data_51662 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51662 _Entry.Title ; 1H, 13C and 15N NMR chemical shift assignments of LytM N-terminal domain (residues 26-184) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-10-14 _Entry.Accession_date 2022-10-14 _Entry.Last_release_date 2022-10-14 _Entry.Original_release_date 2022-10-14 _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 1 _Entry.Generated_software_label $software_1 _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 Ilona Pitkanen . . . 0000-0003-4693-0708 51662 2 Helena Tossavainen . . . 0000-0002-1609-1651 51662 3 Perttu Permi . . . 0000-0002-6281-1138 51662 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51662 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 546 51662 '15N chemical shifts' 166 51662 '1H chemical shifts' 629 51662 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-12-01 . original BMRB . 51662 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51662 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37742292 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N NMR chemical shift assignment of LytM N-terminal domain (residues 26-184) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 17 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 257 _Citation.Page_last 263 _Citation.Year 2023 _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 Ilona Pitkanen . . . . 51662 1 2 Helena Tossavainen . . . . 51662 1 3 Perttu Permi . . . . 51662 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51662 _Assembly.ID 1 _Assembly.Name 'LytM N-term' _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 17406 _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 'N-terminal domain of LytM (26-184)' 1 $entity_1 . . yes native no no . . . 51662 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51662 _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 ; GAETTNTQQAHTQMSTQSQD VSYGTYYTIDSNGDYHHTPD GNWNQAMFDNKEYSYTFVDA QGHTHYFYNCYPKNANANGS GQTYVNPATAGDNNDYTASQ SQQHINQYGYQSNVGPDASY YSHSNNNQAYNSHDGNGKVN YPNGTSNQNGGSASKATASG ; _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 160 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17406 _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 25 GLY . 51662 1 2 26 ALA . 51662 1 3 27 GLU . 51662 1 4 28 THR . 51662 1 5 29 THR . 51662 1 6 30 ASN . 51662 1 7 31 THR . 51662 1 8 32 GLN . 51662 1 9 33 GLN . 51662 1 10 34 ALA . 51662 1 11 35 HIS . 51662 1 12 36 THR . 51662 1 13 37 GLN . 51662 1 14 38 MET . 51662 1 15 39 SER . 51662 1 16 40 THR . 51662 1 17 41 GLN . 51662 1 18 42 SER . 51662 1 19 43 GLN . 51662 1 20 44 ASP . 51662 1 21 45 VAL . 51662 1 22 46 SER . 51662 1 23 47 TYR . 51662 1 24 48 GLY . 51662 1 25 49 THR . 51662 1 26 50 TYR . 51662 1 27 51 TYR . 51662 1 28 52 THR . 51662 1 29 53 ILE . 51662 1 30 54 ASP . 51662 1 31 55 SER . 51662 1 32 56 ASN . 51662 1 33 57 GLY . 51662 1 34 58 ASP . 51662 1 35 59 TYR . 51662 1 36 60 HIS . 51662 1 37 61 HIS . 51662 1 38 62 THR . 51662 1 39 63 PRO . 51662 1 40 64 ASP . 51662 1 41 65 GLY . 51662 1 42 66 ASN . 51662 1 43 67 TRP . 51662 1 44 68 ASN . 51662 1 45 69 GLN . 51662 1 46 70 ALA . 51662 1 47 71 MET . 51662 1 48 72 PHE . 51662 1 49 73 ASP . 51662 1 50 74 ASN . 51662 1 51 75 LYS . 51662 1 52 76 GLU . 51662 1 53 77 TYR . 51662 1 54 78 SER . 51662 1 55 79 TYR . 51662 1 56 80 THR . 51662 1 57 81 PHE . 51662 1 58 82 VAL . 51662 1 59 83 ASP . 51662 1 60 84 ALA . 51662 1 61 85 GLN . 51662 1 62 86 GLY . 51662 1 63 87 HIS . 51662 1 64 88 THR . 51662 1 65 89 HIS . 51662 1 66 90 TYR . 51662 1 67 91 PHE . 51662 1 68 92 TYR . 51662 1 69 93 ASN . 51662 1 70 94 CYS . 51662 1 71 95 TYR . 51662 1 72 96 PRO . 51662 1 73 97 LYS . 51662 1 74 98 ASN . 51662 1 75 99 ALA . 51662 1 76 100 ASN . 51662 1 77 101 ALA . 51662 1 78 102 ASN . 51662 1 79 103 GLY . 51662 1 80 104 SER . 51662 1 81 105 GLY . 51662 1 82 106 GLN . 51662 1 83 107 THR . 51662 1 84 108 TYR . 51662 1 85 109 VAL . 51662 1 86 110 ASN . 51662 1 87 111 PRO . 51662 1 88 112 ALA . 51662 1 89 113 THR . 51662 1 90 114 ALA . 51662 1 91 115 GLY . 51662 1 92 116 ASP . 51662 1 93 117 ASN . 51662 1 94 118 ASN . 51662 1 95 119 ASP . 51662 1 96 120 TYR . 51662 1 97 121 THR . 51662 1 98 122 ALA . 51662 1 99 123 SER . 51662 1 100 124 GLN . 51662 1 101 125 SER . 51662 1 102 126 GLN . 51662 1 103 127 GLN . 51662 1 104 128 HIS . 51662 1 105 129 ILE . 51662 1 106 130 ASN . 51662 1 107 131 GLN . 51662 1 108 132 TYR . 51662 1 109 133 GLY . 51662 1 110 134 TYR . 51662 1 111 135 GLN . 51662 1 112 136 SER . 51662 1 113 137 ASN . 51662 1 114 138 VAL . 51662 1 115 139 GLY . 51662 1 116 140 PRO . 51662 1 117 141 ASP . 51662 1 118 142 ALA . 51662 1 119 143 SER . 51662 1 120 144 TYR . 51662 1 121 145 TYR . 51662 1 122 146 SER . 51662 1 123 147 HIS . 51662 1 124 148 SER . 51662 1 125 149 ASN . 51662 1 126 150 ASN . 51662 1 127 151 ASN . 51662 1 128 152 GLN . 51662 1 129 153 ALA . 51662 1 130 154 TYR . 51662 1 131 155 ASN . 51662 1 132 156 SER . 51662 1 133 157 HIS . 51662 1 134 158 ASP . 51662 1 135 159 GLY . 51662 1 136 160 ASN . 51662 1 137 161 GLY . 51662 1 138 162 LYS . 51662 1 139 163 VAL . 51662 1 140 164 ASN . 51662 1 141 165 TYR . 51662 1 142 166 PRO . 51662 1 143 167 ASN . 51662 1 144 168 GLY . 51662 1 145 169 THR . 51662 1 146 170 SER . 51662 1 147 171 ASN . 51662 1 148 172 GLN . 51662 1 149 173 ASN . 51662 1 150 174 GLY . 51662 1 151 175 GLY . 51662 1 152 176 SER . 51662 1 153 177 ALA . 51662 1 154 178 SER . 51662 1 155 179 LYS . 51662 1 156 180 ALA . 51662 1 157 181 THR . 51662 1 158 182 ALA . 51662 1 159 183 SER . 51662 1 160 184 GLY . 51662 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51662 1 . ALA 2 2 51662 1 . GLU 3 3 51662 1 . THR 4 4 51662 1 . THR 5 5 51662 1 . ASN 6 6 51662 1 . THR 7 7 51662 1 . GLN 8 8 51662 1 . GLN 9 9 51662 1 . ALA 10 10 51662 1 . HIS 11 11 51662 1 . THR 12 12 51662 1 . GLN 13 13 51662 1 . MET 14 14 51662 1 . SER 15 15 51662 1 . THR 16 16 51662 1 . GLN 17 17 51662 1 . SER 18 18 51662 1 . GLN 19 19 51662 1 . ASP 20 20 51662 1 . VAL 21 21 51662 1 . SER 22 22 51662 1 . TYR 23 23 51662 1 . GLY 24 24 51662 1 . THR 25 25 51662 1 . TYR 26 26 51662 1 . TYR 27 27 51662 1 . THR 28 28 51662 1 . ILE 29 29 51662 1 . ASP 30 30 51662 1 . SER 31 31 51662 1 . ASN 32 32 51662 1 . GLY 33 33 51662 1 . ASP 34 34 51662 1 . TYR 35 35 51662 1 . HIS 36 36 51662 1 . HIS 37 37 51662 1 . THR 38 38 51662 1 . PRO 39 39 51662 1 . ASP 40 40 51662 1 . GLY 41 41 51662 1 . ASN 42 42 51662 1 . TRP 43 43 51662 1 . ASN 44 44 51662 1 . GLN 45 45 51662 1 . ALA 46 46 51662 1 . MET 47 47 51662 1 . PHE 48 48 51662 1 . ASP 49 49 51662 1 . ASN 50 50 51662 1 . LYS 51 51 51662 1 . GLU 52 52 51662 1 . TYR 53 53 51662 1 . SER 54 54 51662 1 . TYR 55 55 51662 1 . THR 56 56 51662 1 . PHE 57 57 51662 1 . VAL 58 58 51662 1 . ASP 59 59 51662 1 . ALA 60 60 51662 1 . GLN 61 61 51662 1 . GLY 62 62 51662 1 . HIS 63 63 51662 1 . THR 64 64 51662 1 . HIS 65 65 51662 1 . TYR 66 66 51662 1 . PHE 67 67 51662 1 . TYR 68 68 51662 1 . ASN 69 69 51662 1 . CYS 70 70 51662 1 . TYR 71 71 51662 1 . PRO 72 72 51662 1 . LYS 73 73 51662 1 . ASN 74 74 51662 1 . ALA 75 75 51662 1 . ASN 76 76 51662 1 . ALA 77 77 51662 1 . ASN 78 78 51662 1 . GLY 79 79 51662 1 . SER 80 80 51662 1 . GLY 81 81 51662 1 . GLN 82 82 51662 1 . THR 83 83 51662 1 . TYR 84 84 51662 1 . VAL 85 85 51662 1 . ASN 86 86 51662 1 . PRO 87 87 51662 1 . ALA 88 88 51662 1 . THR 89 89 51662 1 . ALA 90 90 51662 1 . GLY 91 91 51662 1 . ASP 92 92 51662 1 . ASN 93 93 51662 1 . ASN 94 94 51662 1 . ASP 95 95 51662 1 . TYR 96 96 51662 1 . THR 97 97 51662 1 . ALA 98 98 51662 1 . SER 99 99 51662 1 . GLN 100 100 51662 1 . SER 101 101 51662 1 . GLN 102 102 51662 1 . GLN 103 103 51662 1 . HIS 104 104 51662 1 . ILE 105 105 51662 1 . ASN 106 106 51662 1 . GLN 107 107 51662 1 . TYR 108 108 51662 1 . GLY 109 109 51662 1 . TYR 110 110 51662 1 . GLN 111 111 51662 1 . SER 112 112 51662 1 . ASN 113 113 51662 1 . VAL 114 114 51662 1 . GLY 115 115 51662 1 . PRO 116 116 51662 1 . ASP 117 117 51662 1 . ALA 118 118 51662 1 . SER 119 119 51662 1 . TYR 120 120 51662 1 . TYR 121 121 51662 1 . SER 122 122 51662 1 . HIS 123 123 51662 1 . SER 124 124 51662 1 . ASN 125 125 51662 1 . ASN 126 126 51662 1 . ASN 127 127 51662 1 . GLN 128 128 51662 1 . ALA 129 129 51662 1 . TYR 130 130 51662 1 . ASN 131 131 51662 1 . SER 132 132 51662 1 . HIS 133 133 51662 1 . ASP 134 134 51662 1 . GLY 135 135 51662 1 . ASN 136 136 51662 1 . GLY 137 137 51662 1 . LYS 138 138 51662 1 . VAL 139 139 51662 1 . ASN 140 140 51662 1 . TYR 141 141 51662 1 . PRO 142 142 51662 1 . ASN 143 143 51662 1 . GLY 144 144 51662 1 . THR 145 145 51662 1 . SER 146 146 51662 1 . ASN 147 147 51662 1 . GLN 148 148 51662 1 . ASN 149 149 51662 1 . GLY 150 150 51662 1 . GLY 151 151 51662 1 . SER 152 152 51662 1 . ALA 153 153 51662 1 . SER 154 154 51662 1 . LYS 155 155 51662 1 . ALA 156 156 51662 1 . THR 157 157 51662 1 . ALA 158 158 51662 1 . SER 159 159 51662 1 . GLY 160 160 51662 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 51662 _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 . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . 51662 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 51662 _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 BL21(DE3) . . plasmid . . pET-15b . . . 51662 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51662 _Sample.ID 1 _Sample.Name 'LytM (26-107)' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'LytM (26-107)' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 51662 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51662 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51662 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51662 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51662 _Sample.ID 2 _Sample.Name 'LytM (26-184)' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'LytM (26-184)' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.2 . . mM . . . . 51662 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51662 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51662 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51662 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51662 _Sample_condition_list.ID 1 _Sample_condition_list.Name '20 mM sodium phosphate, 50 mM NaCl, 1 mM DTT, pH 6.5' _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' 70 . mM 51662 1 pH 6.5 . pH 51662 1 pressure 1 . atm 51662 1 temperature 308 . K 51662 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51662 _Software.ID 1 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51662 1 'peak picking' . 51662 1 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 51662 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 51662 _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-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 5 '3D i(HCA)CO(CA)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 7 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 8 '3D H(CC)(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 9 '3D (H)CC(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 11 '3D HC(C)H-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 12 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 13 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 15 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 16 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 17 '3D i(HCA)CO(CA)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 18 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 19 '3D HN(CO)CACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 20 '3D HA(CA)CON' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 21 '3D HA(CA)CONi/i+1' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 22 '4D HACANCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 1 23 '4D HACACON' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51662 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 51662 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical shift reference set' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51662 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51662 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51662 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 51662 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assigned chemical shifts' _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-15N HSQC' . . . 51662 1 2 '2D 1H-13C HSQC aliphatic' . . . 51662 1 3 '2D 1H-13C HSQC aromatic' . . . 51662 1 4 '3D HNCO' . . . 51662 1 5 '3D i(HCA)CO(CA)NH' . . . 51662 1 6 '3D HNCACB' . . . 51662 1 7 '3D HN(CO)CACB' . . . 51662 1 8 '3D H(CC)(CO)NH' . . . 51662 1 9 '3D (H)CC(CO)NH' . . . 51662 1 10 '3D HBHA(CO)NH' . . . 51662 1 11 '3D HC(C)H-COSY' . . . 51662 1 12 '2D (HB)CB(CGCD)HD' . . . 51662 1 13 '2D (HB)CB(CGCDCE)HE' . . . 51662 1 14 '2D 1H-15N HSQC' . . . 51662 1 15 '2D 1H-13C HSQC aliphatic' . . . 51662 1 16 '3D HNCO' . . . 51662 1 17 '3D i(HCA)CO(CA)NH' . . . 51662 1 18 '3D HNCACB' . . . 51662 1 19 '3D HN(CO)CACB' . . . 51662 1 20 '3D HA(CA)CON' . . . 51662 1 21 '3D HA(CA)CONi/i+1' . . . 51662 1 22 '4D HACANCO' . . . 51662 1 23 '4D HACACON' . . . 51662 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 . . 51662 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 1 1 GLY HA2 H 1 3.840 0.02 . 2 . . . . . 25 GLY HA2 . 51662 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.815 0.02 . 2 . . . . . 25 GLY HA3 . 51662 1 3 . 1 . 1 1 1 GLY CA C 13 43.632 0.2 . 1 . . . . . 25 GLY CA . 51662 1 4 . 1 . 1 2 2 ALA HA H 1 4.339 0.02 . 1 . . . . . 26 ALA HA . 51662 1 5 . 1 . 1 2 2 ALA HB1 H 1 1.375 0.02 . 1 . . . . . 26 ALA HB1 . 51662 1 6 . 1 . 1 2 2 ALA HB2 H 1 1.375 0.02 . 1 . . . . . 26 ALA HB2 . 51662 1 7 . 1 . 1 2 2 ALA HB3 H 1 1.375 0.02 . 1 . . . . . 26 ALA HB3 . 51662 1 8 . 1 . 1 2 2 ALA C C 13 177.669 0.2 . 1 . . . . . 26 ALA C . 51662 1 9 . 1 . 1 2 2 ALA CA C 13 52.747 0.2 . 1 . . . . . 26 ALA CA . 51662 1 10 . 1 . 1 2 2 ALA CB C 13 19.208 0.2 . 1 . . . . . 26 ALA CB . 51662 1 11 . 1 . 1 3 3 GLU H H 1 8.658 0.02 . 1 . . . . . 27 GLU H . 51662 1 12 . 1 . 1 3 3 GLU HA H 1 4.335 0.02 . 1 . . . . . 27 GLU HA . 51662 1 13 . 1 . 1 3 3 GLU HB2 H 1 1.960 0.02 . 2 . . . . . 27 GLU HB2 . 51662 1 14 . 1 . 1 3 3 GLU HB3 H 1 2.067 0.02 . 2 . . . . . 27 GLU HB3 . 51662 1 15 . 1 . 1 3 3 GLU HG2 H 1 2.291 0.02 . 2 . . . . . 27 GLU HG2 . 51662 1 16 . 1 . 1 3 3 GLU HG3 H 1 2.258 0.02 . 2 . . . . . 27 GLU HG3 . 51662 1 17 . 1 . 1 3 3 GLU C C 13 176.866 0.2 . 1 . . . . . 27 GLU C . 51662 1 18 . 1 . 1 3 3 GLU CA C 13 57.004 0.2 . 1 . . . . . 27 GLU CA . 51662 1 19 . 1 . 1 3 3 GLU CB C 13 29.823 0.2 . 1 . . . . . 27 GLU CB . 51662 1 20 . 1 . 1 3 3 GLU CG C 13 36.182 0.2 . 1 . . . . . 27 GLU CG . 51662 1 21 . 1 . 1 3 3 GLU N N 15 120.123 0.2 . 1 . . . . . 27 GLU N . 51662 1 22 . 1 . 1 4 4 THR H H 1 8.147 0.02 . 1 . . . . . 28 THR H . 51662 1 23 . 1 . 1 4 4 THR HA H 1 4.404 0.02 . 1 . . . . . 28 THR HA . 51662 1 24 . 1 . 1 4 4 THR HB H 1 4.247 0.02 . 1 . . . . . 28 THR HB . 51662 1 25 . 1 . 1 4 4 THR HG21 H 1 1.186 0.02 . 1 . . . . . 28 THR HG21 . 51662 1 26 . 1 . 1 4 4 THR HG22 H 1 1.186 0.02 . 1 . . . . . 28 THR HG22 . 51662 1 27 . 1 . 1 4 4 THR HG23 H 1 1.186 0.02 . 1 . . . . . 28 THR HG23 . 51662 1 28 . 1 . 1 4 4 THR C C 13 174.766 0.2 . 1 . . . . . 28 THR C . 51662 1 29 . 1 . 1 4 4 THR CA C 13 61.893 0.2 . 1 . . . . . 28 THR CA . 51662 1 30 . 1 . 1 4 4 THR CB C 13 69.741 0.2 . 1 . . . . . 28 THR CB . 51662 1 31 . 1 . 1 4 4 THR CG2 C 13 21.615 0.2 . 1 . . . . . 28 THR CG2 . 51662 1 32 . 1 . 1 4 4 THR N N 15 114.849 0.2 . 1 . . . . . 28 THR N . 51662 1 33 . 1 . 1 5 5 THR H H 1 8.086 0.02 . 1 . . . . . 29 THR H . 51662 1 34 . 1 . 1 5 5 THR HA H 1 4.339 0.02 . 1 . . . . . 29 THR HA . 51662 1 35 . 1 . 1 5 5 THR HB H 1 4.212 0.02 . 1 . . . . . 29 THR HB . 51662 1 36 . 1 . 1 5 5 THR HG21 H 1 1.171 0.02 . 1 . . . . . 29 THR HG21 . 51662 1 37 . 1 . 1 5 5 THR HG22 H 1 1.171 0.02 . 1 . . . . . 29 THR HG22 . 51662 1 38 . 1 . 1 5 5 THR HG23 H 1 1.171 0.02 . 1 . . . . . 29 THR HG23 . 51662 1 39 . 1 . 1 5 5 THR C C 13 174.308 0.2 . 1 . . . . . 29 THR C . 51662 1 40 . 1 . 1 5 5 THR CA C 13 62.064 0.2 . 1 . . . . . 29 THR CA . 51662 1 41 . 1 . 1 5 5 THR CB C 13 69.806 0.2 . 1 . . . . . 29 THR CB . 51662 1 42 . 1 . 1 5 5 THR CG2 C 13 21.654 0.2 . 1 . . . . . 29 THR CG2 . 51662 1 43 . 1 . 1 5 5 THR N N 15 115.991 0.2 . 1 . . . . . 29 THR N . 51662 1 44 . 1 . 1 6 6 ASN H H 1 8.430 0.02 . 1 . . . . . 30 ASN H . 51662 1 45 . 1 . 1 6 6 ASN HA H 1 4.780 0.02 . 1 . . . . . 30 ASN HA . 51662 1 46 . 1 . 1 6 6 ASN HB2 H 1 2.854 0.02 . 2 . . . . . 30 ASN HB2 . 51662 1 47 . 1 . 1 6 6 ASN HB3 H 1 2.772 0.02 . 2 . . . . . 30 ASN HB3 . 51662 1 48 . 1 . 1 6 6 ASN C C 13 175.558 0.2 . 1 . . . . . 30 ASN C . 51662 1 49 . 1 . 1 6 6 ASN CA C 13 53.424 0.2 . 1 . . . . . 30 ASN CA . 51662 1 50 . 1 . 1 6 6 ASN CB C 13 38.840 0.2 . 1 . . . . . 30 ASN CB . 51662 1 51 . 1 . 1 6 6 ASN N N 15 121.187 0.2 . 1 . . . . . 30 ASN N . 51662 1 52 . 1 . 1 7 7 THR H H 1 8.084 0.02 . 1 . . . . . 31 THR H . 51662 1 53 . 1 . 1 7 7 THR HA H 1 4.258 0.02 . 1 . . . . . 31 THR HA . 51662 1 54 . 1 . 1 7 7 THR HB H 1 4.241 0.02 . 1 . . . . . 31 THR HB . 51662 1 55 . 1 . 1 7 7 THR HG21 H 1 1.171 0.02 . 1 . . . . . 31 THR HG21 . 51662 1 56 . 1 . 1 7 7 THR HG22 H 1 1.171 0.02 . 1 . . . . . 31 THR HG22 . 51662 1 57 . 1 . 1 7 7 THR HG23 H 1 1.171 0.02 . 1 . . . . . 31 THR HG23 . 51662 1 58 . 1 . 1 7 7 THR C C 13 174.764 0.2 . 1 . . . . . 31 THR C . 51662 1 59 . 1 . 1 7 7 THR CA C 13 62.337 0.2 . 1 . . . . . 31 THR CA . 51662 1 60 . 1 . 1 7 7 THR CB C 13 69.610 0.2 . 1 . . . . . 31 THR CB . 51662 1 61 . 1 . 1 7 7 THR CG2 C 13 21.776 0.2 . 1 . . . . . 31 THR CG2 . 51662 1 62 . 1 . 1 7 7 THR N N 15 114.335 0.2 . 1 . . . . . 31 THR N . 51662 1 63 . 1 . 1 8 8 GLN H H 1 8.288 0.02 . 1 . . . . . 32 GLN H . 51662 1 64 . 1 . 1 8 8 GLN HA H 1 4.297 0.02 . 1 . . . . . 32 GLN HA . 51662 1 65 . 1 . 1 8 8 GLN HB2 H 1 1.978 0.02 . 2 . . . . . 32 GLN HB2 . 51662 1 66 . 1 . 1 8 8 GLN HB3 H 1 2.082 0.02 . 2 . . . . . 32 GLN HB3 . 51662 1 67 . 1 . 1 8 8 GLN HG2 H 1 2.340 0.02 . 1 . . . . . 32 GLN HG2 . 51662 1 68 . 1 . 1 8 8 GLN HG3 H 1 2.340 0.02 . 1 . . . . . 32 GLN HG3 . 51662 1 69 . 1 . 1 8 8 GLN C C 13 176.039 0.2 . 1 . . . . . 32 GLN C . 51662 1 70 . 1 . 1 8 8 GLN CA C 13 56.223 0.2 . 1 . . . . . 32 GLN CA . 51662 1 71 . 1 . 1 8 8 GLN CB C 13 29.309 0.2 . 1 . . . . . 32 GLN CB . 51662 1 72 . 1 . 1 8 8 GLN CG C 13 33.878 0.2 . 1 . . . . . 32 GLN CG . 51662 1 73 . 1 . 1 8 8 GLN N N 15 122.176 0.2 . 1 . . . . . 32 GLN N . 51662 1 74 . 1 . 1 9 9 GLN H H 1 8.226 0.02 . 1 . . . . . 33 GLN H . 51662 1 75 . 1 . 1 9 9 GLN HA H 1 4.263 0.02 . 1 . . . . . 33 GLN HA . 51662 1 76 . 1 . 1 9 9 GLN HB2 H 1 1.920 0.02 . 2 . . . . . 33 GLN HB2 . 51662 1 77 . 1 . 1 9 9 GLN HB3 H 1 2.040 0.02 . 2 . . . . . 33 GLN HB3 . 51662 1 78 . 1 . 1 9 9 GLN HG2 H 1 2.315 0.02 . 1 . . . . . 33 GLN HG2 . 51662 1 79 . 1 . 1 9 9 GLN HG3 H 1 2.315 0.02 . 1 . . . . . 33 GLN HG3 . 51662 1 80 . 1 . 1 9 9 GLN C C 13 175.723 0.2 . 1 . . . . . 33 GLN C . 51662 1 81 . 1 . 1 9 9 GLN CA C 13 55.956 0.2 . 1 . . . . . 33 GLN CA . 51662 1 82 . 1 . 1 9 9 GLN CB C 13 29.469 0.2 . 1 . . . . . 33 GLN CB . 51662 1 83 . 1 . 1 9 9 GLN CG C 13 33.822 0.2 . 1 . . . . . 33 GLN CG . 51662 1 84 . 1 . 1 9 9 GLN N N 15 121.124 0.2 . 1 . . . . . 33 GLN N . 51662 1 85 . 1 . 1 10 10 ALA H H 1 8.212 0.02 . 1 . . . . . 34 ALA H . 51662 1 86 . 1 . 1 10 10 ALA HA H 1 4.248 0.02 . 1 . . . . . 34 ALA HA . 51662 1 87 . 1 . 1 10 10 ALA HB1 H 1 1.313 0.02 . 1 . . . . . 34 ALA HB1 . 51662 1 88 . 1 . 1 10 10 ALA HB2 H 1 1.313 0.02 . 1 . . . . . 34 ALA HB2 . 51662 1 89 . 1 . 1 10 10 ALA HB3 H 1 1.313 0.02 . 1 . . . . . 34 ALA HB3 . 51662 1 90 . 1 . 1 10 10 ALA C C 13 177.637 0.2 . 1 . . . . . 34 ALA C . 51662 1 91 . 1 . 1 10 10 ALA CA C 13 52.766 0.2 . 1 . . . . . 34 ALA CA . 51662 1 92 . 1 . 1 10 10 ALA CB C 13 19.215 0.2 . 1 . . . . . 34 ALA CB . 51662 1 93 . 1 . 1 10 10 ALA N N 15 124.789 0.2 . 1 . . . . . 34 ALA N . 51662 1 94 . 1 . 1 11 11 HIS HA H 1 4.658 0.02 . 1 . . . . . 35 HIS HA . 51662 1 95 . 1 . 1 11 11 HIS HB2 H 1 3.142 0.02 . 2 . . . . . 35 HIS HB2 . 51662 1 96 . 1 . 1 11 11 HIS HB3 H 1 3.088 0.02 . 2 . . . . . 35 HIS HB3 . 51662 1 97 . 1 . 1 11 11 HIS HD2 H 1 7.035 0.02 . 1 . . . . . 35 HIS HD2 . 51662 1 98 . 1 . 1 11 11 HIS HE1 H 1 7.866 0.02 . 1 . . . . . 35 HIS HE1 . 51662 1 99 . 1 . 1 11 11 HIS C C 13 175.617 0.2 . 1 . . . . . 35 HIS C . 51662 1 100 . 1 . 1 11 11 HIS CA C 13 56.295 0.2 . 1 . . . . . 35 HIS CA . 51662 1 101 . 1 . 1 11 11 HIS CB C 13 30.473 0.2 . 1 . . . . . 35 HIS CB . 51662 1 102 . 1 . 1 11 11 HIS CD2 C 13 119.942 0.2 . 1 . . . . . 35 HIS CD2 . 51662 1 103 . 1 . 1 11 11 HIS CE1 C 13 138.752 0.2 . 1 . . . . . 35 HIS CE1 . 51662 1 104 . 1 . 1 11 11 HIS ND1 N 15 223.469 0.2 . 1 . . . . . 35 HIS ND1 . 51662 1 105 . 1 . 1 11 11 HIS NE2 N 15 177.333 0.2 . 1 . . . . . 35 HIS NE2 . 51662 1 106 . 1 . 1 12 12 THR H H 1 7.961 0.02 . 1 . . . . . 36 THR H . 51662 1 107 . 1 . 1 12 12 THR HA H 1 4.275 0.02 . 1 . . . . . 36 THR HA . 51662 1 108 . 1 . 1 12 12 THR HB H 1 4.163 0.02 . 1 . . . . . 36 THR HB . 51662 1 109 . 1 . 1 12 12 THR HG21 H 1 1.128 0.02 . 1 . . . . . 36 THR HG21 . 51662 1 110 . 1 . 1 12 12 THR HG22 H 1 1.128 0.02 . 1 . . . . . 36 THR HG22 . 51662 1 111 . 1 . 1 12 12 THR HG23 H 1 1.128 0.02 . 1 . . . . . 36 THR HG23 . 51662 1 112 . 1 . 1 12 12 THR C C 13 174.440 0.2 . 1 . . . . . 36 THR C . 51662 1 113 . 1 . 1 12 12 THR CA C 13 62.221 0.2 . 1 . . . . . 36 THR CA . 51662 1 114 . 1 . 1 12 12 THR CB C 13 69.837 0.2 . 1 . . . . . 36 THR CB . 51662 1 115 . 1 . 1 12 12 THR CG2 C 13 21.619 0.2 . 1 . . . . . 36 THR CG2 . 51662 1 116 . 1 . 1 12 12 THR N N 15 114.995 0.2 . 1 . . . . . 36 THR N . 51662 1 117 . 1 . 1 13 13 GLN H H 1 8.338 0.02 . 1 . . . . . 37 GLN H . 51662 1 118 . 1 . 1 13 13 GLN HA H 1 4.333 0.02 . 1 . . . . . 37 GLN HA . 51662 1 119 . 1 . 1 13 13 GLN HB2 H 1 1.960 0.02 . 2 . . . . . 37 GLN HB2 . 51662 1 120 . 1 . 1 13 13 GLN HB3 H 1 2.083 0.02 . 2 . . . . . 37 GLN HB3 . 51662 1 121 . 1 . 1 13 13 GLN HG2 H 1 2.332 0.02 . 1 . . . . . 37 GLN HG2 . 51662 1 122 . 1 . 1 13 13 GLN HG3 H 1 2.332 0.02 . 1 . . . . . 37 GLN HG3 . 51662 1 123 . 1 . 1 13 13 GLN C C 13 175.868 0.2 . 1 . . . . . 37 GLN C . 51662 1 124 . 1 . 1 13 13 GLN CA C 13 56.050 0.2 . 1 . . . . . 37 GLN CA . 51662 1 125 . 1 . 1 13 13 GLN CB C 13 29.414 0.2 . 1 . . . . . 37 GLN CB . 51662 1 126 . 1 . 1 13 13 GLN CG C 13 33.802 0.2 . 1 . . . . . 37 GLN CG . 51662 1 127 . 1 . 1 13 13 GLN N N 15 122.512 0.2 . 1 . . . . . 37 GLN N . 51662 1 128 . 1 . 1 14 14 MET H H 1 8.307 0.02 . 1 . . . . . 38 MET H . 51662 1 129 . 1 . 1 14 14 MET HA H 1 4.466 0.02 . 1 . . . . . 38 MET HA . 51662 1 130 . 1 . 1 14 14 MET HB2 H 1 1.971 0.02 . 2 . . . . . 38 MET HB2 . 51662 1 131 . 1 . 1 14 14 MET HB3 H 1 2.064 0.02 . 2 . . . . . 38 MET HB3 . 51662 1 132 . 1 . 1 14 14 MET HG2 H 1 2.552 0.02 . 2 . . . . . 38 MET HG2 . 51662 1 133 . 1 . 1 14 14 MET HG3 H 1 2.496 0.02 . 2 . . . . . 38 MET HG3 . 51662 1 134 . 1 . 1 14 14 MET HE1 H 1 2.020 0.02 . 1 . . . . . 38 MET HE1 . 51662 1 135 . 1 . 1 14 14 MET HE2 H 1 2.020 0.02 . 1 . . . . . 38 MET HE2 . 51662 1 136 . 1 . 1 14 14 MET HE3 H 1 2.020 0.02 . 1 . . . . . 38 MET HE3 . 51662 1 137 . 1 . 1 14 14 MET C C 13 176.314 0.2 . 1 . . . . . 38 MET C . 51662 1 138 . 1 . 1 14 14 MET CA C 13 55.786 0.2 . 1 . . . . . 38 MET CA . 51662 1 139 . 1 . 1 14 14 MET CB C 13 33.105 0.2 . 1 . . . . . 38 MET CB . 51662 1 140 . 1 . 1 14 14 MET CG C 13 32.041 0.2 . 1 . . . . . 38 MET CG . 51662 1 141 . 1 . 1 14 14 MET CE C 13 16.985 0.2 . 1 . . . . . 38 MET CE . 51662 1 142 . 1 . 1 14 14 MET N N 15 121.523 0.2 . 1 . . . . . 38 MET N . 51662 1 143 . 1 . 1 15 15 SER H H 1 8.296 0.02 . 1 . . . . . 39 SER H . 51662 1 144 . 1 . 1 15 15 SER HA H 1 4.508 0.02 . 1 . . . . . 39 SER HA . 51662 1 145 . 1 . 1 15 15 SER HB2 H 1 3.895 0.02 . 2 . . . . . 39 SER HB2 . 51662 1 146 . 1 . 1 15 15 SER HB3 H 1 3.845 0.02 . 2 . . . . . 39 SER HB3 . 51662 1 147 . 1 . 1 15 15 SER C C 13 174.916 0.2 . 1 . . . . . 39 SER C . 51662 1 148 . 1 . 1 15 15 SER CA C 13 58.439 0.2 . 1 . . . . . 39 SER CA . 51662 1 149 . 1 . 1 15 15 SER CB C 13 63.872 0.2 . 1 . . . . . 39 SER CB . 51662 1 150 . 1 . 1 15 15 SER N N 15 116.906 0.2 . 1 . . . . . 39 SER N . 51662 1 151 . 1 . 1 16 16 THR H H 1 8.120 0.02 . 1 . . . . . 40 THR H . 51662 1 152 . 1 . 1 16 16 THR HA H 1 4.260 0.02 . 1 . . . . . 40 THR HA . 51662 1 153 . 1 . 1 16 16 THR HB H 1 4.256 0.02 . 1 . . . . . 40 THR HB . 51662 1 154 . 1 . 1 16 16 THR HG21 H 1 1.173 0.02 . 1 . . . . . 40 THR HG21 . 51662 1 155 . 1 . 1 16 16 THR HG22 H 1 1.173 0.02 . 1 . . . . . 40 THR HG22 . 51662 1 156 . 1 . 1 16 16 THR HG23 H 1 1.173 0.02 . 1 . . . . . 40 THR HG23 . 51662 1 157 . 1 . 1 16 16 THR C C 13 174.629 0.2 . 1 . . . . . 40 THR C . 51662 1 158 . 1 . 1 16 16 THR CA C 13 62.181 0.2 . 1 . . . . . 40 THR CA . 51662 1 159 . 1 . 1 16 16 THR CB C 13 69.652 0.2 . 1 . . . . . 40 THR CB . 51662 1 160 . 1 . 1 16 16 THR CG2 C 13 21.743 0.2 . 1 . . . . . 40 THR CG2 . 51662 1 161 . 1 . 1 16 16 THR N N 15 115.445 0.2 . 1 . . . . . 40 THR N . 51662 1 162 . 1 . 1 17 17 GLN H H 1 8.260 0.02 . 1 . . . . . 41 GLN H . 51662 1 163 . 1 . 1 17 17 GLN HA H 1 4.368 0.02 . 1 . . . . . 41 GLN HA . 51662 1 164 . 1 . 1 17 17 GLN HB2 H 1 1.959 0.02 . 2 . . . . . 41 GLN HB2 . 51662 1 165 . 1 . 1 17 17 GLN HB3 H 1 2.086 0.02 . 2 . . . . . 41 GLN HB3 . 51662 1 166 . 1 . 1 17 17 GLN HG2 H 1 2.337 0.02 . 1 . . . . . 41 GLN HG2 . 51662 1 167 . 1 . 1 17 17 GLN HG3 H 1 2.337 0.02 . 1 . . . . . 41 GLN HG3 . 51662 1 168 . 1 . 1 17 17 GLN C C 13 175.969 0.2 . 1 . . . . . 41 GLN C . 51662 1 169 . 1 . 1 17 17 GLN CA C 13 56.051 0.2 . 1 . . . . . 41 GLN CA . 51662 1 170 . 1 . 1 17 17 GLN CB C 13 29.481 0.2 . 1 . . . . . 41 GLN CB . 51662 1 171 . 1 . 1 17 17 GLN CG C 13 33.828 0.2 . 1 . . . . . 41 GLN CG . 51662 1 172 . 1 . 1 17 17 GLN N N 15 122.194 0.2 . 1 . . . . . 41 GLN N . 51662 1 173 . 1 . 1 18 18 SER H H 1 8.242 0.02 . 1 . . . . . 42 SER H . 51662 1 174 . 1 . 1 18 18 SER HA H 1 4.391 0.02 . 1 . . . . . 42 SER HA . 51662 1 175 . 1 . 1 18 18 SER HB2 H 1 3.799 0.02 . 2 . . . . . 42 SER HB2 . 51662 1 176 . 1 . 1 18 18 SER HB3 H 1 3.820 0.02 . 2 . . . . . 42 SER HB3 . 51662 1 177 . 1 . 1 18 18 SER C C 13 174.377 0.2 . 1 . . . . . 42 SER C . 51662 1 178 . 1 . 1 18 18 SER CA C 13 58.466 0.2 . 1 . . . . . 42 SER CA . 51662 1 179 . 1 . 1 18 18 SER CB C 13 63.862 0.2 . 1 . . . . . 42 SER CB . 51662 1 180 . 1 . 1 18 18 SER N N 15 116.963 0.2 . 1 . . . . . 42 SER N . 51662 1 181 . 1 . 1 19 19 GLN H H 1 8.290 0.02 . 1 . . . . . 43 GLN H . 51662 1 182 . 1 . 1 19 19 GLN HA H 1 4.290 0.02 . 1 . . . . . 43 GLN HA . 51662 1 183 . 1 . 1 19 19 GLN HB2 H 1 1.918 0.02 . 2 . . . . . 43 GLN HB2 . 51662 1 184 . 1 . 1 19 19 GLN HB3 H 1 2.047 0.02 . 2 . . . . . 43 GLN HB3 . 51662 1 185 . 1 . 1 19 19 GLN HG2 H 1 2.261 0.02 . 1 . . . . . 43 GLN HG2 . 51662 1 186 . 1 . 1 19 19 GLN HG3 H 1 2.261 0.02 . 1 . . . . . 43 GLN HG3 . 51662 1 187 . 1 . 1 19 19 GLN C C 13 175.395 0.2 . 1 . . . . . 43 GLN C . 51662 1 188 . 1 . 1 19 19 GLN CA C 13 55.855 0.2 . 1 . . . . . 43 GLN CA . 51662 1 189 . 1 . 1 19 19 GLN CB C 13 29.593 0.2 . 1 . . . . . 43 GLN CB . 51662 1 190 . 1 . 1 19 19 GLN CG C 13 33.848 0.2 . 1 . . . . . 43 GLN CG . 51662 1 191 . 1 . 1 19 19 GLN N N 15 121.840 0.2 . 1 . . . . . 43 GLN N . 51662 1 192 . 1 . 1 20 20 ASP H H 1 8.208 0.02 . 1 . . . . . 44 ASP H . 51662 1 193 . 1 . 1 20 20 ASP HA H 1 4.600 0.02 . 1 . . . . . 44 ASP HA . 51662 1 194 . 1 . 1 20 20 ASP HB2 H 1 2.589 0.02 . 1 . . . . . 44 ASP HB2 . 51662 1 195 . 1 . 1 20 20 ASP HB3 H 1 2.589 0.02 . 1 . . . . . 44 ASP HB3 . 51662 1 196 . 1 . 1 20 20 ASP C C 13 176.337 0.2 . 1 . . . . . 44 ASP C . 51662 1 197 . 1 . 1 20 20 ASP CA C 13 54.229 0.2 . 1 . . . . . 44 ASP CA . 51662 1 198 . 1 . 1 20 20 ASP CB C 13 41.245 0.2 . 1 . . . . . 44 ASP CB . 51662 1 199 . 1 . 1 20 20 ASP N N 15 122.119 0.2 . 1 . . . . . 44 ASP N . 51662 1 200 . 1 . 1 21 21 VAL H H 1 7.890 0.02 . 1 . . . . . 45 VAL H . 51662 1 201 . 1 . 1 21 21 VAL HA H 1 4.084 0.02 . 1 . . . . . 45 VAL HA . 51662 1 202 . 1 . 1 21 21 VAL HB H 1 1.923 0.02 . 1 . . . . . 45 VAL HB . 51662 1 203 . 1 . 1 21 21 VAL HG11 H 1 0.762 0.02 . 2 . . . . . 45 VAL HG11 . 51662 1 204 . 1 . 1 21 21 VAL HG12 H 1 0.762 0.02 . 2 . . . . . 45 VAL HG12 . 51662 1 205 . 1 . 1 21 21 VAL HG13 H 1 0.762 0.02 . 2 . . . . . 45 VAL HG13 . 51662 1 206 . 1 . 1 21 21 VAL HG21 H 1 0.678 0.02 . 2 . . . . . 45 VAL HG21 . 51662 1 207 . 1 . 1 21 21 VAL HG22 H 1 0.678 0.02 . 2 . . . . . 45 VAL HG22 . 51662 1 208 . 1 . 1 21 21 VAL HG23 H 1 0.678 0.02 . 2 . . . . . 45 VAL HG23 . 51662 1 209 . 1 . 1 21 21 VAL C C 13 174.887 0.2 . 1 . . . . . 45 VAL C . 51662 1 210 . 1 . 1 21 21 VAL CA C 13 61.668 0.2 . 1 . . . . . 45 VAL CA . 51662 1 211 . 1 . 1 21 21 VAL CB C 13 32.386 0.2 . 1 . . . . . 45 VAL CB . 51662 1 212 . 1 . 1 21 21 VAL CG1 C 13 21.087 0.2 . 2 . . . . . 45 VAL CG1 . 51662 1 213 . 1 . 1 21 21 VAL CG2 C 13 21.143 0.2 . 2 . . . . . 45 VAL CG2 . 51662 1 214 . 1 . 1 21 21 VAL N N 15 118.791 0.2 . 1 . . . . . 45 VAL N . 51662 1 215 . 1 . 1 22 22 SER H H 1 8.198 0.02 . 1 . . . . . 46 SER H . 51662 1 216 . 1 . 1 22 22 SER HA H 1 4.116 0.02 . 1 . . . . . 46 SER HA . 51662 1 217 . 1 . 1 22 22 SER HB2 H 1 3.903 0.02 . 1 . . . . . 46 SER HB2 . 51662 1 218 . 1 . 1 22 22 SER HB3 H 1 3.903 0.02 . 1 . . . . . 46 SER HB3 . 51662 1 219 . 1 . 1 22 22 SER CA C 13 59.895 0.2 . 1 . . . . . 46 SER CA . 51662 1 220 . 1 . 1 22 22 SER CB C 13 64.531 0.2 . 1 . . . . . 46 SER CB . 51662 1 221 . 1 . 1 22 22 SER N N 15 115.340 0.2 . 1 . . . . . 46 SER N . 51662 1 222 . 1 . 1 23 23 TYR H H 1 8.117 0.02 . 1 . . . . . 47 TYR H . 51662 1 223 . 1 . 1 23 23 TYR HA H 1 4.023 0.02 . 1 . . . . . 47 TYR HA . 51662 1 224 . 1 . 1 23 23 TYR HB2 H 1 2.957 0.02 . 2 . . . . . 47 TYR HB2 . 51662 1 225 . 1 . 1 23 23 TYR HB3 H 1 3.226 0.02 . 2 . . . . . 47 TYR HB3 . 51662 1 226 . 1 . 1 23 23 TYR HD1 H 1 6.892 0.02 . 1 . . . . . 47 TYR HD1 . 51662 1 227 . 1 . 1 23 23 TYR HD2 H 1 6.892 0.02 . 1 . . . . . 47 TYR HD2 . 51662 1 228 . 1 . 1 23 23 TYR HE1 H 1 6.270 0.02 . 1 . . . . . 47 TYR HE1 . 51662 1 229 . 1 . 1 23 23 TYR HE2 H 1 6.270 0.02 . 1 . . . . . 47 TYR HE2 . 51662 1 230 . 1 . 1 23 23 TYR C C 13 175.961 0.2 . 1 . . . . . 47 TYR C . 51662 1 231 . 1 . 1 23 23 TYR CA C 13 60.080 0.2 . 1 . . . . . 47 TYR CA . 51662 1 232 . 1 . 1 23 23 TYR CB C 13 36.788 0.2 . 1 . . . . . 47 TYR CB . 51662 1 233 . 1 . 1 23 23 TYR CD1 C 13 133.408 0.2 . 1 . . . . . 47 TYR CD1 . 51662 1 234 . 1 . 1 23 23 TYR CD2 C 13 133.408 0.2 . 1 . . . . . 47 TYR CD2 . 51662 1 235 . 1 . 1 23 23 TYR CE1 C 13 118.014 0.2 . 1 . . . . . 47 TYR CE1 . 51662 1 236 . 1 . 1 23 23 TYR CE2 C 13 118.014 0.2 . 1 . . . . . 47 TYR CE2 . 51662 1 237 . 1 . 1 23 23 TYR N N 15 118.224 0.2 . 1 . . . . . 47 TYR N . 51662 1 238 . 1 . 1 24 24 GLY H H 1 8.353 0.02 . 1 . . . . . 48 GLY H . 51662 1 239 . 1 . 1 24 24 GLY HA2 H 1 3.795 0.02 . 2 . . . . . 48 GLY HA2 . 51662 1 240 . 1 . 1 24 24 GLY HA3 H 1 4.128 0.02 . 2 . . . . . 48 GLY HA3 . 51662 1 241 . 1 . 1 24 24 GLY C C 13 174.567 0.2 . 1 . . . . . 48 GLY C . 51662 1 242 . 1 . 1 24 24 GLY CA C 13 45.972 0.2 . 1 . . . . . 48 GLY CA . 51662 1 243 . 1 . 1 24 24 GLY N N 15 103.559 0.2 . 1 . . . . . 48 GLY N . 51662 1 244 . 1 . 1 25 25 THR H H 1 7.913 0.02 . 1 . . . . . 49 THR H . 51662 1 245 . 1 . 1 25 25 THR HA H 1 5.104 0.02 . 1 . . . . . 49 THR HA . 51662 1 246 . 1 . 1 25 25 THR HB H 1 4.915 0.02 . 1 . . . . . 49 THR HB . 51662 1 247 . 1 . 1 25 25 THR HG21 H 1 1.316 0.02 . 1 . . . . . 49 THR HG21 . 51662 1 248 . 1 . 1 25 25 THR HG22 H 1 1.316 0.02 . 1 . . . . . 49 THR HG22 . 51662 1 249 . 1 . 1 25 25 THR HG23 H 1 1.316 0.02 . 1 . . . . . 49 THR HG23 . 51662 1 250 . 1 . 1 25 25 THR C C 13 175.006 0.2 . 1 . . . . . 49 THR C . 51662 1 251 . 1 . 1 25 25 THR CA C 13 60.482 0.2 . 1 . . . . . 49 THR CA . 51662 1 252 . 1 . 1 25 25 THR CB C 13 71.748 0.2 . 1 . . . . . 49 THR CB . 51662 1 253 . 1 . 1 25 25 THR CG2 C 13 20.883 0.2 . 1 . . . . . 49 THR CG2 . 51662 1 254 . 1 . 1 25 25 THR N N 15 111.869 0.2 . 1 . . . . . 49 THR N . 51662 1 255 . 1 . 1 26 26 TYR H H 1 7.964 0.02 . 1 . . . . . 50 TYR H . 51662 1 256 . 1 . 1 26 26 TYR HA H 1 4.831 0.02 . 1 . . . . . 50 TYR HA . 51662 1 257 . 1 . 1 26 26 TYR HB2 H 1 2.915 0.02 . 2 . . . . . 50 TYR HB2 . 51662 1 258 . 1 . 1 26 26 TYR HB3 H 1 2.998 0.02 . 2 . . . . . 50 TYR HB3 . 51662 1 259 . 1 . 1 26 26 TYR HD1 H 1 7.049 0.02 . 1 . . . . . 50 TYR HD1 . 51662 1 260 . 1 . 1 26 26 TYR HD2 H 1 7.049 0.02 . 1 . . . . . 50 TYR HD2 . 51662 1 261 . 1 . 1 26 26 TYR HE1 H 1 6.808 0.02 . 1 . . . . . 50 TYR HE1 . 51662 1 262 . 1 . 1 26 26 TYR HE2 H 1 6.808 0.02 . 1 . . . . . 50 TYR HE2 . 51662 1 263 . 1 . 1 26 26 TYR C C 13 177.405 0.2 . 1 . . . . . 50 TYR C . 51662 1 264 . 1 . 1 26 26 TYR CA C 13 58.997 0.2 . 1 . . . . . 50 TYR CA . 51662 1 265 . 1 . 1 26 26 TYR CB C 13 39.243 0.2 . 1 . . . . . 50 TYR CB . 51662 1 266 . 1 . 1 26 26 TYR CD1 C 13 133.212 0.2 . 1 . . . . . 50 TYR CD1 . 51662 1 267 . 1 . 1 26 26 TYR CD2 C 13 133.212 0.2 . 1 . . . . . 50 TYR CD2 . 51662 1 268 . 1 . 1 26 26 TYR CE1 C 13 118.063 0.2 . 1 . . . . . 50 TYR CE1 . 51662 1 269 . 1 . 1 26 26 TYR CE2 C 13 118.063 0.2 . 1 . . . . . 50 TYR CE2 . 51662 1 270 . 1 . 1 26 26 TYR N N 15 117.400 0.2 . 1 . . . . . 50 TYR N . 51662 1 271 . 1 . 1 27 27 TYR H H 1 8.592 0.02 . 1 . . . . . 51 TYR H . 51662 1 272 . 1 . 1 27 27 TYR HA H 1 5.525 0.02 . 1 . . . . . 51 TYR HA . 51662 1 273 . 1 . 1 27 27 TYR HB2 H 1 1.897 0.02 . 2 . . . . . 51 TYR HB2 . 51662 1 274 . 1 . 1 27 27 TYR HB3 H 1 2.206 0.02 . 2 . . . . . 51 TYR HB3 . 51662 1 275 . 1 . 1 27 27 TYR HD1 H 1 6.635 0.02 . 1 . . . . . 51 TYR HD1 . 51662 1 276 . 1 . 1 27 27 TYR HD2 H 1 6.635 0.02 . 1 . . . . . 51 TYR HD2 . 51662 1 277 . 1 . 1 27 27 TYR HE1 H 1 6.672 0.02 . 1 . . . . . 51 TYR HE1 . 51662 1 278 . 1 . 1 27 27 TYR HE2 H 1 6.672 0.02 . 1 . . . . . 51 TYR HE2 . 51662 1 279 . 1 . 1 27 27 TYR C C 13 173.027 0.2 . 1 . . . . . 51 TYR C . 51662 1 280 . 1 . 1 27 27 TYR CA C 13 57.057 0.2 . 1 . . . . . 51 TYR CA . 51662 1 281 . 1 . 1 27 27 TYR CB C 13 40.054 0.2 . 1 . . . . . 51 TYR CB . 51662 1 282 . 1 . 1 27 27 TYR CD1 C 13 133.673 0.2 . 1 . . . . . 51 TYR CD1 . 51662 1 283 . 1 . 1 27 27 TYR CD2 C 13 133.673 0.2 . 1 . . . . . 51 TYR CD2 . 51662 1 284 . 1 . 1 27 27 TYR CE1 C 13 117.854 0.2 . 1 . . . . . 51 TYR CE1 . 51662 1 285 . 1 . 1 27 27 TYR CE2 C 13 117.854 0.2 . 1 . . . . . 51 TYR CE2 . 51662 1 286 . 1 . 1 27 27 TYR N N 15 117.222 0.2 . 1 . . . . . 51 TYR N . 51662 1 287 . 1 . 1 28 28 THR H H 1 7.812 0.02 . 1 . . . . . 52 THR H . 51662 1 288 . 1 . 1 28 28 THR HA H 1 4.262 0.02 . 1 . . . . . 52 THR HA . 51662 1 289 . 1 . 1 28 28 THR HB H 1 3.455 0.02 . 1 . . . . . 52 THR HB . 51662 1 290 . 1 . 1 28 28 THR HG21 H 1 0.853 0.02 . 1 . . . . . 52 THR HG21 . 51662 1 291 . 1 . 1 28 28 THR HG22 H 1 0.853 0.02 . 1 . . . . . 52 THR HG22 . 51662 1 292 . 1 . 1 28 28 THR HG23 H 1 0.853 0.02 . 1 . . . . . 52 THR HG23 . 51662 1 293 . 1 . 1 28 28 THR C C 13 171.829 0.2 . 1 . . . . . 52 THR C . 51662 1 294 . 1 . 1 28 28 THR CA C 13 60.846 0.2 . 1 . . . . . 52 THR CA . 51662 1 295 . 1 . 1 28 28 THR CB C 13 71.559 0.2 . 1 . . . . . 52 THR CB . 51662 1 296 . 1 . 1 28 28 THR CG2 C 13 21.185 0.2 . 1 . . . . . 52 THR CG2 . 51662 1 297 . 1 . 1 28 28 THR N N 15 116.022 0.2 . 1 . . . . . 52 THR N . 51662 1 298 . 1 . 1 29 29 ILE H H 1 8.212 0.02 . 1 . . . . . 53 ILE H . 51662 1 299 . 1 . 1 29 29 ILE HA H 1 4.490 0.02 . 1 . . . . . 53 ILE HA . 51662 1 300 . 1 . 1 29 29 ILE HB H 1 1.316 0.02 . 1 . . . . . 53 ILE HB . 51662 1 301 . 1 . 1 29 29 ILE HG12 H 1 1.123 0.02 . 2 . . . . . 53 ILE HG12 . 51662 1 302 . 1 . 1 29 29 ILE HG13 H 1 -0.410 0.02 . 2 . . . . . 53 ILE HG13 . 51662 1 303 . 1 . 1 29 29 ILE HG21 H 1 0.508 0.02 . 1 . . . . . 53 ILE HG21 . 51662 1 304 . 1 . 1 29 29 ILE HG22 H 1 0.508 0.02 . 1 . . . . . 53 ILE HG22 . 51662 1 305 . 1 . 1 29 29 ILE HG23 H 1 0.508 0.02 . 1 . . . . . 53 ILE HG23 . 51662 1 306 . 1 . 1 29 29 ILE HD11 H 1 0.523 0.02 . 1 . . . . . 53 ILE HD11 . 51662 1 307 . 1 . 1 29 29 ILE HD12 H 1 0.523 0.02 . 1 . . . . . 53 ILE HD12 . 51662 1 308 . 1 . 1 29 29 ILE HD13 H 1 0.523 0.02 . 1 . . . . . 53 ILE HD13 . 51662 1 309 . 1 . 1 29 29 ILE C C 13 176.541 0.2 . 1 . . . . . 53 ILE C . 51662 1 310 . 1 . 1 29 29 ILE CA C 13 60.178 0.2 . 1 . . . . . 53 ILE CA . 51662 1 311 . 1 . 1 29 29 ILE CB C 13 38.788 0.2 . 1 . . . . . 53 ILE CB . 51662 1 312 . 1 . 1 29 29 ILE CG1 C 13 27.460 0.2 . 1 . . . . . 53 ILE CG1 . 51662 1 313 . 1 . 1 29 29 ILE CG2 C 13 16.680 0.2 . 1 . . . . . 53 ILE CG2 . 51662 1 314 . 1 . 1 29 29 ILE CD1 C 13 14.040 0.2 . 1 . . . . . 53 ILE CD1 . 51662 1 315 . 1 . 1 29 29 ILE N N 15 127.691 0.2 . 1 . . . . . 53 ILE N . 51662 1 316 . 1 . 1 30 30 ASP H H 1 8.826 0.02 . 1 . . . . . 54 ASP H . 51662 1 317 . 1 . 1 30 30 ASP HA H 1 4.649 0.02 . 1 . . . . . 54 ASP HA . 51662 1 318 . 1 . 1 30 30 ASP HB2 H 1 2.261 0.02 . 2 . . . . . 54 ASP HB2 . 51662 1 319 . 1 . 1 30 30 ASP HB3 H 1 3.467 0.02 . 2 . . . . . 54 ASP HB3 . 51662 1 320 . 1 . 1 30 30 ASP C C 13 178.627 0.2 . 1 . . . . . 54 ASP C . 51662 1 321 . 1 . 1 30 30 ASP CA C 13 52.571 0.2 . 1 . . . . . 54 ASP CA . 51662 1 322 . 1 . 1 30 30 ASP CB C 13 41.910 0.2 . 1 . . . . . 54 ASP CB . 51662 1 323 . 1 . 1 30 30 ASP N N 15 127.435 0.2 . 1 . . . . . 54 ASP N . 51662 1 324 . 1 . 1 31 31 SER H H 1 8.345 0.02 . 1 . . . . . 55 SER H . 51662 1 325 . 1 . 1 31 31 SER HA H 1 4.140 0.02 . 1 . . . . . 55 SER HA . 51662 1 326 . 1 . 1 31 31 SER HB2 H 1 3.966 0.02 . 2 . . . . . 55 SER HB2 . 51662 1 327 . 1 . 1 31 31 SER HB3 H 1 3.921 0.02 . 2 . . . . . 55 SER HB3 . 51662 1 328 . 1 . 1 31 31 SER C C 13 175.065 0.2 . 1 . . . . . 55 SER C . 51662 1 329 . 1 . 1 31 31 SER CA C 13 61.106 0.2 . 1 . . . . . 55 SER CA . 51662 1 330 . 1 . 1 31 31 SER CB C 13 62.981 0.2 . 1 . . . . . 55 SER CB . 51662 1 331 . 1 . 1 31 31 SER N N 15 112.840 0.2 . 1 . . . . . 55 SER N . 51662 1 332 . 1 . 1 32 32 ASN H H 1 8.356 0.02 . 1 . . . . . 56 ASN H . 51662 1 333 . 1 . 1 32 32 ASN HA H 1 4.874 0.02 . 1 . . . . . 56 ASN HA . 51662 1 334 . 1 . 1 32 32 ASN HB2 H 1 2.958 0.02 . 1 . . . . . 56 ASN HB2 . 51662 1 335 . 1 . 1 32 32 ASN HB3 H 1 2.958 0.02 . 1 . . . . . 56 ASN HB3 . 51662 1 336 . 1 . 1 32 32 ASN HD21 H 1 8.239 0.02 . 1 . . . . . 56 ASN HD21 . 51662 1 337 . 1 . 1 32 32 ASN HD22 H 1 6.871 0.02 . 1 . . . . . 56 ASN HD22 . 51662 1 338 . 1 . 1 32 32 ASN C C 13 176.012 0.2 . 1 . . . . . 56 ASN C . 51662 1 339 . 1 . 1 32 32 ASN CA C 13 53.033 0.2 . 1 . . . . . 56 ASN CA . 51662 1 340 . 1 . 1 32 32 ASN CB C 13 39.572 0.2 . 1 . . . . . 56 ASN CB . 51662 1 341 . 1 . 1 32 32 ASN N N 15 118.593 0.2 . 1 . . . . . 56 ASN N . 51662 1 342 . 1 . 1 32 32 ASN ND2 N 15 115.843 0.2 . 1 . . . . . 56 ASN ND2 . 51662 1 343 . 1 . 1 33 33 GLY H H 1 8.089 0.02 . 1 . . . . . 57 GLY H . 51662 1 344 . 1 . 1 33 33 GLY HA2 H 1 3.212 0.02 . 2 . . . . . 57 GLY HA2 . 51662 1 345 . 1 . 1 33 33 GLY HA3 H 1 3.943 0.02 . 2 . . . . . 57 GLY HA3 . 51662 1 346 . 1 . 1 33 33 GLY C C 13 172.853 0.2 . 1 . . . . . 57 GLY C . 51662 1 347 . 1 . 1 33 33 GLY CA C 13 45.268 0.2 . 1 . . . . . 57 GLY CA . 51662 1 348 . 1 . 1 33 33 GLY N N 15 109.581 0.2 . 1 . . . . . 57 GLY N . 51662 1 349 . 1 . 1 34 34 ASP H H 1 7.912 0.02 . 1 . . . . . 58 ASP H . 51662 1 350 . 1 . 1 34 34 ASP HA H 1 4.919 0.02 . 1 . . . . . 58 ASP HA . 51662 1 351 . 1 . 1 34 34 ASP HB2 H 1 2.584 0.02 . 2 . . . . . 58 ASP HB2 . 51662 1 352 . 1 . 1 34 34 ASP HB3 H 1 2.890 0.02 . 2 . . . . . 58 ASP HB3 . 51662 1 353 . 1 . 1 34 34 ASP C C 13 173.666 0.2 . 1 . . . . . 58 ASP C . 51662 1 354 . 1 . 1 34 34 ASP CA C 13 54.320 0.2 . 1 . . . . . 58 ASP CA . 51662 1 355 . 1 . 1 34 34 ASP CB C 13 41.280 0.2 . 1 . . . . . 58 ASP CB . 51662 1 356 . 1 . 1 34 34 ASP N N 15 119.150 0.2 . 1 . . . . . 58 ASP N . 51662 1 357 . 1 . 1 35 35 TYR H H 1 8.423 0.02 . 1 . . . . . 59 TYR H . 51662 1 358 . 1 . 1 35 35 TYR HA H 1 4.451 0.02 . 1 . . . . . 59 TYR HA . 51662 1 359 . 1 . 1 35 35 TYR HB2 H 1 2.128 0.02 . 2 . . . . . 59 TYR HB2 . 51662 1 360 . 1 . 1 35 35 TYR HB3 H 1 2.072 0.02 . 2 . . . . . 59 TYR HB3 . 51662 1 361 . 1 . 1 35 35 TYR HD1 H 1 6.164 0.02 . 1 . . . . . 59 TYR HD1 . 51662 1 362 . 1 . 1 35 35 TYR HD2 H 1 6.164 0.02 . 1 . . . . . 59 TYR HD2 . 51662 1 363 . 1 . 1 35 35 TYR HE1 H 1 6.127 0.02 . 1 . . . . . 59 TYR HE1 . 51662 1 364 . 1 . 1 35 35 TYR HE2 H 1 6.127 0.02 . 1 . . . . . 59 TYR HE2 . 51662 1 365 . 1 . 1 35 35 TYR C C 13 174.983 0.2 . 1 . . . . . 59 TYR C . 51662 1 366 . 1 . 1 35 35 TYR CA C 13 56.993 0.2 . 1 . . . . . 59 TYR CA . 51662 1 367 . 1 . 1 35 35 TYR CB C 13 42.962 0.2 . 1 . . . . . 59 TYR CB . 51662 1 368 . 1 . 1 35 35 TYR CD1 C 13 132.285 0.2 . 1 . . . . . 59 TYR CD1 . 51662 1 369 . 1 . 1 35 35 TYR CD2 C 13 132.285 0.2 . 1 . . . . . 59 TYR CD2 . 51662 1 370 . 1 . 1 35 35 TYR CE1 C 13 118.127 0.2 . 1 . . . . . 59 TYR CE1 . 51662 1 371 . 1 . 1 35 35 TYR CE2 C 13 118.127 0.2 . 1 . . . . . 59 TYR CE2 . 51662 1 372 . 1 . 1 35 35 TYR N N 15 117.584 0.2 . 1 . . . . . 59 TYR N . 51662 1 373 . 1 . 1 36 36 HIS H H 1 8.539 0.02 . 1 . . . . . 60 HIS H . 51662 1 374 . 1 . 1 36 36 HIS HA H 1 4.951 0.02 . 1 . . . . . 60 HIS HA . 51662 1 375 . 1 . 1 36 36 HIS HB2 H 1 1.353 0.02 . 2 . . . . . 60 HIS HB2 . 51662 1 376 . 1 . 1 36 36 HIS HB3 H 1 1.721 0.02 . 2 . . . . . 60 HIS HB3 . 51662 1 377 . 1 . 1 36 36 HIS HD2 H 1 5.778 0.02 . 1 . . . . . 60 HIS HD2 . 51662 1 378 . 1 . 1 36 36 HIS HE1 H 1 5.916 0.02 . 1 . . . . . 60 HIS HE1 . 51662 1 379 . 1 . 1 36 36 HIS HE2 H 1 11.963 0.02 . 1 . . . . . 60 HIS HE2 . 51662 1 380 . 1 . 1 36 36 HIS C C 13 175.945 0.2 . 1 . . . . . 60 HIS C . 51662 1 381 . 1 . 1 36 36 HIS CA C 13 55.557 0.2 . 1 . . . . . 60 HIS CA . 51662 1 382 . 1 . 1 36 36 HIS CB C 13 30.019 0.2 . 1 . . . . . 60 HIS CB . 51662 1 383 . 1 . 1 36 36 HIS CD2 C 13 117.280 0.2 . 1 . . . . . 60 HIS CD2 . 51662 1 384 . 1 . 1 36 36 HIS CE1 C 13 137.401 0.2 . 1 . . . . . 60 HIS CE1 . 51662 1 385 . 1 . 1 36 36 HIS N N 15 121.904 0.2 . 1 . . . . . 60 HIS N . 51662 1 386 . 1 . 1 36 36 HIS ND1 N 15 242.641 0.2 . 1 . . . . . 60 HIS ND1 . 51662 1 387 . 1 . 1 36 36 HIS NE2 N 15 165.388 0.2 . 1 . . . . . 60 HIS NE2 . 51662 1 388 . 1 . 1 37 37 HIS H H 1 9.975 0.02 . 1 . . . . . 61 HIS H . 51662 1 389 . 1 . 1 37 37 HIS HA H 1 5.442 0.02 . 1 . . . . . 61 HIS HA . 51662 1 390 . 1 . 1 37 37 HIS HB2 H 1 3.257 0.02 . 2 . . . . . 61 HIS HB2 . 51662 1 391 . 1 . 1 37 37 HIS HB3 H 1 2.417 0.02 . 2 . . . . . 61 HIS HB3 . 51662 1 392 . 1 . 1 37 37 HIS HD2 H 1 5.948 0.02 . 1 . . . . . 61 HIS HD2 . 51662 1 393 . 1 . 1 37 37 HIS HE1 H 1 8.109 0.02 . 1 . . . . . 61 HIS HE1 . 51662 1 394 . 1 . 1 37 37 HIS C C 13 174.784 0.2 . 1 . . . . . 61 HIS C . 51662 1 395 . 1 . 1 37 37 HIS CA C 13 55.661 0.2 . 1 . . . . . 61 HIS CA . 51662 1 396 . 1 . 1 37 37 HIS CB C 13 30.818 0.2 . 1 . . . . . 61 HIS CB . 51662 1 397 . 1 . 1 37 37 HIS CD2 C 13 124.439 0.2 . 1 . . . . . 61 HIS CD2 . 51662 1 398 . 1 . 1 37 37 HIS CE1 C 13 137.444 0.2 . 1 . . . . . 61 HIS CE1 . 51662 1 399 . 1 . 1 37 37 HIS N N 15 127.276 0.2 . 1 . . . . . 61 HIS N . 51662 1 400 . 1 . 1 38 38 THR H H 1 8.363 0.02 . 1 . . . . . 62 THR H . 51662 1 401 . 1 . 1 38 38 THR HA H 1 5.569 0.02 . 1 . . . . . 62 THR HA . 51662 1 402 . 1 . 1 38 38 THR HB H 1 4.691 0.02 . 1 . . . . . 62 THR HB . 51662 1 403 . 1 . 1 38 38 THR HG1 H 1 5.939 0.02 . 1 . . . . . 62 THR HG1 . 51662 1 404 . 1 . 1 38 38 THR HG21 H 1 1.338 0.02 . 1 . . . . . 62 THR HG21 . 51662 1 405 . 1 . 1 38 38 THR HG22 H 1 1.338 0.02 . 1 . . . . . 62 THR HG22 . 51662 1 406 . 1 . 1 38 38 THR HG23 H 1 1.338 0.02 . 1 . . . . . 62 THR HG23 . 51662 1 407 . 1 . 1 38 38 THR C C 13 173.428 0.2 . 1 . . . . . 62 THR C . 51662 1 408 . 1 . 1 38 38 THR CA C 13 59.562 0.2 . 1 . . . . . 62 THR CA . 51662 1 409 . 1 . 1 38 38 THR CB C 13 71.616 0.2 . 1 . . . . . 62 THR CB . 51662 1 410 . 1 . 1 38 38 THR CG2 C 13 22.412 0.2 . 1 . . . . . 62 THR CG2 . 51662 1 411 . 1 . 1 38 38 THR N N 15 113.019 0.2 . 1 . . . . . 62 THR N . 51662 1 412 . 1 . 1 39 39 PRO HA H 1 4.953 0.02 . 1 . . . . . 63 PRO HA . 51662 1 413 . 1 . 1 39 39 PRO HB2 H 1 2.261 0.02 . 2 . . . . . 63 PRO HB2 . 51662 1 414 . 1 . 1 39 39 PRO HB3 H 1 2.464 0.02 . 2 . . . . . 63 PRO HB3 . 51662 1 415 . 1 . 1 39 39 PRO HG2 H 1 2.414 0.02 . 2 . . . . . 63 PRO HG2 . 51662 1 416 . 1 . 1 39 39 PRO HG3 H 1 2.124 0.02 . 2 . . . . . 63 PRO HG3 . 51662 1 417 . 1 . 1 39 39 PRO HD2 H 1 4.117 0.02 . 2 . . . . . 63 PRO HD2 . 51662 1 418 . 1 . 1 39 39 PRO HD3 H 1 4.247 0.02 . 2 . . . . . 63 PRO HD3 . 51662 1 419 . 1 . 1 39 39 PRO C C 13 177.626 0.2 . 1 . . . . . 63 PRO C . 51662 1 420 . 1 . 1 39 39 PRO CA C 13 63.927 0.2 . 1 . . . . . 63 PRO CA . 51662 1 421 . 1 . 1 39 39 PRO CB C 13 32.330 0.2 . 1 . . . . . 63 PRO CB . 51662 1 422 . 1 . 1 39 39 PRO CG C 13 27.535 0.2 . 1 . . . . . 63 PRO CG . 51662 1 423 . 1 . 1 39 39 PRO CD C 13 50.820 0.2 . 1 . . . . . 63 PRO CD . 51662 1 424 . 1 . 1 40 40 ASP H H 1 8.000 0.02 . 1 . . . . . 64 ASP H . 51662 1 425 . 1 . 1 40 40 ASP HA H 1 4.558 0.02 . 1 . . . . . 64 ASP HA . 51662 1 426 . 1 . 1 40 40 ASP HB2 H 1 2.618 0.02 . 2 . . . . . 64 ASP HB2 . 51662 1 427 . 1 . 1 40 40 ASP HB3 H 1 2.860 0.02 . 2 . . . . . 64 ASP HB3 . 51662 1 428 . 1 . 1 40 40 ASP C C 13 176.005 0.2 . 1 . . . . . 64 ASP C . 51662 1 429 . 1 . 1 40 40 ASP CA C 13 52.537 0.2 . 1 . . . . . 64 ASP CA . 51662 1 430 . 1 . 1 40 40 ASP CB C 13 42.256 0.2 . 1 . . . . . 64 ASP CB . 51662 1 431 . 1 . 1 40 40 ASP N N 15 114.212 0.2 . 1 . . . . . 64 ASP N . 51662 1 432 . 1 . 1 41 41 GLY H H 1 7.829 0.02 . 1 . . . . . 65 GLY H . 51662 1 433 . 1 . 1 41 41 GLY HA2 H 1 3.203 0.02 . 2 . . . . . 65 GLY HA2 . 51662 1 434 . 1 . 1 41 41 GLY HA3 H 1 3.646 0.02 . 2 . . . . . 65 GLY HA3 . 51662 1 435 . 1 . 1 41 41 GLY C C 13 173.908 0.2 . 1 . . . . . 65 GLY C . 51662 1 436 . 1 . 1 41 41 GLY CA C 13 45.287 0.2 . 1 . . . . . 65 GLY CA . 51662 1 437 . 1 . 1 41 41 GLY N N 15 110.220 0.2 . 1 . . . . . 65 GLY N . 51662 1 438 . 1 . 1 42 42 ASN H H 1 7.622 0.02 . 1 . . . . . 66 ASN H . 51662 1 439 . 1 . 1 42 42 ASN HA H 1 4.811 0.02 . 1 . . . . . 66 ASN HA . 51662 1 440 . 1 . 1 42 42 ASN HB2 H 1 2.533 0.02 . 2 . . . . . 66 ASN HB2 . 51662 1 441 . 1 . 1 42 42 ASN HB3 H 1 2.765 0.02 . 2 . . . . . 66 ASN HB3 . 51662 1 442 . 1 . 1 42 42 ASN HD21 H 1 7.348 0.02 . 1 . . . . . 66 ASN HD21 . 51662 1 443 . 1 . 1 42 42 ASN HD22 H 1 6.711 0.02 . 1 . . . . . 66 ASN HD22 . 51662 1 444 . 1 . 1 42 42 ASN C C 13 172.510 0.2 . 1 . . . . . 66 ASN C . 51662 1 445 . 1 . 1 42 42 ASN CA C 13 52.433 0.2 . 1 . . . . . 66 ASN CA . 51662 1 446 . 1 . 1 42 42 ASN CB C 13 38.065 0.2 . 1 . . . . . 66 ASN CB . 51662 1 447 . 1 . 1 42 42 ASN N N 15 120.203 0.2 . 1 . . . . . 66 ASN N . 51662 1 448 . 1 . 1 42 42 ASN ND2 N 15 112.992 0.2 . 1 . . . . . 66 ASN ND2 . 51662 1 449 . 1 . 1 43 43 TRP H H 1 7.735 0.02 . 1 . . . . . 67 TRP H . 51662 1 450 . 1 . 1 43 43 TRP HA H 1 4.688 0.02 . 1 . . . . . 67 TRP HA . 51662 1 451 . 1 . 1 43 43 TRP HB2 H 1 2.736 0.02 . 2 . . . . . 67 TRP HB2 . 51662 1 452 . 1 . 1 43 43 TRP HB3 H 1 2.864 0.02 . 2 . . . . . 67 TRP HB3 . 51662 1 453 . 1 . 1 43 43 TRP HD1 H 1 5.764 0.02 . 1 . . . . . 67 TRP HD1 . 51662 1 454 . 1 . 1 43 43 TRP HE1 H 1 8.128 0.02 . 1 . . . . . 67 TRP HE1 . 51662 1 455 . 1 . 1 43 43 TRP HE3 H 1 7.047 0.02 . 1 . . . . . 67 TRP HE3 . 51662 1 456 . 1 . 1 43 43 TRP HZ2 H 1 6.083 0.02 . 1 . . . . . 67 TRP HZ2 . 51662 1 457 . 1 . 1 43 43 TRP HZ3 H 1 6.784 0.02 . 1 . . . . . 67 TRP HZ3 . 51662 1 458 . 1 . 1 43 43 TRP HH2 H 1 6.712 0.02 . 1 . . . . . 67 TRP HH2 . 51662 1 459 . 1 . 1 43 43 TRP C C 13 174.447 0.2 . 1 . . . . . 67 TRP C . 51662 1 460 . 1 . 1 43 43 TRP CA C 13 56.996 0.2 . 1 . . . . . 67 TRP CA . 51662 1 461 . 1 . 1 43 43 TRP CB C 13 31.112 0.2 . 1 . . . . . 67 TRP CB . 51662 1 462 . 1 . 1 43 43 TRP CD1 C 13 124.414 0.2 . 1 . . . . . 67 TRP CD1 . 51662 1 463 . 1 . 1 43 43 TRP CE3 C 13 119.482 0.2 . 1 . . . . . 67 TRP CE3 . 51662 1 464 . 1 . 1 43 43 TRP CZ2 C 13 112.13 0.2 . 1 . . . . . 67 TRP CZ2 . 51662 1 465 . 1 . 1 43 43 TRP CZ3 C 13 121.346 0.2 . 1 . . . . . 67 TRP CZ3 . 51662 1 466 . 1 . 1 43 43 TRP CH2 C 13 124.051 0.2 . 1 . . . . . 67 TRP CH2 . 51662 1 467 . 1 . 1 43 43 TRP N N 15 123.474 0.2 . 1 . . . . . 67 TRP N . 51662 1 468 . 1 . 1 43 43 TRP NE1 N 15 126.217 0.2 . 1 . . . . . 67 TRP NE1 . 51662 1 469 . 1 . 1 44 44 ASN H H 1 6.093 0.02 . 1 . . . . . 68 ASN H . 51662 1 470 . 1 . 1 44 44 ASN HA H 1 3.734 0.02 . 1 . . . . . 68 ASN HA . 51662 1 471 . 1 . 1 44 44 ASN HB2 H 1 2.406 0.02 . 2 . . . . . 68 ASN HB2 . 51662 1 472 . 1 . 1 44 44 ASN HB3 H 1 2.487 0.02 . 2 . . . . . 68 ASN HB3 . 51662 1 473 . 1 . 1 44 44 ASN HD21 H 1 7.335 0.02 . 1 . . . . . 68 ASN HD21 . 51662 1 474 . 1 . 1 44 44 ASN HD22 H 1 6.552 0.02 . 1 . . . . . 68 ASN HD22 . 51662 1 475 . 1 . 1 44 44 ASN C C 13 172.295 0.2 . 1 . . . . . 68 ASN C . 51662 1 476 . 1 . 1 44 44 ASN CA C 13 51.649 0.2 . 1 . . . . . 68 ASN CA . 51662 1 477 . 1 . 1 44 44 ASN CB C 13 41.514 0.2 . 1 . . . . . 68 ASN CB . 51662 1 478 . 1 . 1 44 44 ASN N N 15 121.645 0.2 . 1 . . . . . 68 ASN N . 51662 1 479 . 1 . 1 44 44 ASN ND2 N 15 114.333 0.2 . 1 . . . . . 68 ASN ND2 . 51662 1 480 . 1 . 1 45 45 GLN H H 1 7.820 0.02 . 1 . . . . . 69 GLN H . 51662 1 481 . 1 . 1 45 45 GLN HA H 1 3.243 0.02 . 1 . . . . . 69 GLN HA . 51662 1 482 . 1 . 1 45 45 GLN HB2 H 1 1.647 0.02 . 2 . . . . . 69 GLN HB2 . 51662 1 483 . 1 . 1 45 45 GLN HB3 H 1 1.972 0.02 . 2 . . . . . 69 GLN HB3 . 51662 1 484 . 1 . 1 45 45 GLN HG2 H 1 2.422 0.02 . 1 . . . . . 69 GLN HG2 . 51662 1 485 . 1 . 1 45 45 GLN HG3 H 1 2.422 0.02 . 1 . . . . . 69 GLN HG3 . 51662 1 486 . 1 . 1 45 45 GLN HE21 H 1 8.071 0.02 . 1 . . . . . 69 GLN HE21 . 51662 1 487 . 1 . 1 45 45 GLN HE22 H 1 6.797 0.02 . 1 . . . . . 69 GLN HE22 . 51662 1 488 . 1 . 1 45 45 GLN C C 13 176.937 0.2 . 1 . . . . . 69 GLN C . 51662 1 489 . 1 . 1 45 45 GLN CA C 13 57.999 0.2 . 1 . . . . . 69 GLN CA . 51662 1 490 . 1 . 1 45 45 GLN CB C 13 28.470 0.2 . 1 . . . . . 69 GLN CB . 51662 1 491 . 1 . 1 45 45 GLN CG C 13 32.880 0.2 . 1 . . . . . 69 GLN CG . 51662 1 492 . 1 . 1 45 45 GLN N N 15 119.121 0.2 . 1 . . . . . 69 GLN N . 51662 1 493 . 1 . 1 45 45 GLN NE2 N 15 113.690 0.2 . 1 . . . . . 69 GLN NE2 . 51662 1 494 . 1 . 1 46 46 ALA H H 1 7.886 0.02 . 1 . . . . . 70 ALA H . 51662 1 495 . 1 . 1 46 46 ALA HA H 1 4.027 0.02 . 1 . . . . . 70 ALA HA . 51662 1 496 . 1 . 1 46 46 ALA HB1 H 1 1.249 0.02 . 1 . . . . . 70 ALA HB1 . 51662 1 497 . 1 . 1 46 46 ALA HB2 H 1 1.249 0.02 . 1 . . . . . 70 ALA HB2 . 51662 1 498 . 1 . 1 46 46 ALA HB3 H 1 1.249 0.02 . 1 . . . . . 70 ALA HB3 . 51662 1 499 . 1 . 1 46 46 ALA C C 13 179.501 0.2 . 1 . . . . . 70 ALA C . 51662 1 500 . 1 . 1 46 46 ALA CA C 13 55.303 0.2 . 1 . . . . . 70 ALA CA . 51662 1 501 . 1 . 1 46 46 ALA CB C 13 17.468 0.2 . 1 . . . . . 70 ALA CB . 51662 1 502 . 1 . 1 46 46 ALA N N 15 120.935 0.2 . 1 . . . . . 70 ALA N . 51662 1 503 . 1 . 1 47 47 MET H H 1 7.375 0.02 . 1 . . . . . 71 MET H . 51662 1 504 . 1 . 1 47 47 MET HA H 1 3.933 0.02 . 1 . . . . . 71 MET HA . 51662 1 505 . 1 . 1 47 47 MET HB2 H 1 1.619 0.02 . 2 . . . . . 71 MET HB2 . 51662 1 506 . 1 . 1 47 47 MET HB3 H 1 2.107 0.02 . 2 . . . . . 71 MET HB3 . 51662 1 507 . 1 . 1 47 47 MET HG2 H 1 2.210 0.02 . 2 . . . . . 71 MET HG2 . 51662 1 508 . 1 . 1 47 47 MET HG3 H 1 2.642 0.02 . 2 . . . . . 71 MET HG3 . 51662 1 509 . 1 . 1 47 47 MET HE1 H 1 1.973 0.02 . 1 . . . . . 71 MET HE1 . 51662 1 510 . 1 . 1 47 47 MET HE2 H 1 1.973 0.02 . 1 . . . . . 71 MET HE2 . 51662 1 511 . 1 . 1 47 47 MET HE3 H 1 1.973 0.02 . 1 . . . . . 71 MET HE3 . 51662 1 512 . 1 . 1 47 47 MET C C 13 178.293 0.2 . 1 . . . . . 71 MET C . 51662 1 513 . 1 . 1 47 47 MET CA C 13 59.259 0.2 . 1 . . . . . 71 MET CA . 51662 1 514 . 1 . 1 47 47 MET CB C 13 33.837 0.2 . 1 . . . . . 71 MET CB . 51662 1 515 . 1 . 1 47 47 MET CG C 13 31.150 0.2 . 1 . . . . . 71 MET CG . 51662 1 516 . 1 . 1 47 47 MET CE C 13 15.650 0.2 . 1 . . . . . 71 MET CE . 51662 1 517 . 1 . 1 47 47 MET N N 15 115.523 0.2 . 1 . . . . . 71 MET N . 51662 1 518 . 1 . 1 48 48 PHE H H 1 7.114 0.02 . 1 . . . . . 72 PHE H . 51662 1 519 . 1 . 1 48 48 PHE HA H 1 5.088 0.02 . 1 . . . . . 72 PHE HA . 51662 1 520 . 1 . 1 48 48 PHE HB2 H 1 3.354 0.02 . 2 . . . . . 72 PHE HB2 . 51662 1 521 . 1 . 1 48 48 PHE HB3 H 1 3.643 0.02 . 2 . . . . . 72 PHE HB3 . 51662 1 522 . 1 . 1 48 48 PHE HD1 H 1 7.339 0.02 . 1 . . . . . 72 PHE HD1 . 51662 1 523 . 1 . 1 48 48 PHE HD2 H 1 7.339 0.02 . 1 . . . . . 72 PHE HD2 . 51662 1 524 . 1 . 1 48 48 PHE HE1 H 1 6.930 0.02 . 1 . . . . . 72 PHE HE1 . 51662 1 525 . 1 . 1 48 48 PHE HE2 H 1 6.930 0.02 . 1 . . . . . 72 PHE HE2 . 51662 1 526 . 1 . 1 48 48 PHE HZ H 1 7.317 0.02 . 1 . . . . . 72 PHE HZ . 51662 1 527 . 1 . 1 48 48 PHE C C 13 179.950 0.2 . 1 . . . . . 72 PHE C . 51662 1 528 . 1 . 1 48 48 PHE CA C 13 60.144 0.2 . 1 . . . . . 72 PHE CA . 51662 1 529 . 1 . 1 48 48 PHE CB C 13 39.763 0.2 . 1 . . . . . 72 PHE CB . 51662 1 530 . 1 . 1 48 48 PHE CD1 C 13 131.637 0.2 . 1 . . . . . 72 PHE CD1 . 51662 1 531 . 1 . 1 48 48 PHE CD2 C 13 131.637 0.2 . 1 . . . . . 72 PHE CD2 . 51662 1 532 . 1 . 1 48 48 PHE CE1 C 13 132.101 0.2 . 1 . . . . . 72 PHE CE1 . 51662 1 533 . 1 . 1 48 48 PHE CE2 C 13 132.101 0.2 . 1 . . . . . 72 PHE CE2 . 51662 1 534 . 1 . 1 48 48 PHE CZ C 13 130.363 0.2 . 1 . . . . . 72 PHE CZ . 51662 1 535 . 1 . 1 48 48 PHE N N 15 118.591 0.2 . 1 . . . . . 72 PHE N . 51662 1 536 . 1 . 1 49 49 ASP H H 1 8.794 0.02 . 1 . . . . . 73 ASP H . 51662 1 537 . 1 . 1 49 49 ASP HA H 1 4.117 0.02 . 1 . . . . . 73 ASP HA . 51662 1 538 . 1 . 1 49 49 ASP HB2 H 1 2.546 0.02 . 2 . . . . . 73 ASP HB2 . 51662 1 539 . 1 . 1 49 49 ASP HB3 H 1 2.683 0.02 . 2 . . . . . 73 ASP HB3 . 51662 1 540 . 1 . 1 49 49 ASP C C 13 177.669 0.2 . 1 . . . . . 73 ASP C . 51662 1 541 . 1 . 1 49 49 ASP CA C 13 57.754 0.2 . 1 . . . . . 73 ASP CA . 51662 1 542 . 1 . 1 49 49 ASP CB C 13 40.092 0.2 . 1 . . . . . 73 ASP CB . 51662 1 543 . 1 . 1 49 49 ASP N N 15 124.438 0.2 . 1 . . . . . 73 ASP N . 51662 1 544 . 1 . 1 50 50 ASN H H 1 8.103 0.02 . 1 . . . . . 74 ASN H . 51662 1 545 . 1 . 1 50 50 ASN HA H 1 4.699 0.02 . 1 . . . . . 74 ASN HA . 51662 1 546 . 1 . 1 50 50 ASN HB2 H 1 2.780 0.02 . 2 . . . . . 74 ASN HB2 . 51662 1 547 . 1 . 1 50 50 ASN HB3 H 1 2.983 0.02 . 2 . . . . . 74 ASN HB3 . 51662 1 548 . 1 . 1 50 50 ASN HD21 H 1 7.743 0.02 . 1 . . . . . 74 ASN HD21 . 51662 1 549 . 1 . 1 50 50 ASN HD22 H 1 6.818 0.02 . 1 . . . . . 74 ASN HD22 . 51662 1 550 . 1 . 1 50 50 ASN C C 13 173.962 0.2 . 1 . . . . . 74 ASN C . 51662 1 551 . 1 . 1 50 50 ASN CA C 13 52.884 0.2 . 1 . . . . . 74 ASN CA . 51662 1 552 . 1 . 1 50 50 ASN CB C 13 38.693 0.2 . 1 . . . . . 74 ASN CB . 51662 1 553 . 1 . 1 50 50 ASN N N 15 114.241 0.2 . 1 . . . . . 74 ASN N . 51662 1 554 . 1 . 1 50 50 ASN ND2 N 15 113.278 0.2 . 1 . . . . . 74 ASN ND2 . 51662 1 555 . 1 . 1 51 51 LYS H H 1 8.173 0.02 . 1 . . . . . 75 LYS H . 51662 1 556 . 1 . 1 51 51 LYS HA H 1 3.506 0.02 . 1 . . . . . 75 LYS HA . 51662 1 557 . 1 . 1 51 51 LYS HB2 H 1 1.541 0.02 . 2 . . . . . 75 LYS HB2 . 51662 1 558 . 1 . 1 51 51 LYS HB3 H 1 1.789 0.02 . 2 . . . . . 75 LYS HB3 . 51662 1 559 . 1 . 1 51 51 LYS HG2 H 1 1.204 0.02 . 2 . . . . . 75 LYS HG2 . 51662 1 560 . 1 . 1 51 51 LYS HG3 H 1 1.226 0.02 . 2 . . . . . 75 LYS HG3 . 51662 1 561 . 1 . 1 51 51 LYS HD2 H 1 1.638 0.02 . 2 . . . . . 75 LYS HD2 . 51662 1 562 . 1 . 1 51 51 LYS HD3 H 1 1.606 0.02 . 2 . . . . . 75 LYS HD3 . 51662 1 563 . 1 . 1 51 51 LYS HE2 H 1 2.988 0.02 . 1 . . . . . 75 LYS HE2 . 51662 1 564 . 1 . 1 51 51 LYS HE3 H 1 2.988 0.02 . 1 . . . . . 75 LYS HE3 . 51662 1 565 . 1 . 1 51 51 LYS C C 13 175.669 0.2 . 1 . . . . . 75 LYS C . 51662 1 566 . 1 . 1 51 51 LYS CA C 13 57.175 0.2 . 1 . . . . . 75 LYS CA . 51662 1 567 . 1 . 1 51 51 LYS CB C 13 29.114 0.2 . 1 . . . . . 75 LYS CB . 51662 1 568 . 1 . 1 51 51 LYS CG C 13 25.195 0.2 . 1 . . . . . 75 LYS CG . 51662 1 569 . 1 . 1 51 51 LYS CD C 13 29.352 0.2 . 1 . . . . . 75 LYS CD . 51662 1 570 . 1 . 1 51 51 LYS CE C 13 42.457 0.2 . 1 . . . . . 75 LYS CE . 51662 1 571 . 1 . 1 51 51 LYS N N 15 117.615 0.2 . 1 . . . . . 75 LYS N . 51662 1 572 . 1 . 1 52 52 GLU H H 1 8.276 0.02 . 1 . . . . . 76 GLU H . 51662 1 573 . 1 . 1 52 52 GLU HA H 1 4.235 0.02 . 1 . . . . . 76 GLU HA . 51662 1 574 . 1 . 1 52 52 GLU HB2 H 1 2.148 0.02 . 2 . . . . . 76 GLU HB2 . 51662 1 575 . 1 . 1 52 52 GLU HB3 H 1 2.579 0.02 . 2 . . . . . 76 GLU HB3 . 51662 1 576 . 1 . 1 52 52 GLU HG2 H 1 2.306 0.02 . 1 . . . . . 76 GLU HG2 . 51662 1 577 . 1 . 1 52 52 GLU HG3 H 1 2.306 0.02 . 1 . . . . . 76 GLU HG3 . 51662 1 578 . 1 . 1 52 52 GLU C C 13 176.234 0.2 . 1 . . . . . 76 GLU C . 51662 1 579 . 1 . 1 52 52 GLU CA C 13 57.450 0.2 . 1 . . . . . 76 GLU CA . 51662 1 580 . 1 . 1 52 52 GLU CB C 13 29.592 0.2 . 1 . . . . . 76 GLU CB . 51662 1 581 . 1 . 1 52 52 GLU CG C 13 37.798 0.2 . 1 . . . . . 76 GLU CG . 51662 1 582 . 1 . 1 52 52 GLU N N 15 113.694 0.2 . 1 . . . . . 76 GLU N . 51662 1 583 . 1 . 1 53 53 TYR H H 1 6.524 0.02 . 1 . . . . . 77 TYR H . 51662 1 584 . 1 . 1 53 53 TYR HA H 1 4.317 0.02 . 1 . . . . . 77 TYR HA . 51662 1 585 . 1 . 1 53 53 TYR HB2 H 1 1.673 0.02 . 2 . . . . . 77 TYR HB2 . 51662 1 586 . 1 . 1 53 53 TYR HB3 H 1 2.869 0.02 . 2 . . . . . 77 TYR HB3 . 51662 1 587 . 1 . 1 53 53 TYR HD1 H 1 7.025 0.02 . 1 . . . . . 77 TYR HD1 . 51662 1 588 . 1 . 1 53 53 TYR HD2 H 1 7.025 0.02 . 1 . . . . . 77 TYR HD2 . 51662 1 589 . 1 . 1 53 53 TYR HE1 H 1 6.888 0.02 . 1 . . . . . 77 TYR HE1 . 51662 1 590 . 1 . 1 53 53 TYR HE2 H 1 6.888 0.02 . 1 . . . . . 77 TYR HE2 . 51662 1 591 . 1 . 1 53 53 TYR C C 13 174.940 0.2 . 1 . . . . . 77 TYR C . 51662 1 592 . 1 . 1 53 53 TYR CA C 13 55.113 0.2 . 1 . . . . . 77 TYR CA . 51662 1 593 . 1 . 1 53 53 TYR CB C 13 37.429 0.2 . 1 . . . . . 77 TYR CB . 51662 1 594 . 1 . 1 53 53 TYR CD1 C 13 133.757 0.2 . 1 . . . . . 77 TYR CD1 . 51662 1 595 . 1 . 1 53 53 TYR CD2 C 13 133.757 0.2 . 1 . . . . . 77 TYR CD2 . 51662 1 596 . 1 . 1 53 53 TYR CE1 C 13 119.205 0.2 . 1 . . . . . 77 TYR CE1 . 51662 1 597 . 1 . 1 53 53 TYR CE2 C 13 119.205 0.2 . 1 . . . . . 77 TYR CE2 . 51662 1 598 . 1 . 1 53 53 TYR N N 15 115.206 0.2 . 1 . . . . . 77 TYR N . 51662 1 599 . 1 . 1 54 54 SER H H 1 9.104 0.02 . 1 . . . . . 78 SER H . 51662 1 600 . 1 . 1 54 54 SER HA H 1 4.834 0.02 . 1 . . . . . 78 SER HA . 51662 1 601 . 1 . 1 54 54 SER HB2 H 1 3.993 0.02 . 2 . . . . . 78 SER HB2 . 51662 1 602 . 1 . 1 54 54 SER HB3 H 1 4.092 0.02 . 2 . . . . . 78 SER HB3 . 51662 1 603 . 1 . 1 54 54 SER C C 13 174.109 0.2 . 1 . . . . . 78 SER C . 51662 1 604 . 1 . 1 54 54 SER CA C 13 58.162 0.2 . 1 . . . . . 78 SER CA . 51662 1 605 . 1 . 1 54 54 SER CB C 13 64.849 0.2 . 1 . . . . . 78 SER CB . 51662 1 606 . 1 . 1 54 54 SER N N 15 113.028 0.2 . 1 . . . . . 78 SER N . 51662 1 607 . 1 . 1 55 55 TYR H H 1 7.946 0.02 . 1 . . . . . 79 TYR H . 51662 1 608 . 1 . 1 55 55 TYR HA H 1 4.956 0.02 . 1 . . . . . 79 TYR HA . 51662 1 609 . 1 . 1 55 55 TYR HB2 H 1 2.650 0.02 . 2 . . . . . 79 TYR HB2 . 51662 1 610 . 1 . 1 55 55 TYR HB3 H 1 3.328 0.02 . 2 . . . . . 79 TYR HB3 . 51662 1 611 . 1 . 1 55 55 TYR HD1 H 1 6.892 0.02 . 1 . . . . . 79 TYR HD1 . 51662 1 612 . 1 . 1 55 55 TYR HD2 H 1 6.892 0.02 . 1 . . . . . 79 TYR HD2 . 51662 1 613 . 1 . 1 55 55 TYR HE1 H 1 6.566 0.02 . 1 . . . . . 79 TYR HE1 . 51662 1 614 . 1 . 1 55 55 TYR HE2 H 1 6.566 0.02 . 1 . . . . . 79 TYR HE2 . 51662 1 615 . 1 . 1 55 55 TYR C C 13 173.676 0.2 . 1 . . . . . 79 TYR C . 51662 1 616 . 1 . 1 55 55 TYR CA C 13 58.676 0.2 . 1 . . . . . 79 TYR CA . 51662 1 617 . 1 . 1 55 55 TYR CB C 13 41.856 0.2 . 1 . . . . . 79 TYR CB . 51662 1 618 . 1 . 1 55 55 TYR CD1 C 13 132.804 0.2 . 1 . . . . . 79 TYR CD1 . 51662 1 619 . 1 . 1 55 55 TYR CD2 C 13 132.804 0.2 . 1 . . . . . 79 TYR CD2 . 51662 1 620 . 1 . 1 55 55 TYR CE1 C 13 118.334 0.2 . 1 . . . . . 79 TYR CE1 . 51662 1 621 . 1 . 1 55 55 TYR CE2 C 13 118.334 0.2 . 1 . . . . . 79 TYR CE2 . 51662 1 622 . 1 . 1 55 55 TYR N N 15 121.709 0.2 . 1 . . . . . 79 TYR N . 51662 1 623 . 1 . 1 56 56 THR H H 1 7.380 0.02 . 1 . . . . . 80 THR H . 51662 1 624 . 1 . 1 56 56 THR HA H 1 5.488 0.02 . 1 . . . . . 80 THR HA . 51662 1 625 . 1 . 1 56 56 THR HB H 1 3.576 0.02 . 1 . . . . . 80 THR HB . 51662 1 626 . 1 . 1 56 56 THR HG21 H 1 0.958 0.02 . 1 . . . . . 80 THR HG21 . 51662 1 627 . 1 . 1 56 56 THR HG22 H 1 0.958 0.02 . 1 . . . . . 80 THR HG22 . 51662 1 628 . 1 . 1 56 56 THR HG23 H 1 0.958 0.02 . 1 . . . . . 80 THR HG23 . 51662 1 629 . 1 . 1 56 56 THR C C 13 172.089 0.2 . 1 . . . . . 80 THR C . 51662 1 630 . 1 . 1 56 56 THR CA C 13 59.321 0.2 . 1 . . . . . 80 THR CA . 51662 1 631 . 1 . 1 56 56 THR CB C 13 71.845 0.2 . 1 . . . . . 80 THR CB . 51662 1 632 . 1 . 1 56 56 THR CG2 C 13 22.521 0.2 . 1 . . . . . 80 THR CG2 . 51662 1 633 . 1 . 1 56 56 THR N N 15 118.567 0.2 . 1 . . . . . 80 THR N . 51662 1 634 . 1 . 1 57 57 PHE H H 1 7.890 0.02 . 1 . . . . . 81 PHE H . 51662 1 635 . 1 . 1 57 57 PHE HA H 1 4.643 0.02 . 1 . . . . . 81 PHE HA . 51662 1 636 . 1 . 1 57 57 PHE HB2 H 1 2.984 0.02 . 2 . . . . . 81 PHE HB2 . 51662 1 637 . 1 . 1 57 57 PHE HB3 H 1 2.927 0.02 . 2 . . . . . 81 PHE HB3 . 51662 1 638 . 1 . 1 57 57 PHE HD1 H 1 6.735 0.02 . 1 . . . . . 81 PHE HD1 . 51662 1 639 . 1 . 1 57 57 PHE HD2 H 1 6.735 0.02 . 1 . . . . . 81 PHE HD2 . 51662 1 640 . 1 . 1 57 57 PHE HE1 H 1 6.587 0.02 . 1 . . . . . 81 PHE HE1 . 51662 1 641 . 1 . 1 57 57 PHE HE2 H 1 6.587 0.02 . 1 . . . . . 81 PHE HE2 . 51662 1 642 . 1 . 1 57 57 PHE HZ H 1 5.795 0.02 . 1 . . . . . 81 PHE HZ . 51662 1 643 . 1 . 1 57 57 PHE C C 13 172.096 0.2 . 1 . . . . . 81 PHE C . 51662 1 644 . 1 . 1 57 57 PHE CA C 13 56.936 0.2 . 1 . . . . . 81 PHE CA . 51662 1 645 . 1 . 1 57 57 PHE CB C 13 41.368 0.2 . 1 . . . . . 81 PHE CB . 51662 1 646 . 1 . 1 57 57 PHE CD1 C 13 131.771 0.2 . 1 . . . . . 81 PHE CD1 . 51662 1 647 . 1 . 1 57 57 PHE CD2 C 13 131.771 0.2 . 1 . . . . . 81 PHE CD2 . 51662 1 648 . 1 . 1 57 57 PHE CE1 C 13 130.434 0.2 . 1 . . . . . 81 PHE CE1 . 51662 1 649 . 1 . 1 57 57 PHE CE2 C 13 130.434 0.2 . 1 . . . . . 81 PHE CE2 . 51662 1 650 . 1 . 1 57 57 PHE CZ C 13 128.738 0.2 . 1 . . . . . 81 PHE CZ . 51662 1 651 . 1 . 1 57 57 PHE N N 15 116.375 0.2 . 1 . . . . . 81 PHE N . 51662 1 652 . 1 . 1 58 58 VAL H H 1 8.415 0.02 . 1 . . . . . 82 VAL H . 51662 1 653 . 1 . 1 58 58 VAL HA H 1 4.497 0.02 . 1 . . . . . 82 VAL HA . 51662 1 654 . 1 . 1 58 58 VAL HB H 1 1.760 0.02 . 1 . . . . . 82 VAL HB . 51662 1 655 . 1 . 1 58 58 VAL HG11 H 1 0.806 0.02 . 1 . . . . . 82 VAL HG11 . 51662 1 656 . 1 . 1 58 58 VAL HG12 H 1 0.806 0.02 . 1 . . . . . 82 VAL HG12 . 51662 1 657 . 1 . 1 58 58 VAL HG13 H 1 0.806 0.02 . 1 . . . . . 82 VAL HG13 . 51662 1 658 . 1 . 1 58 58 VAL HG21 H 1 0.824 0.02 . 1 . . . . . 82 VAL HG21 . 51662 1 659 . 1 . 1 58 58 VAL HG22 H 1 0.824 0.02 . 1 . . . . . 82 VAL HG22 . 51662 1 660 . 1 . 1 58 58 VAL HG23 H 1 0.824 0.02 . 1 . . . . . 82 VAL HG23 . 51662 1 661 . 1 . 1 58 58 VAL C C 13 176.109 0.2 . 1 . . . . . 82 VAL C . 51662 1 662 . 1 . 1 58 58 VAL CA C 13 61.278 0.2 . 1 . . . . . 82 VAL CA . 51662 1 663 . 1 . 1 58 58 VAL CB C 13 32.860 0.2 . 1 . . . . . 82 VAL CB . 51662 1 664 . 1 . 1 58 58 VAL CG1 C 13 21.165 0.2 . 1 . . . . . 82 VAL CG1 . 51662 1 665 . 1 . 1 58 58 VAL CG2 C 13 20.666 0.2 . 1 . . . . . 82 VAL CG2 . 51662 1 666 . 1 . 1 58 58 VAL N N 15 123.509 0.2 . 1 . . . . . 82 VAL N . 51662 1 667 . 1 . 1 59 59 ASP H H 1 8.780 0.02 . 1 . . . . . 83 ASP H . 51662 1 668 . 1 . 1 59 59 ASP HA H 1 4.669 0.02 . 1 . . . . . 83 ASP HA . 51662 1 669 . 1 . 1 59 59 ASP HB2 H 1 2.552 0.02 . 2 . . . . . 83 ASP HB2 . 51662 1 670 . 1 . 1 59 59 ASP HB3 H 1 3.581 0.02 . 2 . . . . . 83 ASP HB3 . 51662 1 671 . 1 . 1 59 59 ASP C C 13 177.687 0.2 . 1 . . . . . 83 ASP C . 51662 1 672 . 1 . 1 59 59 ASP CA C 13 52.982 0.2 . 1 . . . . . 83 ASP CA . 51662 1 673 . 1 . 1 59 59 ASP CB C 13 42.133 0.2 . 1 . . . . . 83 ASP CB . 51662 1 674 . 1 . 1 59 59 ASP N N 15 126.299 0.2 . 1 . . . . . 83 ASP N . 51662 1 675 . 1 . 1 60 60 ALA H H 1 8.429 0.02 . 1 . . . . . 84 ALA H . 51662 1 676 . 1 . 1 60 60 ALA HA H 1 4.121 0.02 . 1 . . . . . 84 ALA HA . 51662 1 677 . 1 . 1 60 60 ALA HB1 H 1 1.453 0.02 . 1 . . . . . 84 ALA HB1 . 51662 1 678 . 1 . 1 60 60 ALA HB2 H 1 1.453 0.02 . 1 . . . . . 84 ALA HB2 . 51662 1 679 . 1 . 1 60 60 ALA HB3 H 1 1.453 0.02 . 1 . . . . . 84 ALA HB3 . 51662 1 680 . 1 . 1 60 60 ALA C C 13 178.626 0.2 . 1 . . . . . 84 ALA C . 51662 1 681 . 1 . 1 60 60 ALA CA C 13 54.333 0.2 . 1 . . . . . 84 ALA CA . 51662 1 682 . 1 . 1 60 60 ALA CB C 13 18.478 0.2 . 1 . . . . . 84 ALA CB . 51662 1 683 . 1 . 1 60 60 ALA N N 15 119.643 0.2 . 1 . . . . . 84 ALA N . 51662 1 684 . 1 . 1 61 61 GLN H H 1 8.135 0.02 . 1 . . . . . 85 GLN H . 51662 1 685 . 1 . 1 61 61 GLN HA H 1 4.326 0.02 . 1 . . . . . 85 GLN HA . 51662 1 686 . 1 . 1 61 61 GLN HB2 H 1 2.148 0.02 . 2 . . . . . 85 GLN HB2 . 51662 1 687 . 1 . 1 61 61 GLN HB3 H 1 2.248 0.02 . 2 . . . . . 85 GLN HB3 . 51662 1 688 . 1 . 1 61 61 GLN HG2 H 1 2.345 0.02 . 2 . . . . . 85 GLN HG2 . 51662 1 689 . 1 . 1 61 61 GLN HG3 H 1 2.461 0.02 . 2 . . . . . 85 GLN HG3 . 51662 1 690 . 1 . 1 61 61 GLN C C 13 175.577 0.2 . 1 . . . . . 85 GLN C . 51662 1 691 . 1 . 1 61 61 GLN CA C 13 55.894 0.2 . 1 . . . . . 85 GLN CA . 51662 1 692 . 1 . 1 61 61 GLN CB C 13 29.295 0.2 . 1 . . . . . 85 GLN CB . 51662 1 693 . 1 . 1 61 61 GLN CG C 13 35.287 0.2 . 1 . . . . . 85 GLN CG . 51662 1 694 . 1 . 1 61 61 GLN N N 15 116.050 0.2 . 1 . . . . . 85 GLN N . 51662 1 695 . 1 . 1 62 62 GLY H H 1 7.939 0.02 . 1 . . . . . 86 GLY H . 51662 1 696 . 1 . 1 62 62 GLY HA2 H 1 3.369 0.02 . 2 . . . . . 86 GLY HA2 . 51662 1 697 . 1 . 1 62 62 GLY HA3 H 1 3.953 0.02 . 2 . . . . . 86 GLY HA3 . 51662 1 698 . 1 . 1 62 62 GLY C C 13 174.329 0.2 . 1 . . . . . 86 GLY C . 51662 1 699 . 1 . 1 62 62 GLY CA C 13 45.293 0.2 . 1 . . . . . 86 GLY CA . 51662 1 700 . 1 . 1 62 62 GLY N N 15 106.590 0.2 . 1 . . . . . 86 GLY N . 51662 1 701 . 1 . 1 63 63 HIS H H 1 8.421 0.02 . 1 . . . . . 87 HIS H . 51662 1 702 . 1 . 1 63 63 HIS HA H 1 4.748 0.02 . 1 . . . . . 87 HIS HA . 51662 1 703 . 1 . 1 63 63 HIS HB2 H 1 3.188 0.02 . 2 . . . . . 87 HIS HB2 . 51662 1 704 . 1 . 1 63 63 HIS HB3 H 1 3.792 0.02 . 2 . . . . . 87 HIS HB3 . 51662 1 705 . 1 . 1 63 63 HIS HD2 H 1 7.684 0.02 . 1 . . . . . 87 HIS HD2 . 51662 1 706 . 1 . 1 63 63 HIS HE1 H 1 8.609 0.02 . 1 . . . . . 87 HIS HE1 . 51662 1 707 . 1 . 1 63 63 HIS C C 13 174.268 0.2 . 1 . . . . . 87 HIS C . 51662 1 708 . 1 . 1 63 63 HIS CA C 13 54.457 0.2 . 1 . . . . . 87 HIS CA . 51662 1 709 . 1 . 1 63 63 HIS CB C 13 28.262 0.2 . 1 . . . . . 87 HIS CB . 51662 1 710 . 1 . 1 63 63 HIS CD2 C 13 121.648 0.2 . 1 . . . . . 87 HIS CD2 . 51662 1 711 . 1 . 1 63 63 HIS CE1 C 13 137.047 0.2 . 1 . . . . . 87 HIS CE1 . 51662 1 712 . 1 . 1 63 63 HIS N N 15 120.494 0.2 . 1 . . . . . 87 HIS N . 51662 1 713 . 1 . 1 63 63 HIS NE2 N 15 175.670 0.2 . 1 . . . . . 87 HIS NE2 . 51662 1 714 . 1 . 1 64 64 THR H H 1 9.159 0.02 . 1 . . . . . 88 THR H . 51662 1 715 . 1 . 1 64 64 THR HA H 1 4.326 0.02 . 1 . . . . . 88 THR HA . 51662 1 716 . 1 . 1 64 64 THR HB H 1 3.460 0.02 . 1 . . . . . 88 THR HB . 51662 1 717 . 1 . 1 64 64 THR HG21 H 1 0.167 0.02 . 1 . . . . . 88 THR HG21 . 51662 1 718 . 1 . 1 64 64 THR HG22 H 1 0.167 0.02 . 1 . . . . . 88 THR HG22 . 51662 1 719 . 1 . 1 64 64 THR HG23 H 1 0.167 0.02 . 1 . . . . . 88 THR HG23 . 51662 1 720 . 1 . 1 64 64 THR C C 13 172.279 0.2 . 1 . . . . . 88 THR C . 51662 1 721 . 1 . 1 64 64 THR CA C 13 63.878 0.2 . 1 . . . . . 88 THR CA . 51662 1 722 . 1 . 1 64 64 THR CB C 13 68.295 0.2 . 1 . . . . . 88 THR CB . 51662 1 723 . 1 . 1 64 64 THR CG2 C 13 21.250 0.2 . 1 . . . . . 88 THR CG2 . 51662 1 724 . 1 . 1 64 64 THR N N 15 123.456 0.2 . 1 . . . . . 88 THR N . 51662 1 725 . 1 . 1 65 65 HIS H H 1 8.906 0.02 . 1 . . . . . 89 HIS H . 51662 1 726 . 1 . 1 65 65 HIS HA H 1 4.730 0.02 . 1 . . . . . 89 HIS HA . 51662 1 727 . 1 . 1 65 65 HIS HB2 H 1 2.097 0.02 . 2 . . . . . 89 HIS HB2 . 51662 1 728 . 1 . 1 65 65 HIS HB3 H 1 2.259 0.02 . 2 . . . . . 89 HIS HB3 . 51662 1 729 . 1 . 1 65 65 HIS HD2 H 1 6.711 0.02 . 1 . . . . . 89 HIS HD2 . 51662 1 730 . 1 . 1 65 65 HIS HE1 H 1 6.718 0.02 . 1 . . . . . 89 HIS HE1 . 51662 1 731 . 1 . 1 65 65 HIS C C 13 172.174 0.2 . 1 . . . . . 89 HIS C . 51662 1 732 . 1 . 1 65 65 HIS CA C 13 53.932 0.2 . 1 . . . . . 89 HIS CA . 51662 1 733 . 1 . 1 65 65 HIS CB C 13 30.427 0.2 . 1 . . . . . 89 HIS CB . 51662 1 734 . 1 . 1 65 65 HIS CD2 C 13 119.115 0.2 . 1 . . . . . 89 HIS CD2 . 51662 1 735 . 1 . 1 65 65 HIS CE1 C 13 133.954 0.2 . 1 . . . . . 89 HIS CE1 . 51662 1 736 . 1 . 1 65 65 HIS N N 15 124.489 0.2 . 1 . . . . . 89 HIS N . 51662 1 737 . 1 . 1 65 65 HIS NE2 N 15 176.420 0.2 . 1 . . . . . 89 HIS NE2 . 51662 1 738 . 1 . 1 66 66 TYR H H 1 8.995 0.02 . 1 . . . . . 90 TYR H . 51662 1 739 . 1 . 1 66 66 TYR HA H 1 4.526 0.02 . 1 . . . . . 90 TYR HA . 51662 1 740 . 1 . 1 66 66 TYR HB2 H 1 2.265 0.02 . 2 . . . . . 90 TYR HB2 . 51662 1 741 . 1 . 1 66 66 TYR HB3 H 1 2.836 0.02 . 2 . . . . . 90 TYR HB3 . 51662 1 742 . 1 . 1 66 66 TYR HD1 H 1 5.650 0.02 . 1 . . . . . 90 TYR HD1 . 51662 1 743 . 1 . 1 66 66 TYR HD2 H 1 5.650 0.02 . 1 . . . . . 90 TYR HD2 . 51662 1 744 . 1 . 1 66 66 TYR HE1 H 1 6.214 0.02 . 1 . . . . . 90 TYR HE1 . 51662 1 745 . 1 . 1 66 66 TYR HE2 H 1 6.214 0.02 . 1 . . . . . 90 TYR HE2 . 51662 1 746 . 1 . 1 66 66 TYR C C 13 174.606 0.2 . 1 . . . . . 90 TYR C . 51662 1 747 . 1 . 1 66 66 TYR CA C 13 57.155 0.2 . 1 . . . . . 90 TYR CA . 51662 1 748 . 1 . 1 66 66 TYR CB C 13 40.945 0.2 . 1 . . . . . 90 TYR CB . 51662 1 749 . 1 . 1 66 66 TYR CD1 C 13 133.848 0.2 . 1 . . . . . 90 TYR CD1 . 51662 1 750 . 1 . 1 66 66 TYR CD2 C 13 133.848 0.2 . 1 . . . . . 90 TYR CD2 . 51662 1 751 . 1 . 1 66 66 TYR CE1 C 13 117.236 0.2 . 1 . . . . . 90 TYR CE1 . 51662 1 752 . 1 . 1 66 66 TYR CE2 C 13 117.236 0.2 . 1 . . . . . 90 TYR CE2 . 51662 1 753 . 1 . 1 66 66 TYR N N 15 123.099 0.2 . 1 . . . . . 90 TYR N . 51662 1 754 . 1 . 1 67 67 PHE H H 1 8.915 0.02 . 1 . . . . . 91 PHE H . 51662 1 755 . 1 . 1 67 67 PHE HA H 1 4.958 0.02 . 1 . . . . . 91 PHE HA . 51662 1 756 . 1 . 1 67 67 PHE HB2 H 1 3.153 0.02 . 2 . . . . . 91 PHE HB2 . 51662 1 757 . 1 . 1 67 67 PHE HB3 H 1 3.493 0.02 . 2 . . . . . 91 PHE HB3 . 51662 1 758 . 1 . 1 67 67 PHE HD1 H 1 7.207 0.02 . 1 . . . . . 91 PHE HD1 . 51662 1 759 . 1 . 1 67 67 PHE HD2 H 1 7.207 0.02 . 1 . . . . . 91 PHE HD2 . 51662 1 760 . 1 . 1 67 67 PHE HE1 H 1 6.570 0.02 . 1 . . . . . 91 PHE HE1 . 51662 1 761 . 1 . 1 67 67 PHE HE2 H 1 6.570 0.02 . 1 . . . . . 91 PHE HE2 . 51662 1 762 . 1 . 1 67 67 PHE HZ H 1 6.103 0.02 . 1 . . . . . 91 PHE HZ . 51662 1 763 . 1 . 1 67 67 PHE C C 13 174.267 0.2 . 1 . . . . . 91 PHE C . 51662 1 764 . 1 . 1 67 67 PHE CA C 13 57.945 0.2 . 1 . . . . . 91 PHE CA . 51662 1 765 . 1 . 1 67 67 PHE CB C 13 39.704 0.2 . 1 . . . . . 91 PHE CB . 51662 1 766 . 1 . 1 67 67 PHE CD1 C 13 132.222 0.2 . 1 . . . . . 91 PHE CD1 . 51662 1 767 . 1 . 1 67 67 PHE CD2 C 13 132.222 0.2 . 1 . . . . . 91 PHE CD2 . 51662 1 768 . 1 . 1 67 67 PHE CE1 C 13 130.599 0.2 . 1 . . . . . 91 PHE CE1 . 51662 1 769 . 1 . 1 67 67 PHE CE2 C 13 130.599 0.2 . 1 . . . . . 91 PHE CE2 . 51662 1 770 . 1 . 1 67 67 PHE CZ C 13 127.651 0.2 . 1 . . . . . 91 PHE CZ . 51662 1 771 . 1 . 1 67 67 PHE N N 15 121.774 0.2 . 1 . . . . . 91 PHE N . 51662 1 772 . 1 . 1 68 68 TYR H H 1 8.956 0.02 . 1 . . . . . 92 TYR H . 51662 1 773 . 1 . 1 68 68 TYR HA H 1 4.964 0.02 . 1 . . . . . 92 TYR HA . 51662 1 774 . 1 . 1 68 68 TYR HB2 H 1 3.026 0.02 . 2 . . . . . 92 TYR HB2 . 51662 1 775 . 1 . 1 68 68 TYR HB3 H 1 3.426 0.02 . 2 . . . . . 92 TYR HB3 . 51662 1 776 . 1 . 1 68 68 TYR HH H 1 12.888 0.02 . 1 . . . . . 92 TYR HH . 51662 1 777 . 1 . 1 68 68 TYR C C 13 175.248 0.2 . 1 . . . . . 92 TYR C . 51662 1 778 . 1 . 1 68 68 TYR CA C 13 56.309 0.2 . 1 . . . . . 92 TYR CA . 51662 1 779 . 1 . 1 68 68 TYR CB C 13 37.844 0.2 . 1 . . . . . 92 TYR CB . 51662 1 780 . 1 . 1 68 68 TYR N N 15 122.598 0.2 . 1 . . . . . 92 TYR N . 51662 1 781 . 1 . 1 69 69 ASN H H 1 9.428 0.02 . 1 . . . . . 93 ASN H . 51662 1 782 . 1 . 1 69 69 ASN HA H 1 4.514 0.02 . 1 . . . . . 93 ASN HA . 51662 1 783 . 1 . 1 69 69 ASN HB2 H 1 2.915 0.02 . 2 . . . . . 93 ASN HB2 . 51662 1 784 . 1 . 1 69 69 ASN HB3 H 1 3.226 0.02 . 2 . . . . . 93 ASN HB3 . 51662 1 785 . 1 . 1 69 69 ASN HD21 H 1 7.817 0.02 . 1 . . . . . 93 ASN HD21 . 51662 1 786 . 1 . 1 69 69 ASN HD22 H 1 7.016 0.02 . 1 . . . . . 93 ASN HD22 . 51662 1 787 . 1 . 1 69 69 ASN C C 13 172.831 0.2 . 1 . . . . . 93 ASN C . 51662 1 788 . 1 . 1 69 69 ASN CA C 13 54.592 0.2 . 1 . . . . . 93 ASN CA . 51662 1 789 . 1 . 1 69 69 ASN CB C 13 37.615 0.2 . 1 . . . . . 93 ASN CB . 51662 1 790 . 1 . 1 69 69 ASN N N 15 119.985 0.2 . 1 . . . . . 93 ASN N . 51662 1 791 . 1 . 1 69 69 ASN ND2 N 15 113.450 0.2 . 1 . . . . . 93 ASN ND2 . 51662 1 792 . 1 . 1 70 70 CYS H H 1 7.517 0.02 . 1 . . . . . 94 CYS H . 51662 1 793 . 1 . 1 70 70 CYS HA H 1 4.781 0.02 . 1 . . . . . 94 CYS HA . 51662 1 794 . 1 . 1 70 70 CYS HB2 H 1 2.915 0.02 . 2 . . . . . 94 CYS HB2 . 51662 1 795 . 1 . 1 70 70 CYS HB3 H 1 3.553 0.02 . 2 . . . . . 94 CYS HB3 . 51662 1 796 . 1 . 1 70 70 CYS C C 13 170.884 0.2 . 1 . . . . . 94 CYS C . 51662 1 797 . 1 . 1 70 70 CYS CA C 13 56.295 0.2 . 1 . . . . . 94 CYS CA . 51662 1 798 . 1 . 1 70 70 CYS CB C 13 29.525 0.2 . 1 . . . . . 94 CYS CB . 51662 1 799 . 1 . 1 70 70 CYS N N 15 105.671 0.2 . 1 . . . . . 94 CYS N . 51662 1 800 . 1 . 1 71 71 TYR H H 1 7.989 0.02 . 1 . . . . . 95 TYR H . 51662 1 801 . 1 . 1 71 71 TYR HA H 1 4.277 0.02 . 1 . . . . . 95 TYR HA . 51662 1 802 . 1 . 1 71 71 TYR HB2 H 1 2.464 0.02 . 2 . . . . . 95 TYR HB2 . 51662 1 803 . 1 . 1 71 71 TYR HB3 H 1 2.634 0.02 . 2 . . . . . 95 TYR HB3 . 51662 1 804 . 1 . 1 71 71 TYR HD1 H 1 6.709 0.02 . 1 . . . . . 95 TYR HD1 . 51662 1 805 . 1 . 1 71 71 TYR HD2 H 1 6.709 0.02 . 1 . . . . . 95 TYR HD2 . 51662 1 806 . 1 . 1 71 71 TYR HE1 H 1 6.467 0.02 . 1 . . . . . 95 TYR HE1 . 51662 1 807 . 1 . 1 71 71 TYR HE2 H 1 6.467 0.02 . 1 . . . . . 95 TYR HE2 . 51662 1 808 . 1 . 1 71 71 TYR C C 13 172.154 0.2 . 1 . . . . . 95 TYR C . 51662 1 809 . 1 . 1 71 71 TYR CA C 13 55.693 0.2 . 1 . . . . . 95 TYR CA . 51662 1 810 . 1 . 1 71 71 TYR CB C 13 40.937 0.2 . 1 . . . . . 95 TYR CB . 51662 1 811 . 1 . 1 71 71 TYR CD1 C 13 133.129 0.2 . 1 . . . . . 95 TYR CD1 . 51662 1 812 . 1 . 1 71 71 TYR CD2 C 13 133.129 0.2 . 1 . . . . . 95 TYR CD2 . 51662 1 813 . 1 . 1 71 71 TYR CE1 C 13 117.982 0.2 . 1 . . . . . 95 TYR CE1 . 51662 1 814 . 1 . 1 71 71 TYR CE2 C 13 117.982 0.2 . 1 . . . . . 95 TYR CE2 . 51662 1 815 . 1 . 1 71 71 TYR N N 15 116.923 0.2 . 1 . . . . . 95 TYR N . 51662 1 816 . 1 . 1 72 72 PRO HA H 1 4.367 0.02 . 1 . . . . . 96 PRO HA . 51662 1 817 . 1 . 1 72 72 PRO HB2 H 1 1.539 0.02 . 2 . . . . . 96 PRO HB2 . 51662 1 818 . 1 . 1 72 72 PRO HB3 H 1 1.630 0.02 . 2 . . . . . 96 PRO HB3 . 51662 1 819 . 1 . 1 72 72 PRO HG2 H 1 0.860 0.02 . 2 . . . . . 96 PRO HG2 . 51662 1 820 . 1 . 1 72 72 PRO HG3 H 1 1.297 0.02 . 2 . . . . . 96 PRO HG3 . 51662 1 821 . 1 . 1 72 72 PRO HD2 H 1 2.210 0.02 . 2 . . . . . 96 PRO HD2 . 51662 1 822 . 1 . 1 72 72 PRO HD3 H 1 1.264 0.02 . 2 . . . . . 96 PRO HD3 . 51662 1 823 . 1 . 1 72 72 PRO C C 13 176.253 0.2 . 1 . . . . . 96 PRO C . 51662 1 824 . 1 . 1 72 72 PRO CA C 13 62.510 0.2 . 1 . . . . . 96 PRO CA . 51662 1 825 . 1 . 1 72 72 PRO CB C 13 31.857 0.2 . 1 . . . . . 96 PRO CB . 51662 1 826 . 1 . 1 72 72 PRO CG C 13 26.962 0.2 . 1 . . . . . 96 PRO CG . 51662 1 827 . 1 . 1 72 72 PRO CD C 13 48.721 0.2 . 1 . . . . . 96 PRO CD . 51662 1 828 . 1 . 1 73 73 LYS H H 1 8.175 0.02 . 1 . . . . . 97 LYS H . 51662 1 829 . 1 . 1 73 73 LYS HA H 1 4.243 0.02 . 1 . . . . . 97 LYS HA . 51662 1 830 . 1 . 1 73 73 LYS HB2 H 1 1.726 0.02 . 2 . . . . . 97 LYS HB2 . 51662 1 831 . 1 . 1 73 73 LYS HB3 H 1 1.675 0.02 . 2 . . . . . 97 LYS HB3 . 51662 1 832 . 1 . 1 73 73 LYS HG2 H 1 1.375 0.02 . 2 . . . . . 97 LYS HG2 . 51662 1 833 . 1 . 1 73 73 LYS HG3 H 1 1.463 0.02 . 2 . . . . . 97 LYS HG3 . 51662 1 834 . 1 . 1 73 73 LYS HD2 H 1 1.674 0.02 . 1 . . . . . 97 LYS HD2 . 51662 1 835 . 1 . 1 73 73 LYS HD3 H 1 1.674 0.02 . 1 . . . . . 97 LYS HD3 . 51662 1 836 . 1 . 1 73 73 LYS HE2 H 1 2.990 0.02 . 1 . . . . . 97 LYS HE2 . 51662 1 837 . 1 . 1 73 73 LYS HE3 H 1 2.990 0.02 . 1 . . . . . 97 LYS HE3 . 51662 1 838 . 1 . 1 73 73 LYS C C 13 175.881 0.2 . 1 . . . . . 97 LYS C . 51662 1 839 . 1 . 1 73 73 LYS CA C 13 56.176 0.2 . 1 . . . . . 97 LYS CA . 51662 1 840 . 1 . 1 73 73 LYS CB C 13 33.500 0.2 . 1 . . . . . 97 LYS CB . 51662 1 841 . 1 . 1 73 73 LYS CG C 13 24.781 0.2 . 1 . . . . . 97 LYS CG . 51662 1 842 . 1 . 1 73 73 LYS CD C 13 29.272 0.2 . 1 . . . . . 97 LYS CD . 51662 1 843 . 1 . 1 73 73 LYS CE C 13 42.231 0.2 . 1 . . . . . 97 LYS CE . 51662 1 844 . 1 . 1 73 73 LYS N N 15 122.246 0.2 . 1 . . . . . 97 LYS N . 51662 1 845 . 1 . 1 74 74 ASN H H 1 8.328 0.02 . 1 . . . . . 98 ASN H . 51662 1 846 . 1 . 1 74 74 ASN HA H 1 4.552 0.02 . 1 . . . . . 98 ASN HA . 51662 1 847 . 1 . 1 74 74 ASN HB2 H 1 2.746 0.02 . 2 . . . . . 98 ASN HB2 . 51662 1 848 . 1 . 1 74 74 ASN HB3 H 1 2.679 0.02 . 2 . . . . . 98 ASN HB3 . 51662 1 849 . 1 . 1 74 74 ASN C C 13 174.799 0.2 . 1 . . . . . 98 ASN C . 51662 1 850 . 1 . 1 74 74 ASN CA C 13 53.059 0.2 . 1 . . . . . 98 ASN CA . 51662 1 851 . 1 . 1 74 74 ASN CB C 13 38.682 0.2 . 1 . . . . . 98 ASN CB . 51662 1 852 . 1 . 1 74 74 ASN N N 15 119.169 0.2 . 1 . . . . . 98 ASN N . 51662 1 853 . 1 . 1 75 75 ALA H H 1 8.128 0.02 . 1 . . . . . 99 ALA H . 51662 1 854 . 1 . 1 75 75 ALA HA H 1 4.162 0.02 . 1 . . . . . 99 ALA HA . 51662 1 855 . 1 . 1 75 75 ALA HB1 H 1 1.144 0.02 . 1 . . . . . 99 ALA HB1 . 51662 1 856 . 1 . 1 75 75 ALA HB2 H 1 1.144 0.02 . 1 . . . . . 99 ALA HB2 . 51662 1 857 . 1 . 1 75 75 ALA HB3 H 1 1.144 0.02 . 1 . . . . . 99 ALA HB3 . 51662 1 858 . 1 . 1 75 75 ALA C C 13 177.163 0.2 . 1 . . . . . 99 ALA C . 51662 1 859 . 1 . 1 75 75 ALA CA C 13 52.756 0.2 . 1 . . . . . 99 ALA CA . 51662 1 860 . 1 . 1 75 75 ALA CB C 13 19.175 0.2 . 1 . . . . . 99 ALA CB . 51662 1 861 . 1 . 1 75 75 ALA N N 15 123.924 0.2 . 1 . . . . . 99 ALA N . 51662 1 862 . 1 . 1 76 76 ASN H H 1 8.189 0.02 . 1 . . . . . 100 ASN H . 51662 1 863 . 1 . 1 76 76 ASN HA H 1 4.578 0.02 . 1 . . . . . 100 ASN HA . 51662 1 864 . 1 . 1 76 76 ASN HB2 H 1 2.639 0.02 . 2 . . . . . 100 ASN HB2 . 51662 1 865 . 1 . 1 76 76 ASN HB3 H 1 2.756 0.02 . 2 . . . . . 100 ASN HB3 . 51662 1 866 . 1 . 1 76 76 ASN C C 13 175.043 0.2 . 1 . . . . . 100 ASN C . 51662 1 867 . 1 . 1 76 76 ASN CA C 13 53.080 0.2 . 1 . . . . . 100 ASN CA . 51662 1 868 . 1 . 1 76 76 ASN CB C 13 38.840 0.2 . 1 . . . . . 100 ASN CB . 51662 1 869 . 1 . 1 76 76 ASN N N 15 117.075 0.2 . 1 . . . . . 100 ASN N . 51662 1 870 . 1 . 1 77 77 ALA H H 1 8.058 0.02 . 1 . . . . . 101 ALA H . 51662 1 871 . 1 . 1 77 77 ALA HA H 1 4.212 0.02 . 1 . . . . . 101 ALA HA . 51662 1 872 . 1 . 1 77 77 ALA HB1 H 1 1.280 0.02 . 1 . . . . . 101 ALA HB1 . 51662 1 873 . 1 . 1 77 77 ALA HB2 H 1 1.280 0.02 . 1 . . . . . 101 ALA HB2 . 51662 1 874 . 1 . 1 77 77 ALA HB3 H 1 1.280 0.02 . 1 . . . . . 101 ALA HB3 . 51662 1 875 . 1 . 1 77 77 ALA C C 13 177.480 0.2 . 1 . . . . . 101 ALA C . 51662 1 876 . 1 . 1 77 77 ALA CA C 13 52.820 0.2 . 1 . . . . . 101 ALA CA . 51662 1 877 . 1 . 1 77 77 ALA CB C 13 19.119 0.2 . 1 . . . . . 101 ALA CB . 51662 1 878 . 1 . 1 77 77 ALA N N 15 124.157 0.2 . 1 . . . . . 101 ALA N . 51662 1 879 . 1 . 1 78 78 ASN H H 1 8.270 0.02 . 1 . . . . . 102 ASN H . 51662 1 880 . 1 . 1 78 78 ASN HA H 1 4.660 0.02 . 1 . . . . . 102 ASN HA . 51662 1 881 . 1 . 1 78 78 ASN HB2 H 1 2.791 0.02 . 2 . . . . . 102 ASN HB2 . 51662 1 882 . 1 . 1 78 78 ASN HB3 H 1 2.738 0.02 . 2 . . . . . 102 ASN HB3 . 51662 1 883 . 1 . 1 78 78 ASN C C 13 175.801 0.2 . 1 . . . . . 102 ASN C . 51662 1 884 . 1 . 1 78 78 ASN CA C 13 53.295 0.2 . 1 . . . . . 102 ASN CA . 51662 1 885 . 1 . 1 78 78 ASN CB C 13 38.926 0.2 . 1 . . . . . 102 ASN CB . 51662 1 886 . 1 . 1 78 78 ASN N N 15 117.228 0.2 . 1 . . . . . 102 ASN N . 51662 1 887 . 1 . 1 79 79 GLY H H 1 8.196 0.02 . 1 . . . . . 103 GLY H . 51662 1 888 . 1 . 1 79 79 GLY HA2 H 1 3.950 0.02 . 1 . . . . . 103 GLY HA2 . 51662 1 889 . 1 . 1 79 79 GLY HA3 H 1 3.950 0.02 . 1 . . . . . 103 GLY HA3 . 51662 1 890 . 1 . 1 79 79 GLY C C 13 174.331 0.2 . 1 . . . . . 103 GLY C . 51662 1 891 . 1 . 1 79 79 GLY CA C 13 45.620 0.2 . 1 . . . . . 103 GLY CA . 51662 1 892 . 1 . 1 79 79 GLY N N 15 109.245 0.2 . 1 . . . . . 103 GLY N . 51662 1 893 . 1 . 1 80 80 SER H H 1 8.164 0.02 . 1 . . . . . 104 SER H . 51662 1 894 . 1 . 1 80 80 SER HA H 1 4.425 0.02 . 1 . . . . . 104 SER HA . 51662 1 895 . 1 . 1 80 80 SER HB2 H 1 3.841 0.02 . 2 . . . . . 104 SER HB2 . 51662 1 896 . 1 . 1 80 80 SER HB3 H 1 3.876 0.02 . 2 . . . . . 104 SER HB3 . 51662 1 897 . 1 . 1 80 80 SER C C 13 175.144 0.2 . 1 . . . . . 104 SER C . 51662 1 898 . 1 . 1 80 80 SER CA C 13 58.659 0.2 . 1 . . . . . 104 SER CA . 51662 1 899 . 1 . 1 80 80 SER CB C 13 64.003 0.2 . 1 . . . . . 104 SER CB . 51662 1 900 . 1 . 1 80 80 SER N N 15 115.457 0.2 . 1 . . . . . 104 SER N . 51662 1 901 . 1 . 1 81 81 GLY H H 1 8.403 0.02 . 1 . . . . . 105 GLY H . 51662 1 902 . 1 . 1 81 81 GLY HA2 H 1 3.942 0.02 . 1 . . . . . 105 GLY HA2 . 51662 1 903 . 1 . 1 81 81 GLY HA3 H 1 3.942 0.02 . 1 . . . . . 105 GLY HA3 . 51662 1 904 . 1 . 1 81 81 GLY C C 13 173.971 0.2 . 1 . . . . . 105 GLY C . 51662 1 905 . 1 . 1 81 81 GLY CA C 13 45.495 0.2 . 1 . . . . . 105 GLY CA . 51662 1 906 . 1 . 1 81 81 GLY N N 15 110.700 0.2 . 1 . . . . . 105 GLY N . 51662 1 907 . 1 . 1 82 82 GLN H H 1 8.091 0.02 . 1 . . . . . 106 GLN H . 51662 1 908 . 1 . 1 82 82 GLN HA H 1 4.386 0.02 . 1 . . . . . 106 GLN HA . 51662 1 909 . 1 . 1 82 82 GLN HB2 H 1 1.941 0.02 . 2 . . . . . 106 GLN HB2 . 51662 1 910 . 1 . 1 82 82 GLN HB3 H 1 2.106 0.02 . 2 . . . . . 106 GLN HB3 . 51662 1 911 . 1 . 1 82 82 GLN HG2 H 1 2.328 0.02 . 2 . . . . . 106 GLN HG2 . 51662 1 912 . 1 . 1 82 82 GLN HG3 H 1 2.251 0.02 . 2 . . . . . 106 GLN HG3 . 51662 1 913 . 1 . 1 82 82 GLN C C 13 175.881 0.2 . 1 . . . . . 106 GLN C . 51662 1 914 . 1 . 1 82 82 GLN CA C 13 55.808 0.2 . 1 . . . . . 106 GLN CA . 51662 1 915 . 1 . 1 82 82 GLN CB C 13 29.627 0.2 . 1 . . . . . 106 GLN CB . 51662 1 916 . 1 . 1 82 82 GLN CG C 13 33.851 0.2 . 1 . . . . . 106 GLN CG . 51662 1 917 . 1 . 1 82 82 GLN N N 15 119.730 0.2 . 1 . . . . . 106 GLN N . 51662 1 918 . 1 . 1 83 83 THR H H 1 8.071 0.02 . 1 . . . . . 107 THR H . 51662 1 919 . 1 . 1 83 83 THR HA H 1 4.258 0.02 . 1 . . . . . 107 THR HA . 51662 1 920 . 1 . 1 83 83 THR C C 13 173.872 0.2 . 1 . . . . . 107 THR C . 51662 1 921 . 1 . 1 83 83 THR CA C 13 62.009 0.2 . 1 . . . . . 107 THR CA . 51662 1 922 . 1 . 1 83 83 THR CB C 13 69.833 0.2 . 1 . . . . . 107 THR CB . 51662 1 923 . 1 . 1 83 83 THR N N 15 115.583 0.2 . 1 . . . . . 107 THR N . 51662 1 924 . 1 . 1 84 84 TYR H H 1 8.113 0.02 . 1 . . . . . 108 TYR H . 51662 1 925 . 1 . 1 84 84 TYR HA H 1 4.548 0.02 . 1 . . . . . 108 TYR HA . 51662 1 926 . 1 . 1 84 84 TYR C C 13 175.063 0.2 . 1 . . . . . 108 TYR C . 51662 1 927 . 1 . 1 84 84 TYR CA C 13 57.896 0.2 . 1 . . . . . 108 TYR CA . 51662 1 928 . 1 . 1 84 84 TYR CB C 13 39.065 0.2 . 1 . . . . . 108 TYR CB . 51662 1 929 . 1 . 1 84 84 TYR N N 15 122.966 0.2 . 1 . . . . . 108 TYR N . 51662 1 930 . 1 . 1 85 85 VAL H H 1 7.823 0.02 . 1 . . . . . 109 VAL H . 51662 1 931 . 1 . 1 85 85 VAL HA H 1 3.965 0.02 . 1 . . . . . 109 VAL HA . 51662 1 932 . 1 . 1 85 85 VAL C C 13 174.808 0.2 . 1 . . . . . 109 VAL C . 51662 1 933 . 1 . 1 85 85 VAL CA C 13 61.644 0.2 . 1 . . . . . 109 VAL CA . 51662 1 934 . 1 . 1 85 85 VAL CB C 13 33.153 0.2 . 1 . . . . . 109 VAL CB . 51662 1 935 . 1 . 1 85 85 VAL N N 15 122.937 0.2 . 1 . . . . . 109 VAL N . 51662 1 936 . 1 . 1 86 86 ASN H H 1 8.335 0.02 . 1 . . . . . 110 ASN H . 51662 1 937 . 1 . 1 86 86 ASN HA H 1 4.824 0.02 . 1 . . . . . 110 ASN HA . 51662 1 938 . 1 . 1 86 86 ASN C C 13 173.720 0.2 . 1 . . . . . 110 ASN C . 51662 1 939 . 1 . 1 86 86 ASN CA C 13 51.145 0.2 . 1 . . . . . 110 ASN CA . 51662 1 940 . 1 . 1 86 86 ASN CB C 13 38.966 0.2 . 1 . . . . . 110 ASN CB . 51662 1 941 . 1 . 1 86 86 ASN N N 15 123.945 0.2 . 1 . . . . . 110 ASN N . 51662 1 942 . 1 . 1 87 87 PRO HA H 1 4.335 0.02 . 1 . . . . . 111 PRO HA . 51662 1 943 . 1 . 1 87 87 PRO C C 13 176.865 0.2 . 1 . . . . . 111 PRO C . 51662 1 944 . 1 . 1 87 87 PRO CA C 13 63.686 0.2 . 1 . . . . . 111 PRO CA . 51662 1 945 . 1 . 1 87 87 PRO CB C 13 32.139 0.2 . 1 . . . . . 111 PRO CB . 51662 1 946 . 1 . 1 87 87 PRO N N 15 137.312 0.2 . 1 . . . . . 111 PRO N . 51662 1 947 . 1 . 1 88 88 ALA H H 1 8.145 0.02 . 1 . . . . . 112 ALA H . 51662 1 948 . 1 . 1 88 88 ALA HA H 1 4.297 0.02 . 1 . . . . . 112 ALA HA . 51662 1 949 . 1 . 1 88 88 ALA C C 13 178.178 0.2 . 1 . . . . . 112 ALA C . 51662 1 950 . 1 . 1 88 88 ALA CA C 13 52.926 0.2 . 1 . . . . . 112 ALA CA . 51662 1 951 . 1 . 1 88 88 ALA CB C 13 19.107 0.2 . 1 . . . . . 112 ALA CB . 51662 1 952 . 1 . 1 88 88 ALA N N 15 122.439 0.2 . 1 . . . . . 112 ALA N . 51662 1 953 . 1 . 1 89 89 THR H H 1 7.833 0.02 . 1 . . . . . 113 THR H . 51662 1 954 . 1 . 1 89 89 THR HA H 1 4.309 0.02 . 1 . . . . . 113 THR HA . 51662 1 955 . 1 . 1 89 89 THR C C 13 174.392 0.2 . 1 . . . . . 113 THR C . 51662 1 956 . 1 . 1 89 89 THR CA C 13 61.560 0.2 . 1 . . . . . 113 THR CA . 51662 1 957 . 1 . 1 89 89 THR CB C 13 69.783 0.2 . 1 . . . . . 113 THR CB . 51662 1 958 . 1 . 1 89 89 THR N N 15 111.592 0.2 . 1 . . . . . 113 THR N . 51662 1 959 . 1 . 1 90 90 ALA H H 1 8.036 0.02 . 1 . . . . . 114 ALA H . 51662 1 960 . 1 . 1 90 90 ALA HA H 1 4.303 0.02 . 1 . . . . . 114 ALA HA . 51662 1 961 . 1 . 1 90 90 ALA C C 13 178.007 0.2 . 1 . . . . . 114 ALA C . 51662 1 962 . 1 . 1 90 90 ALA CA C 13 52.896 0.2 . 1 . . . . . 114 ALA CA . 51662 1 963 . 1 . 1 90 90 ALA CB C 13 19.362 0.2 . 1 . . . . . 114 ALA CB . 51662 1 964 . 1 . 1 90 90 ALA N N 15 125.846 0.2 . 1 . . . . . 114 ALA N . 51662 1 965 . 1 . 1 91 91 GLY H H 1 8.193 0.02 . 1 . . . . . 115 GLY H . 51662 1 966 . 1 . 1 91 91 GLY HA2 H 1 3.924 0.02 . 1 . . . . . 115 GLY HA2 . 51662 1 967 . 1 . 1 91 91 GLY HA3 H 1 3.924 0.02 . 1 . . . . . 115 GLY HA3 . 51662 1 968 . 1 . 1 91 91 GLY C C 13 173.824 0.2 . 1 . . . . . 115 GLY C . 51662 1 969 . 1 . 1 91 91 GLY CA C 13 45.324 0.2 . 1 . . . . . 115 GLY CA . 51662 1 970 . 1 . 1 91 91 GLY N N 15 107.865 0.2 . 1 . . . . . 115 GLY N . 51662 1 971 . 1 . 1 92 92 ASP H H 1 8.118 0.02 . 1 . . . . . 116 ASP H . 51662 1 972 . 1 . 1 92 92 ASP HA H 1 4.576 0.02 . 1 . . . . . 116 ASP HA . 51662 1 973 . 1 . 1 92 92 ASP C C 13 176.081 0.2 . 1 . . . . . 116 ASP C . 51662 1 974 . 1 . 1 92 92 ASP CA C 13 54.306 0.2 . 1 . . . . . 116 ASP CA . 51662 1 975 . 1 . 1 92 92 ASP CB C 13 41.353 0.2 . 1 . . . . . 116 ASP CB . 51662 1 976 . 1 . 1 92 92 ASP N N 15 120.186 0.2 . 1 . . . . . 116 ASP N . 51662 1 977 . 1 . 1 93 93 ASN H H 1 8.333 0.02 . 1 . . . . . 117 ASN H . 51662 1 978 . 1 . 1 93 93 ASN HA H 1 4.677 0.02 . 1 . . . . . 117 ASN HA . 51662 1 979 . 1 . 1 93 93 ASN C C 13 175.042 0.2 . 1 . . . . . 117 ASN C . 51662 1 980 . 1 . 1 93 93 ASN CA C 13 53.397 0.2 . 1 . . . . . 117 ASN CA . 51662 1 981 . 1 . 1 93 93 ASN CB C 13 38.906 0.2 . 1 . . . . . 117 ASN CB . 51662 1 982 . 1 . 1 93 93 ASN N N 15 118.840 0.2 . 1 . . . . . 117 ASN N . 51662 1 983 . 1 . 1 94 94 ASN H H 1 8.330 0.02 . 1 . . . . . 118 ASN H . 51662 1 984 . 1 . 1 94 94 ASN HA H 1 4.623 0.02 . 1 . . . . . 118 ASN HA . 51662 1 985 . 1 . 1 94 94 ASN C C 13 174.750 0.2 . 1 . . . . . 118 ASN C . 51662 1 986 . 1 . 1 94 94 ASN CA C 13 53.568 0.2 . 1 . . . . . 118 ASN CA . 51662 1 987 . 1 . 1 94 94 ASN CB C 13 39.015 0.2 . 1 . . . . . 118 ASN CB . 51662 1 988 . 1 . 1 94 94 ASN N N 15 119.042 0.2 . 1 . . . . . 118 ASN N . 51662 1 989 . 1 . 1 95 95 ASP H H 1 8.176 0.02 . 1 . . . . . 119 ASP H . 51662 1 990 . 1 . 1 95 95 ASP HA H 1 4.539 0.02 . 1 . . . . . 119 ASP HA . 51662 1 991 . 1 . 1 95 95 ASP C C 13 176.399 0.2 . 1 . . . . . 119 ASP C . 51662 1 992 . 1 . 1 95 95 ASP CA C 13 54.427 0.2 . 1 . . . . . 119 ASP CA . 51662 1 993 . 1 . 1 95 95 ASP CB C 13 40.999 0.2 . 1 . . . . . 119 ASP CB . 51662 1 994 . 1 . 1 95 95 ASP N N 15 120.161 0.2 . 1 . . . . . 119 ASP N . 51662 1 995 . 1 . 1 96 96 TYR H H 1 8.124 0.02 . 1 . . . . . 120 TYR H . 51662 1 996 . 1 . 1 96 96 TYR HA H 1 4.523 0.02 . 1 . . . . . 120 TYR HA . 51662 1 997 . 1 . 1 96 96 TYR C C 13 176.506 0.2 . 1 . . . . . 120 TYR C . 51662 1 998 . 1 . 1 96 96 TYR CA C 13 58.633 0.2 . 1 . . . . . 120 TYR CA . 51662 1 999 . 1 . 1 96 96 TYR CB C 13 38.338 0.2 . 1 . . . . . 120 TYR CB . 51662 1 1000 . 1 . 1 96 96 TYR N N 15 121.159 0.2 . 1 . . . . . 120 TYR N . 51662 1 1001 . 1 . 1 97 97 THR H H 1 8.002 0.02 . 1 . . . . . 121 THR H . 51662 1 1002 . 1 . 1 97 97 THR HA H 1 4.152 0.02 . 1 . . . . . 121 THR HA . 51662 1 1003 . 1 . 1 97 97 THR C C 13 174.823 0.2 . 1 . . . . . 121 THR C . 51662 1 1004 . 1 . 1 97 97 THR CA C 13 62.745 0.2 . 1 . . . . . 121 THR CA . 51662 1 1005 . 1 . 1 97 97 THR CB C 13 69.703 0.2 . 1 . . . . . 121 THR CB . 51662 1 1006 . 1 . 1 97 97 THR N N 15 115.200 0.2 . 1 . . . . . 121 THR N . 51662 1 1007 . 1 . 1 98 98 ALA H H 1 8.048 0.02 . 1 . . . . . 122 ALA H . 51662 1 1008 . 1 . 1 98 98 ALA HA H 1 4.265 0.02 . 1 . . . . . 122 ALA HA . 51662 1 1009 . 1 . 1 98 98 ALA C C 13 178.159 0.2 . 1 . . . . . 122 ALA C . 51662 1 1010 . 1 . 1 98 98 ALA CA C 13 53.027 0.2 . 1 . . . . . 122 ALA CA . 51662 1 1011 . 1 . 1 98 98 ALA CB C 13 18.921 0.2 . 1 . . . . . 122 ALA CB . 51662 1 1012 . 1 . 1 98 98 ALA N N 15 125.713 0.2 . 1 . . . . . 122 ALA N . 51662 1 1013 . 1 . 1 99 99 SER H H 1 8.061 0.02 . 1 . . . . . 123 SER H . 51662 1 1014 . 1 . 1 99 99 SER HA H 1 4.354 0.02 . 1 . . . . . 123 SER HA . 51662 1 1015 . 1 . 1 99 99 SER C C 13 175.095 0.2 . 1 . . . . . 123 SER C . 51662 1 1016 . 1 . 1 99 99 SER CA C 13 58.941 0.2 . 1 . . . . . 123 SER CA . 51662 1 1017 . 1 . 1 99 99 SER CB C 13 63.713 0.2 . 1 . . . . . 123 SER CB . 51662 1 1018 . 1 . 1 99 99 SER N N 15 114.160 0.2 . 1 . . . . . 123 SER N . 51662 1 1019 . 1 . 1 100 100 GLN H H 1 8.193 0.02 . 1 . . . . . 124 GLN H . 51662 1 1020 . 1 . 1 100 100 GLN HA H 1 4.314 0.02 . 1 . . . . . 124 GLN HA . 51662 1 1021 . 1 . 1 100 100 GLN C C 13 176.356 0.2 . 1 . . . . . 124 GLN C . 51662 1 1022 . 1 . 1 100 100 GLN CA C 13 56.604 0.2 . 1 . . . . . 124 GLN CA . 51662 1 1023 . 1 . 1 100 100 GLN CB C 13 29.362 0.2 . 1 . . . . . 124 GLN CB . 51662 1 1024 . 1 . 1 100 100 GLN N N 15 121.533 0.2 . 1 . . . . . 124 GLN N . 51662 1 1025 . 1 . 1 101 101 SER H H 1 8.150 0.02 . 1 . . . . . 125 SER H . 51662 1 1026 . 1 . 1 101 101 SER HA H 1 4.382 0.02 . 1 . . . . . 125 SER HA . 51662 1 1027 . 1 . 1 101 101 SER C C 13 174.809 0.2 . 1 . . . . . 125 SER C . 51662 1 1028 . 1 . 1 101 101 SER CA C 13 58.897 0.2 . 1 . . . . . 125 SER CA . 51662 1 1029 . 1 . 1 101 101 SER CB C 13 63.744 0.2 . 1 . . . . . 125 SER CB . 51662 1 1030 . 1 . 1 101 101 SER N N 15 115.844 0.2 . 1 . . . . . 125 SER N . 51662 1 1031 . 1 . 1 102 102 GLN H H 1 8.228 0.02 . 1 . . . . . 126 GLN H . 51662 1 1032 . 1 . 1 102 102 GLN HA H 1 4.274 0.02 . 1 . . . . . 126 GLN HA . 51662 1 1033 . 1 . 1 102 102 GLN C C 13 176.028 0.2 . 1 . . . . . 126 GLN C . 51662 1 1034 . 1 . 1 102 102 GLN CA C 13 56.190 0.2 . 1 . . . . . 126 GLN CA . 51662 1 1035 . 1 . 1 102 102 GLN CB C 13 29.227 0.2 . 1 . . . . . 126 GLN CB . 51662 1 1036 . 1 . 1 102 102 GLN N N 15 121.560 0.2 . 1 . . . . . 126 GLN N . 51662 1 1037 . 1 . 1 103 103 GLN H H 1 8.163 0.02 . 1 . . . . . 127 GLN H . 51662 1 1038 . 1 . 1 103 103 GLN HA H 1 4.213 0.02 . 1 . . . . . 127 GLN HA . 51662 1 1039 . 1 . 1 103 103 GLN C C 13 175.835 0.2 . 1 . . . . . 127 GLN C . 51662 1 1040 . 1 . 1 103 103 GLN CA C 13 56.331 0.2 . 1 . . . . . 127 GLN CA . 51662 1 1041 . 1 . 1 103 103 GLN CB C 13 29.309 0.2 . 1 . . . . . 127 GLN CB . 51662 1 1042 . 1 . 1 103 103 GLN N N 15 120.070 0.2 . 1 . . . . . 127 GLN N . 51662 1 1043 . 1 . 1 104 104 HIS C C 13 175.197 0.2 . 1 . . . . . 128 HIS C . 51662 1 1044 . 1 . 1 104 104 HIS CA C 13 56.468 0.2 . 1 . . . . . 128 HIS CA . 51662 1 1045 . 1 . 1 104 104 HIS CB C 13 30.416 0.2 . 1 . . . . . 128 HIS CB . 51662 1 1046 . 1 . 1 104 104 HIS N N 15 119.991 0.2 . 1 . . . . . 128 HIS N . 51662 1 1047 . 1 . 1 105 105 ILE H H 1 7.873 0.02 . 1 . . . . . 129 ILE H . 51662 1 1048 . 1 . 1 105 105 ILE HA H 1 4.051 0.02 . 1 . . . . . 129 ILE HA . 51662 1 1049 . 1 . 1 105 105 ILE C C 13 175.951 0.2 . 1 . . . . . 129 ILE C . 51662 1 1050 . 1 . 1 105 105 ILE CA C 13 61.413 0.2 . 1 . . . . . 129 ILE CA . 51662 1 1051 . 1 . 1 105 105 ILE CB C 13 38.805 0.2 . 1 . . . . . 129 ILE CB . 51662 1 1052 . 1 . 1 105 105 ILE N N 15 121.206 0.2 . 1 . . . . . 129 ILE N . 51662 1 1053 . 1 . 1 106 106 ASN H H 1 8.391 0.02 . 1 . . . . . 130 ASN H . 51662 1 1054 . 1 . 1 106 106 ASN HA H 1 4.616 0.02 . 1 . . . . . 130 ASN HA . 51662 1 1055 . 1 . 1 106 106 ASN C C 13 175.250 0.2 . 1 . . . . . 130 ASN C . 51662 1 1056 . 1 . 1 106 106 ASN CA C 13 53.511 0.2 . 1 . . . . . 130 ASN CA . 51662 1 1057 . 1 . 1 106 106 ASN CB C 13 38.941 0.2 . 1 . . . . . 130 ASN CB . 51662 1 1058 . 1 . 1 106 106 ASN N N 15 121.871 0.2 . 1 . . . . . 130 ASN N . 51662 1 1059 . 1 . 1 107 107 GLN H H 1 8.178 0.02 . 1 . . . . . 131 GLN H . 51662 1 1060 . 1 . 1 107 107 GLN HA H 1 4.177 0.02 . 1 . . . . . 131 GLN HA . 51662 1 1061 . 1 . 1 107 107 GLN C C 13 175.679 0.2 . 1 . . . . . 131 GLN C . 51662 1 1062 . 1 . 1 107 107 GLN CA C 13 56.445 0.2 . 1 . . . . . 131 GLN CA . 51662 1 1063 . 1 . 1 107 107 GLN CB C 13 29.365 0.2 . 1 . . . . . 131 GLN CB . 51662 1 1064 . 1 . 1 107 107 GLN N N 15 120.225 0.2 . 1 . . . . . 131 GLN N . 51662 1 1065 . 1 . 1 108 108 TYR H H 1 8.080 0.02 . 1 . . . . . 132 TYR H . 51662 1 1066 . 1 . 1 108 108 TYR HA H 1 4.514 0.02 . 1 . . . . . 132 TYR HA . 51662 1 1067 . 1 . 1 108 108 TYR C C 13 176.328 0.2 . 1 . . . . . 132 TYR C . 51662 1 1068 . 1 . 1 108 108 TYR CA C 13 58.104 0.2 . 1 . . . . . 132 TYR CA . 51662 1 1069 . 1 . 1 108 108 TYR CB C 13 38.593 0.2 . 1 . . . . . 132 TYR CB . 51662 1 1070 . 1 . 1 108 108 TYR N N 15 119.979 0.2 . 1 . . . . . 132 TYR N . 51662 1 1071 . 1 . 1 109 109 GLY H H 1 8.081 0.02 . 1 . . . . . 133 GLY H . 51662 1 1072 . 1 . 1 109 109 GLY HA2 H 1 3.884 0.02 . 2 . . . . . 133 GLY HA2 . 51662 1 1073 . 1 . 1 109 109 GLY HA3 H 1 3.777 0.02 . 2 . . . . . 133 GLY HA3 . 51662 1 1074 . 1 . 1 109 109 GLY C C 13 173.840 0.2 . 1 . . . . . 133 GLY C . 51662 1 1075 . 1 . 1 109 109 GLY CA C 13 45.311 0.2 . 1 . . . . . 133 GLY CA . 51662 1 1076 . 1 . 1 109 109 GLY N N 15 109.696 0.2 . 1 . . . . . 133 GLY N . 51662 1 1077 . 1 . 1 110 110 TYR H H 1 7.856 0.02 . 1 . . . . . 134 TYR H . 51662 1 1078 . 1 . 1 110 110 TYR HA H 1 4.500 0.02 . 1 . . . . . 134 TYR HA . 51662 1 1079 . 1 . 1 110 110 TYR C C 13 175.716 0.2 . 1 . . . . . 134 TYR C . 51662 1 1080 . 1 . 1 110 110 TYR CA C 13 58.152 0.2 . 1 . . . . . 134 TYR CA . 51662 1 1081 . 1 . 1 110 110 TYR CB C 13 38.815 0.2 . 1 . . . . . 134 TYR CB . 51662 1 1082 . 1 . 1 110 110 TYR N N 15 119.790 0.2 . 1 . . . . . 134 TYR N . 51662 1 1083 . 1 . 1 111 111 GLN H H 1 8.186 0.02 . 1 . . . . . 135 GLN H . 51662 1 1084 . 1 . 1 111 111 GLN HA H 1 4.295 0.02 . 1 . . . . . 135 GLN HA . 51662 1 1085 . 1 . 1 111 111 GLN C C 13 175.452 0.2 . 1 . . . . . 135 GLN C . 51662 1 1086 . 1 . 1 111 111 GLN CA C 13 55.743 0.2 . 1 . . . . . 135 GLN CA . 51662 1 1087 . 1 . 1 111 111 GLN CB C 13 29.551 0.2 . 1 . . . . . 135 GLN CB . 51662 1 1088 . 1 . 1 111 111 GLN N N 15 122.078 0.2 . 1 . . . . . 135 GLN N . 51662 1 1089 . 1 . 1 112 112 SER H H 1 8.169 0.02 . 1 . . . . . 136 SER H . 51662 1 1090 . 1 . 1 112 112 SER HA H 1 4.366 0.02 . 1 . . . . . 136 SER HA . 51662 1 1091 . 1 . 1 112 112 SER C C 13 174.231 0.2 . 1 . . . . . 136 SER C . 51662 1 1092 . 1 . 1 112 112 SER CA C 13 58.453 0.2 . 1 . . . . . 136 SER CA . 51662 1 1093 . 1 . 1 112 112 SER CB C 13 63.890 0.2 . 1 . . . . . 136 SER CB . 51662 1 1094 . 1 . 1 112 112 SER N N 15 116.679 0.2 . 1 . . . . . 136 SER N . 51662 1 1095 . 1 . 1 113 113 ASN H H 1 8.392 0.02 . 1 . . . . . 137 ASN H . 51662 1 1096 . 1 . 1 113 113 ASN HA H 1 4.718 0.02 . 1 . . . . . 137 ASN HA . 51662 1 1097 . 1 . 1 113 113 ASN C C 13 174.850 0.2 . 1 . . . . . 137 ASN C . 51662 1 1098 . 1 . 1 113 113 ASN CA C 13 53.417 0.2 . 1 . . . . . 137 ASN CA . 51662 1 1099 . 1 . 1 113 113 ASN CB C 13 38.808 0.2 . 1 . . . . . 137 ASN CB . 51662 1 1100 . 1 . 1 113 113 ASN N N 15 120.526 0.2 . 1 . . . . . 137 ASN N . 51662 1 1101 . 1 . 1 114 114 VAL H H 1 7.908 0.02 . 1 . . . . . 138 VAL H . 51662 1 1102 . 1 . 1 114 114 VAL HA H 1 4.165 0.02 . 1 . . . . . 138 VAL HA . 51662 1 1103 . 1 . 1 114 114 VAL C C 13 176.041 0.2 . 1 . . . . . 138 VAL C . 51662 1 1104 . 1 . 1 114 114 VAL CA C 13 62.121 0.2 . 1 . . . . . 138 VAL CA . 51662 1 1105 . 1 . 1 114 114 VAL CB C 13 32.932 0.2 . 1 . . . . . 138 VAL CB . 51662 1 1106 . 1 . 1 114 114 VAL N N 15 118.736 0.2 . 1 . . . . . 138 VAL N . 51662 1 1107 . 1 . 1 115 115 GLY H H 1 8.148 0.02 . 1 . . . . . 139 GLY H . 51662 1 1108 . 1 . 1 115 115 GLY HA2 H 1 4.088 0.02 . 2 . . . . . 139 GLY HA2 . 51662 1 1109 . 1 . 1 115 115 GLY HA3 H 1 4.010 0.02 . 2 . . . . . 139 GLY HA3 . 51662 1 1110 . 1 . 1 115 115 GLY C C 13 172.108 0.2 . 1 . . . . . 139 GLY C . 51662 1 1111 . 1 . 1 115 115 GLY CA C 13 44.574 0.2 . 1 . . . . . 139 GLY CA . 51662 1 1112 . 1 . 1 115 115 GLY N N 15 111.943 0.2 . 1 . . . . . 139 GLY N . 51662 1 1113 . 1 . 1 116 116 PRO HA H 1 4.335 0.02 . 1 . . . . . 140 PRO HA . 51662 1 1114 . 1 . 1 116 116 PRO C C 13 176.868 0.2 . 1 . . . . . 140 PRO C . 51662 1 1115 . 1 . 1 116 116 PRO CA C 13 63.631 0.2 . 1 . . . . . 140 PRO CA . 51662 1 1116 . 1 . 1 116 116 PRO CB C 13 32.101 0.2 . 1 . . . . . 140 PRO CB . 51662 1 1117 . 1 . 1 116 116 PRO N N 15 133.763 0.2 . 1 . . . . . 140 PRO N . 51662 1 1118 . 1 . 1 117 117 ASP H H 1 8.230 0.02 . 1 . . . . . 141 ASP H . 51662 1 1119 . 1 . 1 117 117 ASP HA H 1 4.540 0.02 . 1 . . . . . 141 ASP HA . 51662 1 1120 . 1 . 1 117 117 ASP C C 13 176.178 0.2 . 1 . . . . . 141 ASP C . 51662 1 1121 . 1 . 1 117 117 ASP CA C 13 54.337 0.2 . 1 . . . . . 141 ASP CA . 51662 1 1122 . 1 . 1 117 117 ASP CB C 13 41.221 0.2 . 1 . . . . . 141 ASP CB . 51662 1 1123 . 1 . 1 117 117 ASP N N 15 119.398 0.2 . 1 . . . . . 141 ASP N . 51662 1 1124 . 1 . 1 118 118 ALA H H 1 8.055 0.02 . 1 . . . . . 142 ALA H . 51662 1 1125 . 1 . 1 118 118 ALA HA H 1 4.206 0.02 . 1 . . . . . 142 ALA HA . 51662 1 1126 . 1 . 1 118 118 ALA C C 13 178.134 0.2 . 1 . . . . . 142 ALA C . 51662 1 1127 . 1 . 1 118 118 ALA CA C 13 53.158 0.2 . 1 . . . . . 142 ALA CA . 51662 1 1128 . 1 . 1 118 118 ALA CB C 13 19.083 0.2 . 1 . . . . . 142 ALA CB . 51662 1 1129 . 1 . 1 118 118 ALA N N 15 123.975 0.2 . 1 . . . . . 142 ALA N . 51662 1 1130 . 1 . 1 119 119 SER H H 1 8.195 0.02 . 1 . . . . . 143 SER H . 51662 1 1131 . 1 . 1 119 119 SER HA H 1 4.298 0.02 . 1 . . . . . 143 SER HA . 51662 1 1132 . 1 . 1 119 119 SER C C 13 174.570 0.2 . 1 . . . . . 143 SER C . 51662 1 1133 . 1 . 1 119 119 SER CA C 13 59.235 0.2 . 1 . . . . . 143 SER CA . 51662 1 1134 . 1 . 1 119 119 SER CB C 13 63.642 0.2 . 1 . . . . . 143 SER CB . 51662 1 1135 . 1 . 1 119 119 SER N N 15 114.365 0.2 . 1 . . . . . 143 SER N . 51662 1 1136 . 1 . 1 120 120 TYR H H 1 7.840 0.02 . 1 . . . . . 144 TYR H . 51662 1 1137 . 1 . 1 120 120 TYR HA H 1 4.383 0.02 . 1 . . . . . 144 TYR HA . 51662 1 1138 . 1 . 1 120 120 TYR C C 13 175.611 0.2 . 1 . . . . . 144 TYR C . 51662 1 1139 . 1 . 1 120 120 TYR CA C 13 58.544 0.2 . 1 . . . . . 144 TYR CA . 51662 1 1140 . 1 . 1 120 120 TYR CB C 13 38.762 0.2 . 1 . . . . . 144 TYR CB . 51662 1 1141 . 1 . 1 120 120 TYR N N 15 121.510 0.2 . 1 . . . . . 144 TYR N . 51662 1 1142 . 1 . 1 121 121 TYR H H 1 7.745 0.02 . 1 . . . . . 145 TYR H . 51662 1 1143 . 1 . 1 121 121 TYR HA H 1 4.461 0.02 . 1 . . . . . 145 TYR HA . 51662 1 1144 . 1 . 1 121 121 TYR C C 13 175.621 0.2 . 1 . . . . . 145 TYR C . 51662 1 1145 . 1 . 1 121 121 TYR CA C 13 57.985 0.2 . 1 . . . . . 145 TYR CA . 51662 1 1146 . 1 . 1 121 121 TYR CB C 13 38.770 0.2 . 1 . . . . . 145 TYR CB . 51662 1 1147 . 1 . 1 121 121 TYR N N 15 120.078 0.2 . 1 . . . . . 145 TYR N . 51662 1 1148 . 1 . 1 122 122 SER H H 1 7.924 0.02 . 1 . . . . . 146 SER H . 51662 1 1149 . 1 . 1 122 122 SER HA H 1 4.281 0.02 . 1 . . . . . 146 SER HA . 51662 1 1150 . 1 . 1 122 122 SER C C 13 174.224 0.2 . 1 . . . . . 146 SER C . 51662 1 1151 . 1 . 1 122 122 SER CA C 13 58.434 0.2 . 1 . . . . . 146 SER CA . 51662 1 1152 . 1 . 1 122 122 SER CB C 13 63.819 0.2 . 1 . . . . . 146 SER CB . 51662 1 1153 . 1 . 1 122 122 SER N N 15 116.634 0.2 . 1 . . . . . 146 SER N . 51662 1 1154 . 1 . 1 123 123 HIS H H 1 8.341 0.02 . 1 . . . . . 147 HIS H . 51662 1 1155 . 1 . 1 123 123 HIS C C 13 174.856 0.2 . 1 . . . . . 147 HIS C . 51662 1 1156 . 1 . 1 123 123 HIS N N 15 120.538 0.2 . 1 . . . . . 147 HIS N . 51662 1 1157 . 1 . 1 124 124 SER HA H 1 4.361 0.02 . 1 . . . . . 148 SER HA . 51662 1 1158 . 1 . 1 124 124 SER C C 13 174.221 0.2 . 1 . . . . . 148 SER C . 51662 1 1159 . 1 . 1 124 124 SER N N 15 116.676 0.2 . 1 . . . . . 148 SER N . 51662 1 1160 . 1 . 1 125 125 ASN HA H 1 4.721 0.02 . 1 . . . . . 149 ASN HA . 51662 1 1161 . 1 . 1 125 125 ASN C C 13 174.870 0.2 . 1 . . . . . 149 ASN C . 51662 1 1162 . 1 . 1 125 125 ASN N N 15 120.535 0.2 . 1 . . . . . 149 ASN N . 51662 1 1163 . 1 . 1 126 126 ASN HA H 1 4.684 0.02 . 1 . . . . . 150 ASN HA . 51662 1 1164 . 1 . 1 126 126 ASN C C 13 175.032 0.2 . 1 . . . . . 150 ASN C . 51662 1 1165 . 1 . 1 126 126 ASN N N 15 118.834 0.2 . 1 . . . . . 150 ASN N . 51662 1 1166 . 1 . 1 128 128 GLN HA H 1 4.231 0.02 . 1 . . . . . 152 GLN HA . 51662 1 1167 . 1 . 1 128 128 GLN C C 13 175.666 0.2 . 1 . . . . . 152 GLN C . 51662 1 1168 . 1 . 1 128 128 GLN CA C 13 56.189 0.2 . 1 . . . . . 152 GLN CA . 51662 1 1169 . 1 . 1 128 128 GLN CB C 13 29.303 0.2 . 1 . . . . . 152 GLN CB . 51662 1 1170 . 1 . 1 128 128 GLN N N 15 120.164 0.2 . 1 . . . . . 152 GLN N . 51662 1 1171 . 1 . 1 129 129 ALA H H 1 8.100 0.02 . 1 . . . . . 153 ALA H . 51662 1 1172 . 1 . 1 129 129 ALA HA H 1 4.230 0.02 . 1 . . . . . 153 ALA HA . 51662 1 1173 . 1 . 1 129 129 ALA C C 13 177.405 0.2 . 1 . . . . . 153 ALA C . 51662 1 1174 . 1 . 1 129 129 ALA CA C 13 52.725 0.2 . 1 . . . . . 153 ALA CA . 51662 1 1175 . 1 . 1 129 129 ALA CB C 13 19.175 0.2 . 1 . . . . . 153 ALA CB . 51662 1 1176 . 1 . 1 129 129 ALA N N 15 124.137 0.2 . 1 . . . . . 153 ALA N . 51662 1 1177 . 1 . 1 130 130 TYR H H 1 7.936 0.02 . 1 . . . . . 154 TYR H . 51662 1 1178 . 1 . 1 130 130 TYR HA H 1 4.500 0.02 . 1 . . . . . 154 TYR HA . 51662 1 1179 . 1 . 1 130 130 TYR C C 13 175.425 0.2 . 1 . . . . . 154 TYR C . 51662 1 1180 . 1 . 1 130 130 TYR CA C 13 57.871 0.2 . 1 . . . . . 154 TYR CA . 51662 1 1181 . 1 . 1 130 130 TYR CB C 13 38.772 0.2 . 1 . . . . . 154 TYR CB . 51662 1 1182 . 1 . 1 130 130 TYR N N 15 118.907 0.2 . 1 . . . . . 154 TYR N . 51662 1 1183 . 1 . 1 131 131 ASN H H 1 8.141 0.02 . 1 . . . . . 155 ASN H . 51662 1 1184 . 1 . 1 131 131 ASN HA H 1 4.606 0.02 . 1 . . . . . 155 ASN HA . 51662 1 1185 . 1 . 1 131 131 ASN C C 13 174.930 0.2 . 1 . . . . . 155 ASN C . 51662 1 1186 . 1 . 1 131 131 ASN CA C 13 52.980 0.2 . 1 . . . . . 155 ASN CA . 51662 1 1187 . 1 . 1 131 131 ASN CB C 13 38.977 0.2 . 1 . . . . . 155 ASN CB . 51662 1 1188 . 1 . 1 131 131 ASN N N 15 120.599 0.2 . 1 . . . . . 155 ASN N . 51662 1 1189 . 1 . 1 132 132 SER H H 1 8.085 0.02 . 1 . . . . . 156 SER H . 51662 1 1190 . 1 . 1 132 132 SER C C 13 174.321 0.2 . 1 . . . . . 156 SER C . 51662 1 1191 . 1 . 1 132 132 SER N N 15 115.973 0.2 . 1 . . . . . 156 SER N . 51662 1 1192 . 1 . 1 134 134 ASP HA H 1 4.561 0.02 . 1 . . . . . 158 ASP HA . 51662 1 1193 . 1 . 1 134 134 ASP C C 13 176.747 0.2 . 1 . . . . . 158 ASP C . 51662 1 1194 . 1 . 1 134 134 ASP N N 15 120.309 0.2 . 1 . . . . . 158 ASP N . 51662 1 1195 . 1 . 1 135 135 GLY H H 1 8.296 0.02 . 1 . . . . . 159 GLY H . 51662 1 1196 . 1 . 1 135 135 GLY HA2 H 1 3.921 0.02 . 1 . . . . . 159 GLY HA2 . 51662 1 1197 . 1 . 1 135 135 GLY HA3 H 1 3.921 0.02 . 1 . . . . . 159 GLY HA3 . 51662 1 1198 . 1 . 1 135 135 GLY C C 13 174.386 0.2 . 1 . . . . . 159 GLY C . 51662 1 1199 . 1 . 1 135 135 GLY CA C 13 45.664 0.2 . 1 . . . . . 159 GLY CA . 51662 1 1200 . 1 . 1 135 135 GLY N N 15 109.160 0.2 . 1 . . . . . 159 GLY N . 51662 1 1201 . 1 . 1 136 136 ASN H H 1 8.281 0.02 . 1 . . . . . 160 ASN H . 51662 1 1202 . 1 . 1 136 136 ASN C C 13 175.856 0.2 . 1 . . . . . 160 ASN C . 51662 1 1203 . 1 . 1 136 136 ASN CA C 13 53.260 0.2 . 1 . . . . . 160 ASN CA . 51662 1 1204 . 1 . 1 136 136 ASN CB C 13 39.010 0.2 . 1 . . . . . 160 ASN CB . 51662 1 1205 . 1 . 1 136 136 ASN N N 15 118.549 0.2 . 1 . . . . . 160 ASN N . 51662 1 1206 . 1 . 1 137 137 GLY H H 1 8.322 0.02 . 1 . . . . . 161 GLY H . 51662 1 1207 . 1 . 1 137 137 GLY HA2 H 1 3.901 0.02 . 1 . . . . . 161 GLY HA2 . 51662 1 1208 . 1 . 1 137 137 GLY HA3 H 1 3.901 0.02 . 1 . . . . . 161 GLY HA3 . 51662 1 1209 . 1 . 1 137 137 GLY C C 13 174.006 0.2 . 1 . . . . . 161 GLY C . 51662 1 1210 . 1 . 1 137 137 GLY CA C 13 45.624 0.2 . 1 . . . . . 161 GLY CA . 51662 1 1211 . 1 . 1 137 137 GLY N N 15 109.034 0.2 . 1 . . . . . 161 GLY N . 51662 1 1212 . 1 . 1 138 138 LYS H H 1 7.981 0.02 . 1 . . . . . 162 LYS H . 51662 1 1213 . 1 . 1 138 138 LYS HA H 1 4.304 0.02 . 1 . . . . . 162 LYS HA . 51662 1 1214 . 1 . 1 138 138 LYS C C 13 176.458 0.2 . 1 . . . . . 162 LYS C . 51662 1 1215 . 1 . 1 138 138 LYS CA C 13 56.250 0.2 . 1 . . . . . 162 LYS CA . 51662 1 1216 . 1 . 1 138 138 LYS CB C 13 33.013 0.2 . 1 . . . . . 162 LYS CB . 51662 1 1217 . 1 . 1 138 138 LYS N N 15 120.697 0.2 . 1 . . . . . 162 LYS N . 51662 1 1218 . 1 . 1 139 139 VAL H H 1 7.979 0.02 . 1 . . . . . 163 VAL H . 51662 1 1219 . 1 . 1 139 139 VAL HA H 1 4.002 0.02 . 1 . . . . . 163 VAL HA . 51662 1 1220 . 1 . 1 139 139 VAL C C 13 175.373 0.2 . 1 . . . . . 163 VAL C . 51662 1 1221 . 1 . 1 139 139 VAL CA C 13 62.186 0.2 . 1 . . . . . 163 VAL CA . 51662 1 1222 . 1 . 1 139 139 VAL CB C 13 32.965 0.2 . 1 . . . . . 163 VAL CB . 51662 1 1223 . 1 . 1 139 139 VAL N N 15 120.734 0.2 . 1 . . . . . 163 VAL N . 51662 1 1224 . 1 . 1 140 140 ASN H H 1 8.250 0.02 . 1 . . . . . 164 ASN H . 51662 1 1225 . 1 . 1 140 140 ASN C C 13 174.119 0.2 . 1 . . . . . 164 ASN C . 51662 1 1226 . 1 . 1 140 140 ASN CA C 13 52.883 0.2 . 1 . . . . . 164 ASN CA . 51662 1 1227 . 1 . 1 140 140 ASN CB C 13 39.398 0.2 . 1 . . . . . 164 ASN CB . 51662 1 1228 . 1 . 1 140 140 ASN N N 15 122.187 0.2 . 1 . . . . . 164 ASN N . 51662 1 1229 . 1 . 1 141 141 TYR H H 1 8.058 0.02 . 1 . . . . . 165 TYR H . 51662 1 1230 . 1 . 1 141 141 TYR HA H 1 4.794 0.02 . 1 . . . . . 165 TYR HA . 51662 1 1231 . 1 . 1 141 141 TYR C C 13 174.100 0.2 . 1 . . . . . 165 TYR C . 51662 1 1232 . 1 . 1 141 141 TYR CA C 13 55.768 0.2 . 1 . . . . . 165 TYR CA . 51662 1 1233 . 1 . 1 141 141 TYR CB C 13 38.330 0.2 . 1 . . . . . 165 TYR CB . 51662 1 1234 . 1 . 1 141 141 TYR N N 15 121.734 0.2 . 1 . . . . . 165 TYR N . 51662 1 1235 . 1 . 1 142 142 PRO HA H 1 4.386 0.02 . 1 . . . . . 166 PRO HA . 51662 1 1236 . 1 . 1 142 142 PRO C C 13 176.798 0.2 . 1 . . . . . 166 PRO C . 51662 1 1237 . 1 . 1 142 142 PRO CA C 13 63.698 0.2 . 1 . . . . . 166 PRO CA . 51662 1 1238 . 1 . 1 142 142 PRO CB C 13 32.137 0.2 . 1 . . . . . 166 PRO CB . 51662 1 1239 . 1 . 1 142 142 PRO N N 15 136.879 0.2 . 1 . . . . . 166 PRO N . 51662 1 1240 . 1 . 1 143 143 ASN H H 1 8.378 0.02 . 1 . . . . . 167 ASN H . 51662 1 1241 . 1 . 1 143 143 ASN HA H 1 4.716 0.02 . 1 . . . . . 167 ASN HA . 51662 1 1242 . 1 . 1 143 143 ASN C C 13 175.810 0.2 . 1 . . . . . 167 ASN C . 51662 1 1243 . 1 . 1 143 143 ASN CA C 13 53.413 0.2 . 1 . . . . . 167 ASN CA . 51662 1 1244 . 1 . 1 143 143 ASN CB C 13 39.082 0.2 . 1 . . . . . 167 ASN CB . 51662 1 1245 . 1 . 1 143 143 ASN N N 15 118.312 0.2 . 1 . . . . . 167 ASN N . 51662 1 1246 . 1 . 1 144 144 GLY H H 1 8.278 0.02 . 1 . . . . . 168 GLY H . 51662 1 1247 . 1 . 1 144 144 GLY HA2 H 1 4.012 0.02 . 1 . . . . . 168 GLY HA2 . 51662 1 1248 . 1 . 1 144 144 GLY HA3 H 1 4.012 0.02 . 1 . . . . . 168 GLY HA3 . 51662 1 1249 . 1 . 1 144 144 GLY C C 13 174.433 0.2 . 1 . . . . . 168 GLY C . 51662 1 1250 . 1 . 1 144 144 GLY CA C 13 45.631 0.2 . 1 . . . . . 168 GLY CA . 51662 1 1251 . 1 . 1 144 144 GLY N N 15 109.109 0.2 . 1 . . . . . 168 GLY N . 51662 1 1252 . 1 . 1 145 145 THR H H 1 8.002 0.02 . 1 . . . . . 169 THR H . 51662 1 1253 . 1 . 1 145 145 THR HA H 1 4.381 0.02 . 1 . . . . . 169 THR HA . 51662 1 1254 . 1 . 1 145 145 THR C C 13 174.758 0.2 . 1 . . . . . 169 THR C . 51662 1 1255 . 1 . 1 145 145 THR CA C 13 61.884 0.2 . 1 . . . . . 169 THR CA . 51662 1 1256 . 1 . 1 145 145 THR CB C 13 70.376 0.2 . 1 . . . . . 169 THR CB . 51662 1 1257 . 1 . 1 145 145 THR N N 15 112.929 0.2 . 1 . . . . . 169 THR N . 51662 1 1258 . 1 . 1 146 146 SER H H 1 8.285 0.02 . 1 . . . . . 170 SER H . 51662 1 1259 . 1 . 1 146 146 SER HA H 1 4.443 0.02 . 1 . . . . . 170 SER HA . 51662 1 1260 . 1 . 1 146 146 SER C C 13 174.293 0.2 . 1 . . . . . 170 SER C . 51662 1 1261 . 1 . 1 146 146 SER CA C 13 58.547 0.2 . 1 . . . . . 170 SER CA . 51662 1 1262 . 1 . 1 146 146 SER CB C 13 63.963 0.2 . 1 . . . . . 170 SER CB . 51662 1 1263 . 1 . 1 146 146 SER N N 15 117.566 0.2 . 1 . . . . . 170 SER N . 51662 1 1264 . 1 . 1 147 147 ASN H H 1 8.365 0.02 . 1 . . . . . 171 ASN H . 51662 1 1265 . 1 . 1 147 147 ASN C C 13 175.323 0.2 . 1 . . . . . 171 ASN C . 51662 1 1266 . 1 . 1 147 147 ASN CA C 13 53.577 0.2 . 1 . . . . . 171 ASN CA . 51662 1 1267 . 1 . 1 147 147 ASN CB C 13 38.890 0.2 . 1 . . . . . 171 ASN CB . 51662 1 1268 . 1 . 1 147 147 ASN N N 15 120.505 0.2 . 1 . . . . . 171 ASN N . 51662 1 1269 . 1 . 1 148 148 GLN H H 1 8.285 0.02 . 1 . . . . . 172 GLN H . 51662 1 1270 . 1 . 1 148 148 GLN C C 13 175.881 0.2 . 1 . . . . . 172 GLN C . 51662 1 1271 . 1 . 1 148 148 GLN CA C 13 56.241 0.2 . 1 . . . . . 172 GLN CA . 51662 1 1272 . 1 . 1 148 148 GLN CB C 13 29.251 0.2 . 1 . . . . . 172 GLN CB . 51662 1 1273 . 1 . 1 148 148 GLN N N 15 120.340 0.2 . 1 . . . . . 172 GLN N . 51662 1 1274 . 1 . 1 149 149 ASN HA H 1 4.633 0.02 . 1 . . . . . 173 ASN HA . 51662 1 1275 . 1 . 1 149 149 ASN C C 13 175.805 0.2 . 1 . . . . . 173 ASN C . 51662 1 1276 . 1 . 1 149 149 ASN CA C 13 53.510 0.2 . 1 . . . . . 173 ASN CA . 51662 1 1277 . 1 . 1 149 149 ASN N N 15 119.358 0.2 . 1 . . . . . 173 ASN N . 51662 1 1278 . 1 . 1 150 150 GLY HA2 H 1 3.955 0.02 . 1 . . . . . 174 GLY HA2 . 51662 1 1279 . 1 . 1 150 150 GLY HA3 H 1 3.955 0.02 . 1 . . . . . 174 GLY HA3 . 51662 1 1280 . 1 . 1 150 150 GLY C C 13 174.818 0.2 . 1 . . . . . 174 GLY C . 51662 1 1281 . 1 . 1 150 150 GLY CA C 13 45.676 0.2 . 1 . . . . . 174 GLY CA . 51662 1 1282 . 1 . 1 150 150 GLY N N 15 109.083 0.2 . 1 . . . . . 174 GLY N . 51662 1 1283 . 1 . 1 151 151 GLY H H 1 8.197 0.02 . 1 . . . . . 175 GLY H . 51662 1 1284 . 1 . 1 151 151 GLY HA2 H 1 3.984 0.02 . 1 . . . . . 175 GLY HA2 . 51662 1 1285 . 1 . 1 151 151 GLY HA3 H 1 3.984 0.02 . 1 . . . . . 175 GLY HA3 . 51662 1 1286 . 1 . 1 151 151 GLY C C 13 174.466 0.2 . 1 . . . . . 175 GLY C . 51662 1 1287 . 1 . 1 151 151 GLY CA C 13 45.412 0.2 . 1 . . . . . 175 GLY CA . 51662 1 1288 . 1 . 1 151 151 GLY N N 15 108.625 0.2 . 1 . . . . . 175 GLY N . 51662 1 1289 . 1 . 1 152 152 SER HA H 1 4.414 0.02 . 1 . . . . . 176 SER HA . 51662 1 1290 . 1 . 1 152 152 SER C C 13 174.662 0.2 . 1 . . . . . 176 SER C . 51662 1 1291 . 1 . 1 152 152 SER CA C 13 58.574 0.2 . 1 . . . . . 176 SER CA . 51662 1 1292 . 1 . 1 152 152 SER CB C 13 63.822 0.2 . 1 . . . . . 176 SER CB . 51662 1 1293 . 1 . 1 152 152 SER N N 15 115.749 0.2 . 1 . . . . . 176 SER N . 51662 1 1294 . 1 . 1 153 153 ALA H H 1 8.273 0.02 . 1 . . . . . 177 ALA H . 51662 1 1295 . 1 . 1 153 153 ALA HA H 1 4.340 0.02 . 1 . . . . . 177 ALA HA . 51662 1 1296 . 1 . 1 153 153 ALA C C 13 177.905 0.2 . 1 . . . . . 177 ALA C . 51662 1 1297 . 1 . 1 153 153 ALA CA C 13 52.834 0.2 . 1 . . . . . 177 ALA CA . 51662 1 1298 . 1 . 1 153 153 ALA CB C 13 19.108 0.2 . 1 . . . . . 177 ALA CB . 51662 1 1299 . 1 . 1 153 153 ALA N N 15 125.676 0.2 . 1 . . . . . 177 ALA N . 51662 1 1300 . 1 . 1 154 154 SER H H 1 8.113 0.02 . 1 . . . . . 178 SER H . 51662 1 1301 . 1 . 1 154 154 SER HA H 1 4.390 0.02 . 1 . . . . . 178 SER HA . 51662 1 1302 . 1 . 1 154 154 SER C C 13 174.637 0.2 . 1 . . . . . 178 SER C . 51662 1 1303 . 1 . 1 154 154 SER CA C 13 58.450 0.2 . 1 . . . . . 178 SER CA . 51662 1 1304 . 1 . 1 154 154 SER CB C 13 63.587 0.2 . 1 . . . . . 178 SER CB . 51662 1 1305 . 1 . 1 154 154 SER N N 15 114.591 0.2 . 1 . . . . . 178 SER N . 51662 1 1306 . 1 . 1 155 155 LYS H H 1 8.166 0.02 . 1 . . . . . 179 LYS H . 51662 1 1307 . 1 . 1 155 155 LYS HA H 1 4.323 0.02 . 1 . . . . . 179 LYS HA . 51662 1 1308 . 1 . 1 155 155 LYS C C 13 176.313 0.2 . 1 . . . . . 179 LYS C . 51662 1 1309 . 1 . 1 155 155 LYS CA C 13 56.188 0.2 . 1 . . . . . 179 LYS CA . 51662 1 1310 . 1 . 1 155 155 LYS CB C 13 33.038 0.2 . 1 . . . . . 179 LYS CB . 51662 1 1311 . 1 . 1 155 155 LYS N N 15 123.044 0.2 . 1 . . . . . 179 LYS N . 51662 1 1312 . 1 . 1 156 156 ALA H H 1 8.213 0.02 . 1 . . . . . 180 ALA H . 51662 1 1313 . 1 . 1 156 156 ALA HA H 1 4.352 0.02 . 1 . . . . . 180 ALA HA . 51662 1 1314 . 1 . 1 156 156 ALA C C 13 177.917 0.2 . 1 . . . . . 180 ALA C . 51662 1 1315 . 1 . 1 156 156 ALA CA C 13 52.791 0.2 . 1 . . . . . 180 ALA CA . 51662 1 1316 . 1 . 1 156 156 ALA CB C 13 19.297 0.2 . 1 . . . . . 180 ALA CB . 51662 1 1317 . 1 . 1 156 156 ALA N N 15 124.954 0.2 . 1 . . . . . 180 ALA N . 51662 1 1318 . 1 . 1 157 157 THR H H 1 7.996 0.02 . 1 . . . . . 181 THR H . 51662 1 1319 . 1 . 1 157 157 THR HA H 1 4.312 0.02 . 1 . . . . . 181 THR HA . 51662 1 1320 . 1 . 1 157 157 THR C C 13 174.353 0.2 . 1 . . . . . 181 THR C . 51662 1 1321 . 1 . 1 157 157 THR CA C 13 61.661 0.2 . 1 . . . . . 181 THR CA . 51662 1 1322 . 1 . 1 157 157 THR CB C 13 70.002 0.2 . 1 . . . . . 181 THR CB . 51662 1 1323 . 1 . 1 157 157 THR N N 15 113.018 0.2 . 1 . . . . . 181 THR N . 51662 1 1324 . 1 . 1 158 158 ALA H H 1 8.238 0.02 . 1 . . . . . 182 ALA H . 51662 1 1325 . 1 . 1 158 158 ALA HA H 1 4.378 0.02 . 1 . . . . . 182 ALA HA . 51662 1 1326 . 1 . 1 158 158 ALA C C 13 177.585 0.2 . 1 . . . . . 182 ALA C . 51662 1 1327 . 1 . 1 158 158 ALA CA C 13 52.733 0.2 . 1 . . . . . 182 ALA CA . 51662 1 1328 . 1 . 1 158 158 ALA CB C 13 19.443 0.2 . 1 . . . . . 182 ALA CB . 51662 1 1329 . 1 . 1 158 158 ALA N N 15 126.265 0.2 . 1 . . . . . 182 ALA N . 51662 1 1330 . 1 . 1 159 159 SER H H 1 8.195 0.02 . 1 . . . . . 183 SER H . 51662 1 1331 . 1 . 1 159 159 SER HA H 1 4.445 0.02 . 1 . . . . . 183 SER HA . 51662 1 1332 . 1 . 1 159 159 SER C C 13 173.975 0.2 . 1 . . . . . 183 SER C . 51662 1 1333 . 1 . 1 159 159 SER CA C 13 58.368 0.2 . 1 . . . . . 183 SER CA . 51662 1 1334 . 1 . 1 159 159 SER CB C 13 64.124 0.2 . 1 . . . . . 183 SER CB . 51662 1 1335 . 1 . 1 159 159 SER N N 15 115.186 0.2 . 1 . . . . . 183 SER N . 51662 1 1336 . 1 . 1 160 160 GLY H H 1 7.895 0.02 . 1 . . . . . 184 GLY H . 51662 1 1337 . 1 . 1 160 160 GLY HA2 H 1 3.755 0.02 . 1 . . . . . 184 GLY HA2 . 51662 1 1338 . 1 . 1 160 160 GLY HA3 H 1 3.755 0.02 . 1 . . . . . 184 GLY HA3 . 51662 1 1339 . 1 . 1 160 160 GLY C C 13 178.925 0.2 . 1 . . . . . 184 GLY C . 51662 1 1340 . 1 . 1 160 160 GLY CA C 13 46.286 0.2 . 1 . . . . . 184 GLY CA . 51662 1 1341 . 1 . 1 160 160 GLY N N 15 116.901 0.2 . 1 . . . . . 184 GLY N . 51662 1 stop_ save_