 0.3 . 1 . . . . . 168 LYS CG . 50751 1 1482 . 1 . 1 154 154 LYS CD C 13 29.158 0.3 . 1 . . . . . 168 LYS CD . 50751 1 1483 . 1 . 1 154 154 LYS CE C 13 41.988 0.3 . 1 . . . . . 168 LYS CE . 50751 1 1484 . 1 . 1 154 154 LYS N N 15 121.637 0.3 . 1 . . . . . 168 LYS N . 50751 1 1485 . 1 . 1 155 155 ASN H H 1 8.218 0.020 . 1 . . . . . 169 ASN H . 50751 1 1486 . 1 . 1 155 155 ASN HA H 1 4.593 0.020 . 1 . . . . . 169 ASN HA . 50751 1 1487 . 1 . 1 155 155 ASN HB2 H 1 2.966 0.020 . 2 . . . . . 169 ASN HB2 . 50751 1 1488 . 1 . 1 155 155 ASN HB3 H 1 2.798 0.020 . 2 . . . . . 169 ASN HB3 . 50751 1 1489 . 1 . 1 155 155 ASN CA C 13 53.375 0.3 . 1 . . . . . 169 ASN CA . 50751 1 1490 . 1 . 1 155 155 ASN CB C 13 38.614 0.3 . 1 . . . . . 169 ASN CB . 50751 1 1491 . 1 . 1 155 155 ASN N N 15 118.803 0.3 . 1 . . . . . 169 ASN N . 50751 1 1492 . 1 . 1 157 157 LYS H H 1 7.954 0.020 . 1 . . . . . 171 LYS H . 50751 1 1493 . 1 . 1 157 157 LYS HA H 1 4.193 0.020 . 1 . . . . . 171 LYS HA . 50751 1 1494 . 1 . 1 157 157 LYS HB2 H 1 1.763 0.020 . 1 . . . . . 171 LYS HB2 . 50751 1 1495 . 1 . 1 157 157 LYS HB3 H 1 1.763 0.020 . 1 . . . . . 171 LYS HB3 . 50751 1 1496 . 1 . 1 157 157 LYS HG2 H 1 1.451 0.020 . 1 . . . . . 171 LYS HG2 . 50751 1 1497 . 1 . 1 157 157 LYS HG3 H 1 1.451 0.020 . 1 . . . . . 171 LYS HG3 . 50751 1 1498 . 1 . 1 157 157 LYS HD2 H 1 1.570 0.020 . 1 . . . . . 171 LYS HD2 . 50751 1 1499 . 1 . 1 157 157 LYS HD3 H 1 1.570 0.020 . 1 . . . . . 171 LYS HD3 . 50751 1 1500 . 1 . 1 157 157 LYS HE2 H 1 2.955 0.020 . 1 . . . . . 171 LYS HE2 . 50751 1 1501 . 1 . 1 157 157 LYS HE3 H 1 2.955 0.020 . 1 . . . . . 171 LYS HE3 . 50751 1 1502 . 1 . 1 157 157 LYS CA C 13 57.946 0.3 . 1 . . . . . 171 LYS CA . 50751 1 1503 . 1 . 1 157 157 LYS CB C 13 33.503 0.3 . 1 . . . . . 171 LYS CB . 50751 1 1504 . 1 . 1 157 157 LYS CG C 13 24.759 0.3 . 1 . . . . . 171 LYS CG . 50751 1 1505 . 1 . 1 157 157 LYS CD C 13 28.975 0.3 . 1 . . . . . 171 LYS CD . 50751 1 1506 . 1 . 1 157 157 LYS CE C 13 42.263 0.3 . 1 . . . . . 171 LYS CE . 50751 1 1507 . 1 . 1 157 157 LYS N N 15 127.602 0.3 . 1 . . . . . 171 LYS N . 50751 1 stop_ save_