data_50708 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50708 _Entry.Title ; N-terminal acetylated FUS LC (1-163) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-01-13 _Entry.Accession_date 2021-01-13 _Entry.Last_release_date 2021-01-17 _Entry.Original_release_date 2021-01-17 _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 Anna Bock . . . . 50708 2 Anastasia Murthy . . . . 50708 3 Nicolas Fawzi . . . . 50708 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50708 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 444 50708 '15N chemical shifts' 150 50708 '1H chemical shifts' 150 50708 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-09-03 2021-01-13 update BMRB 'update entry citation' 50708 1 . . 2021-02-22 2021-01-13 original author 'original release' 50708 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50708 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33547841 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; N-terminal acetylation modestly enhances phase separation and reduces aggregation of the low-complexity domain of RNA-binding protein fused in sarcoma ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-896X _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 1337 _Citation.Page_last 1349 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Anna Bock . . . . 50708 1 2 Anastasia Murthy . . . . 50708 1 3 WaiShing Tang . . . . 50708 1 4 Nina Jovic . . . . 50708 1 5 Frank Shewmaker . . . . 50708 1 6 Jeetain Mittal . . . . 50708 1 7 Nicolas Fawzi . . . . 50708 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50708 _Assembly.ID 1 _Assembly.Name FUS_LC _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 FUS_LC 1 $entity_1 . . yes native no no . . . 50708 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50708 _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 ; XASNDYTQQATQSYGAYPTQ PGQGYSQQSSQPYGQQSYSG YSQSTDTSGYGQSSYSSYGQ SQNTGYGTQSTPQGYGSTGG YGSSQSSQSSYGQQSSYPGY GQQPAPSSTSGSYGSSSQSS SYGQPQSGSYSQQPSYGGQQ QSYGQQQSYNPPQGYGQQNQ YNS ; _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 163 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . ACE . 50708 1 2 . ALA . 50708 1 3 . SER . 50708 1 4 . ASN . 50708 1 5 . ASP . 50708 1 6 . TYR . 50708 1 7 . THR . 50708 1 8 . GLN . 50708 1 9 . GLN . 50708 1 10 . ALA . 50708 1 11 . THR . 50708 1 12 . GLN . 50708 1 13 . SER . 50708 1 14 . TYR . 50708 1 15 . GLY . 50708 1 16 . ALA . 50708 1 17 . TYR . 50708 1 18 . PRO . 50708 1 19 . THR . 50708 1 20 . GLN . 50708 1 21 . PRO . 50708 1 22 . GLY . 50708 1 23 . GLN . 50708 1 24 . GLY . 50708 1 25 . TYR . 50708 1 26 . SER . 50708 1 27 . GLN . 50708 1 28 . GLN . 50708 1 29 . SER . 50708 1 30 . SER . 50708 1 31 . GLN . 50708 1 32 . PRO . 50708 1 33 . TYR . 50708 1 34 . GLY . 50708 1 35 . GLN . 50708 1 36 . GLN . 50708 1 37 . SER . 50708 1 38 . TYR . 50708 1 39 . SER . 50708 1 40 . GLY . 50708 1 41 . TYR . 50708 1 42 . SER . 50708 1 43 . GLN . 50708 1 44 . SER . 50708 1 45 . THR . 50708 1 46 . ASP . 50708 1 47 . THR . 50708 1 48 . SER . 50708 1 49 . GLY . 50708 1 50 . TYR . 50708 1 51 . GLY . 50708 1 52 . GLN . 50708 1 53 . SER . 50708 1 54 . SER . 50708 1 55 . TYR . 50708 1 56 . SER . 50708 1 57 . SER . 50708 1 58 . TYR . 50708 1 59 . GLY . 50708 1 60 . GLN . 50708 1 61 . SER . 50708 1 62 . GLN . 50708 1 63 . ASN . 50708 1 64 . THR . 50708 1 65 . GLY . 50708 1 66 . TYR . 50708 1 67 . GLY . 50708 1 68 . THR . 50708 1 69 . GLN . 50708 1 70 . SER . 50708 1 71 . THR . 50708 1 72 . PRO . 50708 1 73 . GLN . 50708 1 74 . GLY . 50708 1 75 . TYR . 50708 1 76 . GLY . 50708 1 77 . SER . 50708 1 78 . THR . 50708 1 79 . GLY . 50708 1 80 . GLY . 50708 1 81 . TYR . 50708 1 82 . GLY . 50708 1 83 . SER . 50708 1 84 . SER . 50708 1 85 . GLN . 50708 1 86 . SER . 50708 1 87 . SER . 50708 1 88 . GLN . 50708 1 89 . SER . 50708 1 90 . SER . 50708 1 91 . TYR . 50708 1 92 . GLY . 50708 1 93 . GLN . 50708 1 94 . GLN . 50708 1 95 . SER . 50708 1 96 . SER . 50708 1 97 . TYR . 50708 1 98 . PRO . 50708 1 99 . GLY . 50708 1 100 . TYR . 50708 1 101 . GLY . 50708 1 102 . GLN . 50708 1 103 . GLN . 50708 1 104 . PRO . 50708 1 105 . ALA . 50708 1 106 . PRO . 50708 1 107 . SER . 50708 1 108 . SER . 50708 1 109 . THR . 50708 1 110 . SER . 50708 1 111 . GLY . 50708 1 112 . SER . 50708 1 113 . TYR . 50708 1 114 . GLY . 50708 1 115 . SER . 50708 1 116 . SER . 50708 1 117 . SER . 50708 1 118 . GLN . 50708 1 119 . SER . 50708 1 120 . SER . 50708 1 121 . SER . 50708 1 122 . TYR . 50708 1 123 . GLY . 50708 1 124 . GLN . 50708 1 125 . PRO . 50708 1 126 . GLN . 50708 1 127 . SER . 50708 1 128 . GLY . 50708 1 129 . SER . 50708 1 130 . TYR . 50708 1 131 . SER . 50708 1 132 . GLN . 50708 1 133 . GLN . 50708 1 134 . PRO . 50708 1 135 . SER . 50708 1 136 . TYR . 50708 1 137 . GLY . 50708 1 138 . GLY . 50708 1 139 . GLN . 50708 1 140 . GLN . 50708 1 141 . GLN . 50708 1 142 . SER . 50708 1 143 . TYR . 50708 1 144 . GLY . 50708 1 145 . GLN . 50708 1 146 . GLN . 50708 1 147 . GLN . 50708 1 148 . SER . 50708 1 149 . TYR . 50708 1 150 . ASN . 50708 1 151 . PRO . 50708 1 152 . PRO . 50708 1 153 . GLN . 50708 1 154 . GLY . 50708 1 155 . TYR . 50708 1 156 . GLY . 50708 1 157 . GLN . 50708 1 158 . GLN . 50708 1 159 . ASN . 50708 1 160 . GLN . 50708 1 161 . TYR . 50708 1 162 . ASN . 50708 1 163 . SER . 50708 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 . ACE 1 1 50708 1 . ALA 2 2 50708 1 . SER 3 3 50708 1 . ASN 4 4 50708 1 . ASP 5 5 50708 1 . TYR 6 6 50708 1 . THR 7 7 50708 1 . GLN 8 8 50708 1 . GLN 9 9 50708 1 . ALA 10 10 50708 1 . THR 11 11 50708 1 . GLN 12 12 50708 1 . SER 13 13 50708 1 . TYR 14 14 50708 1 . GLY 15 15 50708 1 . ALA 16 16 50708 1 . TYR 17 17 50708 1 . PRO 18 18 50708 1 . THR 19 19 50708 1 . GLN 20 20 50708 1 . PRO 21 21 50708 1 . GLY 22 22 50708 1 . GLN 23 23 50708 1 . GLY 24 24 50708 1 . TYR 25 25 50708 1 . SER 26 26 50708 1 . GLN 27 27 50708 1 . GLN 28 28 50708 1 . SER 29 29 50708 1 . SER 30 30 50708 1 . GLN 31 31 50708 1 . PRO 32 32 50708 1 . TYR 33 33 50708 1 . GLY 34 34 50708 1 . GLN 35 35 50708 1 . GLN 36 36 50708 1 . SER 37 37 50708 1 . TYR 38 38 50708 1 . SER 39 39 50708 1 . GLY 40 40 50708 1 . TYR 41 41 50708 1 . SER 42 42 50708 1 . GLN 43 43 50708 1 . SER 44 44 50708 1 . THR 45 45 50708 1 . ASP 46 46 50708 1 . THR 47 47 50708 1 . SER 48 48 50708 1 . GLY 49 49 50708 1 . TYR 50 50 50708 1 . GLY 51 51 50708 1 . GLN 52 52 50708 1 . SER 53 53 50708 1 . SER 54 54 50708 1 . TYR 55 55 50708 1 . SER 56 56 50708 1 . SER 57 57 50708 1 . TYR 58 58 50708 1 . GLY 59 59 50708 1 . GLN 60 60 50708 1 . SER 61 61 50708 1 . GLN 62 62 50708 1 . ASN 63 63 50708 1 . THR 64 64 50708 1 . GLY 65 65 50708 1 . TYR 66 66 50708 1 . GLY 67 67 50708 1 . THR 68 68 50708 1 . GLN 69 69 50708 1 . SER 70 70 50708 1 . THR 71 71 50708 1 . PRO 72 72 50708 1 . GLN 73 73 50708 1 . GLY 74 74 50708 1 . TYR 75 75 50708 1 . GLY 76 76 50708 1 . SER 77 77 50708 1 . THR 78 78 50708 1 . GLY 79 79 50708 1 . GLY 80 80 50708 1 . TYR 81 81 50708 1 . GLY 82 82 50708 1 . SER 83 83 50708 1 . SER 84 84 50708 1 . GLN 85 85 50708 1 . SER 86 86 50708 1 . SER 87 87 50708 1 . GLN 88 88 50708 1 . SER 89 89 50708 1 . SER 90 90 50708 1 . TYR 91 91 50708 1 . GLY 92 92 50708 1 . GLN 93 93 50708 1 . GLN 94 94 50708 1 . SER 95 95 50708 1 . SER 96 96 50708 1 . TYR 97 97 50708 1 . PRO 98 98 50708 1 . GLY 99 99 50708 1 . TYR 100 100 50708 1 . GLY 101 101 50708 1 . GLN 102 102 50708 1 . GLN 103 103 50708 1 . PRO 104 104 50708 1 . ALA 105 105 50708 1 . PRO 106 106 50708 1 . SER 107 107 50708 1 . SER 108 108 50708 1 . THR 109 109 50708 1 . SER 110 110 50708 1 . GLY 111 111 50708 1 . SER 112 112 50708 1 . TYR 113 113 50708 1 . GLY 114 114 50708 1 . SER 115 115 50708 1 . SER 116 116 50708 1 . SER 117 117 50708 1 . GLN 118 118 50708 1 . SER 119 119 50708 1 . SER 120 120 50708 1 . SER 121 121 50708 1 . TYR 122 122 50708 1 . GLY 123 123 50708 1 . GLN 124 124 50708 1 . PRO 125 125 50708 1 . GLN 126 126 50708 1 . SER 127 127 50708 1 . GLY 128 128 50708 1 . SER 129 129 50708 1 . TYR 130 130 50708 1 . SER 131 131 50708 1 . GLN 132 132 50708 1 . GLN 133 133 50708 1 . PRO 134 134 50708 1 . SER 135 135 50708 1 . TYR 136 136 50708 1 . GLY 137 137 50708 1 . GLY 138 138 50708 1 . GLN 139 139 50708 1 . GLN 140 140 50708 1 . GLN 141 141 50708 1 . SER 142 142 50708 1 . TYR 143 143 50708 1 . GLY 144 144 50708 1 . GLN 145 145 50708 1 . GLN 146 146 50708 1 . GLN 147 147 50708 1 . SER 148 148 50708 1 . TYR 149 149 50708 1 . ASN 150 150 50708 1 . PRO 151 151 50708 1 . PRO 152 152 50708 1 . GLN 153 153 50708 1 . GLY 154 154 50708 1 . TYR 155 155 50708 1 . GLY 156 156 50708 1 . GLN 157 157 50708 1 . GLN 158 158 50708 1 . ASN 159 159 50708 1 . GLN 160 160 50708 1 . TYR 161 161 50708 1 . ASN 162 162 50708 1 . SER 163 163 50708 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 50708 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50708 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 50708 _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 . . . plasmid . . FUS_anion . . . 50708 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID 50708 _Chem_comp.ID ACE _Chem_comp.Provenance PDB _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ACE _Chem_comp.PDB_code ACE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces ACU _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACE _Chem_comp.Number_atoms_all 7 _Chem_comp.Number_atoms_nh 3 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C2H4O/c1-2-3/h2H,1H3 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H4 O' _Chem_comp.Formula_weight 44.053 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC=O SMILES CACTVS 3.341 50708 ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 50708 ACE CC=O SMILES_CANONICAL CACTVS 3.341 50708 ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50708 ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 50708 ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 50708 ACE O=CC SMILES ACDLabs 10.04 50708 ACE stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID acetaldehyde 'SYSTEMATIC NAME' ACDLabs 10.04 50708 ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50708 ACE stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C C C C . C . . N 0 . . . 1 N N . . . . 0.772 . -10.072 . 6.578 . -0.133 0.453 0.000 1 . 50708 ACE O O O O . O . . N 0 . . . 1 N N . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . 50708 ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 N N . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . 50708 ACE H H H H . H . . N 0 . . . 1 N N . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . 50708 ACE H1 H1 H1 1H . H . . N 0 . . . 1 N N . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . 50708 ACE H2 H2 H2 2H . H . . N 0 . . . 1 N N . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . 50708 ACE H3 H3 H3 3H . H . . N 0 . . . 1 N N . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . 50708 ACE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C O N N 1 . 50708 ACE 2 . SING C CH3 N N 2 . 50708 ACE 3 . SING C H N N 3 . 50708 ACE 4 . SING CH3 H1 N N 4 . 50708 ACE 5 . SING CH3 H2 N N 5 . 50708 ACE 6 . SING CH3 H3 N N 6 . 50708 ACE stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50708 _Sample.ID 1 _Sample.Name NtAcFUS_LC _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FUS_LC_NtAc '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 100 . . uM . . . . 50708 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 50708 1 3 MES 'natural abundance' . . . . . . 50 . . mM . . . . 50708 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50708 1 5 'Bis Tris' 'natural abundance' . . . . . . 1 . . mM . . . . 50708 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50708 _Sample_condition_list.ID 1 _Sample_condition_list.Name '50 mM MES pH 5.5' _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' 150 . mM 50708 1 pH 5.5 . pH 50708 1 pressure 1 . atm 50708 1 temperature 298 . K 50708 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50708 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50708 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 50708 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 850' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 50708 _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 . . . . . . . . . . . . . . . . . 50708 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50708 1 3 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50708 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50708 1 5 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50708 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50708 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50708 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 50708 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name NtAcFUS_LC _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 na indirect . . . . . . 50708 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50708 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 50708 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 50708 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name FUSLC_NtAc _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' . . . 50708 1 2 '3D HNCO' . . . 50708 1 3 '3D HN(CA)CO' . . . 50708 1 4 '3D CBCA(CO)NH' . . . 50708 1 5 '3D HN(COCA)CB' . . . 50708 1 6 '3D HNCA' . . . 50708 1 7 '3D HBHA(CO)NH' . . . 50708 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 . . 50708 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 ACE C C 13 174.2 0.00 . . . . . . . 1 ACE C . 50708 1 2 . 1 . 1 1 1 ACE CH3 C 13 53.7 0.00 . . . . . . . 1 ACE CH3 . 50708 1 3 . 1 . 1 2 2 ALA H H 1 8.202 0.00 . . . . . . . 2 ALA H . 50708 1 4 . 1 . 1 2 2 ALA C C 13 178.256 0.01 . . . . . . . 2 ALA C . 50708 1 5 . 1 . 1 2 2 ALA CA C 13 52.523 0.01 . . . . . . . 2 ALA CA . 50708 1 6 . 1 . 1 2 2 ALA CB C 13 19.403 0.01 . . . . . . . 2 ALA CB . 50708 1 7 . 1 . 1 2 2 ALA N N 15 113.064 7.45 . . . . . . . 2 ALA N . 50708 1 8 . 1 . 1 3 3 SER H H 1 8.267 0.00 . . . . . . . 3 SER H . 50708 1 9 . 1 . 1 3 3 SER C C 13 174.428 0.00 . . . . . . . 3 SER C . 50708 1 10 . 1 . 1 3 3 SER CA C 13 58.309 0.01 . . . . . . . 3 SER CA . 50708 1 11 . 1 . 1 3 3 SER CB C 13 63.820 0.03 . . . . . . . 3 SER CB . 50708 1 12 . 1 . 1 3 3 SER N N 15 114.739 0.00 . . . . . . . 3 SER N . 50708 1 13 . 1 . 1 4 4 ASN H H 1 8.320 0.00 . . . . . . . 4 ASN H . 50708 1 14 . 1 . 1 4 4 ASN C C 13 174.626 0.00 . . . . . . . 4 ASN C . 50708 1 15 . 1 . 1 4 4 ASN CA C 13 53.292 0.02 . . . . . . . 4 ASN CA . 50708 1 16 . 1 . 1 4 4 ASN CB C 13 38.956 0.01 . . . . . . . 4 ASN CB . 50708 1 17 . 1 . 1 4 4 ASN N N 15 120.385 0.01 . . . . . . . 4 ASN N . 50708 1 18 . 1 . 1 5 5 ASP H H 1 8.103 0.00 . . . . . . . 5 ASP H . 50708 1 19 . 1 . 1 5 5 ASP C C 13 176.174 0.00 . . . . . . . 5 ASP C . 50708 1 20 . 1 . 1 5 5 ASP CA C 13 54.363 0.03 . . . . . . . 5 ASP CA . 50708 1 21 . 1 . 1 5 5 ASP CB C 13 40.961 0.02 . . . . . . . 5 ASP CB . 50708 1 22 . 1 . 1 5 5 ASP N N 15 120.036 0.00 . . . . . . . 5 ASP N . 50708 1 23 . 1 . 1 6 6 TYR H H 1 8.106 0.00 . . . . . . . 6 TYR H . 50708 1 24 . 1 . 1 6 6 TYR C C 13 176.366 0.00 . . . . . . . 6 TYR C . 50708 1 25 . 1 . 1 6 6 TYR CA C 13 58.380 0.00 . . . . . . . 6 TYR CA . 50708 1 26 . 1 . 1 6 6 TYR CB C 13 38.204 0.00 . . . . . . . 6 TYR CB . 50708 1 27 . 1 . 1 6 6 TYR N N 15 120.721 0.00 . . . . . . . 6 TYR N . 50708 1 28 . 1 . 1 7 7 THR H H 1 7.958 0.00 . . . . . . . 7 THR H . 50708 1 29 . 1 . 1 7 7 THR C C 13 174.636 0.00 . . . . . . . 7 THR C . 50708 1 30 . 1 . 1 7 7 THR CA C 13 62.636 0.00 . . . . . . . 7 THR CA . 50708 1 31 . 1 . 1 7 7 THR CB C 13 69.782 0.02 . . . . . . . 7 THR CB . 50708 1 32 . 1 . 1 7 7 THR N N 15 115.075 0.01 . . . . . . . 7 THR N . 50708 1 33 . 1 . 1 8 8 GLN H H 1 8.117 0.00 . . . . . . . 8 GLN H . 50708 1 34 . 1 . 1 8 8 GLN C C 13 175.969 0.00 . . . . . . . 8 GLN C . 50708 1 35 . 1 . 1 8 8 GLN CA C 13 56.043 0.00 . . . . . . . 8 GLN CA . 50708 1 36 . 1 . 1 8 8 GLN CB C 13 29.049 0.00 . . . . . . . 8 GLN CB . 50708 1 37 . 1 . 1 8 8 GLN N N 15 121.996 0.00 . . . . . . . 8 GLN N . 50708 1 38 . 1 . 1 9 9 GLN H H 1 8.196 0.00 . . . . . . . 9 GLN H . 50708 1 39 . 1 . 1 9 9 GLN C C 13 175.918 0.00 . . . . . . . 9 GLN C . 50708 1 40 . 1 . 1 9 9 GLN CA C 13 56.035 0.00 . . . . . . . 9 GLN CA . 50708 1 41 . 1 . 1 9 9 GLN CB C 13 29.405 0.04 . . . . . . . 9 GLN CB . 50708 1 42 . 1 . 1 9 9 GLN N N 15 121.045 0.01 . . . . . . . 9 GLN N . 50708 1 43 . 1 . 1 10 10 ALA H H 1 8.269 0.00 . . . . . . . 10 ALA H . 50708 1 44 . 1 . 1 10 10 ALA C C 13 178.000 0.00 . . . . . . . 10 ALA C . 50708 1 45 . 1 . 1 10 10 ALA CA C 13 52.884 0.00 . . . . . . . 10 ALA CA . 50708 1 46 . 1 . 1 10 10 ALA CB C 13 19.143 0.00 . . . . . . . 10 ALA CB . 50708 1 47 . 1 . 1 10 10 ALA N N 15 124.891 0.00 . . . . . . . 10 ALA N . 50708 1 48 . 1 . 1 11 11 THR H H 1 7.990 0.00 . . . . . . . 11 THR H . 50708 1 49 . 1 . 1 11 11 THR C C 13 174.598 0.01 . . . . . . . 11 THR C . 50708 1 50 . 1 . 1 11 11 THR CA C 13 62.116 0.00 . . . . . . . 11 THR CA . 50708 1 51 . 1 . 1 11 11 THR CB C 13 69.833 0.04 . . . . . . . 11 THR CB . 50708 1 52 . 1 . 1 11 11 THR N N 15 112.949 0.01 . . . . . . . 11 THR N . 50708 1 53 . 1 . 1 12 12 GLN H H 1 8.217 0.00 . . . . . . . 12 GLN H . 50708 1 54 . 1 . 1 12 12 GLN C C 13 175.685 0.00 . . . . . . . 12 GLN C . 50708 1 55 . 1 . 1 12 12 GLN CA C 13 55.835 0.00 . . . . . . . 12 GLN CA . 50708 1 56 . 1 . 1 12 12 GLN CB C 13 29.354 0.07 . . . . . . . 12 GLN CB . 50708 1 57 . 1 . 1 12 12 GLN N N 15 122.225 0.00 . . . . . . . 12 GLN N . 50708 1 58 . 1 . 1 13 13 SER H H 1 8.171 0.00 . . . . . . . 13 SER H . 50708 1 59 . 1 . 1 13 13 SER C C 13 174.159 0.04 . . . . . . . 13 SER C . 50708 1 60 . 1 . 1 13 13 SER CA C 13 58.262 0.04 . . . . . . . 13 SER CA . 50708 1 61 . 1 . 1 13 13 SER CB C 13 63.855 0.00 . . . . . . . 13 SER CB . 50708 1 62 . 1 . 1 13 13 SER N N 15 116.733 0.04 . . . . . . . 13 SER N . 50708 1 63 . 1 . 1 14 14 TYR H H 1 8.149 0.00 . . . . . . . 14 TYR H . 50708 1 64 . 1 . 1 14 14 TYR C C 13 176.276 0.08 . . . . . . . 14 TYR C . 50708 1 65 . 1 . 1 14 14 TYR CA C 13 58.305 0.18 . . . . . . . 14 TYR CA . 50708 1 66 . 1 . 1 14 14 TYR CB C 13 38.659 0.00 . . . . . . . 14 TYR CB . 50708 1 67 . 1 . 1 14 14 TYR N N 15 122.010 0.00 . . . . . . . 14 TYR N . 50708 1 68 . 1 . 1 15 15 GLY H H 1 8.141 0.00 . . . . . . . 15 GLY H . 50708 1 69 . 1 . 1 15 15 GLY C C 13 173.350 0.00 . . . . . . . 15 GLY C . 50708 1 70 . 1 . 1 15 15 GLY CA C 13 45.194 0.02 . . . . . . . 15 GLY CA . 50708 1 71 . 1 . 1 15 15 GLY N N 15 110.294 0.04 . . . . . . . 15 GLY N . 50708 1 72 . 1 . 1 16 16 ALA H H 1 7.860 0.00 . . . . . . . 16 ALA H . 50708 1 73 . 1 . 1 16 16 ALA C C 13 176.881 0.00 . . . . . . . 16 ALA C . 50708 1 74 . 1 . 1 16 16 ALA CA C 13 52.254 0.01 . . . . . . . 16 ALA CA . 50708 1 75 . 1 . 1 16 16 ALA CB C 13 19.358 0.02 . . . . . . . 16 ALA CB . 50708 1 76 . 1 . 1 16 16 ALA N N 15 123.217 0.02 . . . . . . . 16 ALA N . 50708 1 77 . 1 . 1 17 17 TYR H H 1 7.977 0.00 . . . . . . . 17 TYR H . 50708 1 78 . 1 . 1 17 17 TYR C C 13 174.026 0.00 . . . . . . . 17 TYR C . 50708 1 79 . 1 . 1 17 17 TYR CA C 13 55.746 0.01 . . . . . . . 17 TYR CA . 50708 1 80 . 1 . 1 17 17 TYR CB C 13 38.792 0.00 . . . . . . . 17 TYR CB . 50708 1 81 . 1 . 1 17 17 TYR N N 15 120.021 0.00 . . . . . . . 17 TYR N . 50708 1 82 . 1 . 1 18 18 PRO C C 13 176.902 0.00 . . . . . . . 18 PRO C . 50708 1 83 . 1 . 1 18 18 PRO CA C 13 63.354 0.02 . . . . . . . 18 PRO CA . 50708 1 84 . 1 . 1 18 18 PRO CB C 13 32.028 0.03 . . . . . . . 18 PRO CB . 50708 1 85 . 1 . 1 19 19 THR H H 1 8.059 0.00 . . . . . . . 19 THR H . 50708 1 86 . 1 . 1 19 19 THR C C 13 174.364 0.00 . . . . . . . 19 THR C . 50708 1 87 . 1 . 1 19 19 THR CA C 13 61.919 0.03 . . . . . . . 19 THR CA . 50708 1 88 . 1 . 1 19 19 THR CB C 13 69.972 0.02 . . . . . . . 19 THR CB . 50708 1 89 . 1 . 1 19 19 THR N N 15 114.093 0.01 . . . . . . . 19 THR N . 50708 1 90 . 1 . 1 20 20 GLN H H 1 8.217 0.00 . . . . . . . 20 GLN H . 50708 1 91 . 1 . 1 20 20 GLN C C 13 173.883 0.00 . . . . . . . 20 GLN C . 50708 1 92 . 1 . 1 20 20 GLN CA C 13 53.612 0.01 . . . . . . . 20 GLN CA . 50708 1 93 . 1 . 1 20 20 GLN CB C 13 29.070 0.00 . . . . . . . 20 GLN CB . 50708 1 94 . 1 . 1 20 20 GLN N N 15 123.133 0.01 . . . . . . . 20 GLN N . 50708 1 95 . 1 . 1 21 21 PRO C C 13 177.523 0.00 . . . . . . . 21 PRO C . 50708 1 96 . 1 . 1 21 21 PRO CA C 13 63.491 0.05 . . . . . . . 21 PRO CA . 50708 1 97 . 1 . 1 22 22 GLY H H 1 8.411 0.00 . . . . . . . 22 GLY H . 50708 1 98 . 1 . 1 22 22 GLY C C 13 174.238 0.00 . . . . . . . 22 GLY C . 50708 1 99 . 1 . 1 22 22 GLY CA C 13 45.368 0.03 . . . . . . . 22 GLY CA . 50708 1 100 . 1 . 1 22 22 GLY N N 15 109.443 0.01 . . . . . . . 22 GLY N . 50708 1 101 . 1 . 1 23 23 GLN H H 1 8.080 0.00 . . . . . . . 23 GLN H . 50708 1 102 . 1 . 1 23 23 GLN C C 13 176.384 0.00 . . . . . . . 23 GLN C . 50708 1 103 . 1 . 1 23 23 GLN CA C 13 55.919 0.05 . . . . . . . 23 GLN CA . 50708 1 104 . 1 . 1 23 23 GLN CB C 13 29.480 0.02 . . . . . . . 23 GLN CB . 50708 1 105 . 1 . 1 23 23 GLN N N 15 119.342 0.01 . . . . . . . 23 GLN N . 50708 1 106 . 1 . 1 24 24 GLY H H 1 8.345 0.00 . . . . . . . 24 GLY H . 50708 1 107 . 1 . 1 24 24 GLY C C 13 173.811 0.00 . . . . . . . 24 GLY C . 50708 1 108 . 1 . 1 24 24 GLY CA C 13 45.245 0.03 . . . . . . . 24 GLY CA . 50708 1 109 . 1 . 1 24 24 GLY N N 15 109.680 0.01 . . . . . . . 24 GLY N . 50708 1 110 . 1 . 1 25 25 TYR H H 1 7.962 0.00 . . . . . . . 25 TYR H . 50708 1 111 . 1 . 1 25 25 TYR C C 13 175.956 0.00 . . . . . . . 25 TYR C . 50708 1 112 . 1 . 1 25 25 TYR CA C 13 58.291 0.02 . . . . . . . 25 TYR CA . 50708 1 113 . 1 . 1 25 25 TYR CB C 13 38.894 0.00 . . . . . . . 25 TYR CB . 50708 1 114 . 1 . 1 25 25 TYR N N 15 119.981 0.01 . . . . . . . 25 TYR N . 50708 1 115 . 1 . 1 26 26 SER H H 1 8.149 0.00 . . . . . . . 26 SER H . 50708 1 116 . 1 . 1 26 26 SER C C 13 174.317 0.02 . . . . . . . 26 SER C . 50708 1 117 . 1 . 1 26 26 SER CA C 13 58.131 0.12 . . . . . . . 26 SER CA . 50708 1 118 . 1 . 1 26 26 SER CB C 13 63.902 0.01 . . . . . . . 26 SER CB . 50708 1 119 . 1 . 1 26 26 SER N N 15 117.481 0.01 . . . . . . . 26 SER N . 50708 1 120 . 1 . 1 27 27 GLN H H 1 8.284 0.00 . . . . . . . 27 GLN H . 50708 1 121 . 1 . 1 27 27 GLN C C 13 175.995 0.01 . . . . . . . 27 GLN C . 50708 1 122 . 1 . 1 27 27 GLN CA C 13 56.186 0.05 . . . . . . . 27 GLN CA . 50708 1 123 . 1 . 1 27 27 GLN CB C 13 29.248 0.02 . . . . . . . 27 GLN CB . 50708 1 124 . 1 . 1 27 27 GLN N N 15 122.140 0.01 . . . . . . . 27 GLN N . 50708 1 125 . 1 . 1 28 28 GLN H H 1 8.288 0.00 . . . . . . . 28 GLN H . 50708 1 126 . 1 . 1 28 28 GLN C C 13 176.055 0.00 . . . . . . . 28 GLN C . 50708 1 127 . 1 . 1 28 28 GLN CA C 13 56.140 0.07 . . . . . . . 28 GLN CA . 50708 1 128 . 1 . 1 28 28 GLN CB C 13 29.193 0.34 . . . . . . . 28 GLN CB . 50708 1 129 . 1 . 1 28 28 GLN N N 15 120.955 0.01 . . . . . . . 28 GLN N . 50708 1 130 . 1 . 1 29 29 SER H H 1 8.234 0.00 . . . . . . . 29 SER H . 50708 1 131 . 1 . 1 29 29 SER C C 13 174.482 0.00 . . . . . . . 29 SER C . 50708 1 132 . 1 . 1 29 29 SER CA C 13 58.551 0.02 . . . . . . . 29 SER CA . 50708 1 133 . 1 . 1 29 29 SER CB C 13 63.820 0.05 . . . . . . . 29 SER CB . 50708 1 134 . 1 . 1 29 29 SER N N 15 116.534 0.01 . . . . . . . 29 SER N . 50708 1 135 . 1 . 1 30 30 SER H H 1 8.224 0.00 . . . . . . . 30 SER H . 50708 1 136 . 1 . 1 30 30 SER C C 13 174.037 0.00 . . . . . . . 30 SER C . 50708 1 137 . 1 . 1 30 30 SER CA C 13 58.409 0.10 . . . . . . . 30 SER CA . 50708 1 138 . 1 . 1 30 30 SER CB C 13 63.848 0.02 . . . . . . . 30 SER CB . 50708 1 139 . 1 . 1 30 30 SER N N 15 117.390 0.01 . . . . . . . 30 SER N . 50708 1 140 . 1 . 1 31 31 GLN H H 1 8.156 0.00 . . . . . . . 31 GLN H . 50708 1 141 . 1 . 1 31 31 GLN C C 13 174.008 0.00 . . . . . . . 31 GLN C . 50708 1 142 . 1 . 1 31 31 GLN CA C 13 53.751 0.00 . . . . . . . 31 GLN CA . 50708 1 143 . 1 . 1 31 31 GLN N N 15 122.242 0.00 . . . . . . . 31 GLN N . 50708 1 144 . 1 . 1 33 33 TYR H H 1 8.151 0.00 . . . . . . . 33 TYR H . 50708 1 145 . 1 . 1 33 33 TYR C C 13 176.464 0.00 . . . . . . . 33 TYR C . 50708 1 146 . 1 . 1 33 33 TYR CA C 13 58.186 0.06 . . . . . . . 33 TYR CA . 50708 1 147 . 1 . 1 33 33 TYR CB C 13 38.668 0.02 . . . . . . . 33 TYR CB . 50708 1 148 . 1 . 1 33 33 TYR N N 15 119.937 0.00 . . . . . . . 33 TYR N . 50708 1 149 . 1 . 1 34 34 GLY H H 1 8.130 0.00 . . . . . . . 34 GLY H . 50708 1 150 . 1 . 1 34 34 GLY C C 13 174.034 0.00 . . . . . . . 34 GLY C . 50708 1 151 . 1 . 1 34 34 GLY CA C 13 45.334 0.00 . . . . . . . 34 GLY CA . 50708 1 152 . 1 . 1 34 34 GLY N N 15 110.511 0.00 . . . . . . . 34 GLY N . 50708 1 153 . 1 . 1 35 35 GLN H H 1 8.128 0.00 . . . . . . . 35 GLN H . 50708 1 154 . 1 . 1 35 35 GLN C C 13 178.693 0.00 . . . . . . . 35 GLN C . 50708 1 155 . 1 . 1 35 35 GLN CA C 13 58.555 0.00 . . . . . . . 35 GLN CA . 50708 1 156 . 1 . 1 35 35 GLN CB C 13 32.030 0.00 . . . . . . . 35 GLN CB . 50708 1 157 . 1 . 1 35 35 GLN N N 15 119.700 0.00 . . . . . . . 35 GLN N . 50708 1 158 . 1 . 1 36 36 GLN H H 1 8.418 0.00 . . . . . . . 36 GLN H . 50708 1 159 . 1 . 1 36 36 GLN C C 13 178.502 0.00 . . . . . . . 36 GLN C . 50708 1 160 . 1 . 1 36 36 GLN CA C 13 58.569 0.00 . . . . . . . 36 GLN CA . 50708 1 161 . 1 . 1 36 36 GLN CB C 13 31.996 0.00 . . . . . . . 36 GLN CB . 50708 1 162 . 1 . 1 36 36 GLN N N 15 121.347 0.00 . . . . . . . 36 GLN N . 50708 1 163 . 1 . 1 37 37 SER H H 1 8.247 0.00 . . . . . . . 37 SER H . 50708 1 164 . 1 . 1 37 37 SER C C 13 176.821 0.00 . . . . . . . 37 SER C . 50708 1 165 . 1 . 1 37 37 SER CB C 13 63.860 0.01 . . . . . . . 37 SER CB . 50708 1 166 . 1 . 1 37 37 SER N N 15 116.457 0.00 . . . . . . . 37 SER N . 50708 1 167 . 1 . 1 38 38 TYR H H 1 8.145 0.00 . . . . . . . 38 TYR H . 50708 1 168 . 1 . 1 38 38 TYR C C 13 175.859 0.00 . . . . . . . 38 TYR C . 50708 1 169 . 1 . 1 38 38 TYR CA C 13 56.241 2.07 . . . . . . . 38 TYR CA . 50708 1 170 . 1 . 1 38 38 TYR CB C 13 38.778 0.03 . . . . . . . 38 TYR CB . 50708 1 171 . 1 . 1 38 38 TYR N N 15 122.183 0.02 . . . . . . . 38 TYR N . 50708 1 172 . 1 . 1 39 39 SER H H 1 8.181 0.00 . . . . . . . 39 SER H . 50708 1 173 . 1 . 1 39 39 SER C C 13 174.688 0.00 . . . . . . . 39 SER C . 50708 1 174 . 1 . 1 39 39 SER CA C 13 59.841 1.66 . . . . . . . 39 SER CA . 50708 1 175 . 1 . 1 39 39 SER CB C 13 63.899 0.01 . . . . . . . 39 SER CB . 50708 1 176 . 1 . 1 39 39 SER N N 15 117.767 0.01 . . . . . . . 39 SER N . 50708 1 177 . 1 . 1 40 40 GLY H H 1 7.737 0.00 . . . . . . . 40 GLY H . 50708 1 178 . 1 . 1 40 40 GLY C C 13 173.647 0.00 . . . . . . . 40 GLY C . 50708 1 179 . 1 . 1 40 40 GLY CA C 13 45.317 0.00 . . . . . . . 40 GLY CA . 50708 1 180 . 1 . 1 40 40 GLY N N 15 110.036 0.01 . . . . . . . 40 GLY N . 50708 1 181 . 1 . 1 41 41 TYR H H 1 7.891 0.00 . . . . . . . 41 TYR H . 50708 1 182 . 1 . 1 41 41 TYR C C 13 175.855 0.00 . . . . . . . 41 TYR C . 50708 1 183 . 1 . 1 41 41 TYR CA C 13 58.070 0.07 . . . . . . . 41 TYR CA . 50708 1 184 . 1 . 1 41 41 TYR CB C 13 38.952 0.03 . . . . . . . 41 TYR CB . 50708 1 185 . 1 . 1 41 41 TYR N N 15 119.889 0.01 . . . . . . . 41 TYR N . 50708 1 186 . 1 . 1 42 42 SER H H 1 8.105 0.00 . . . . . . . 42 SER H . 50708 1 187 . 1 . 1 42 42 SER C C 13 174.108 0.01 . . . . . . . 42 SER C . 50708 1 188 . 1 . 1 42 42 SER CA C 13 58.092 0.12 . . . . . . . 42 SER CA . 50708 1 189 . 1 . 1 42 42 SER CB C 13 63.889 0.03 . . . . . . . 42 SER CB . 50708 1 190 . 1 . 1 42 42 SER N N 15 117.719 0.01 . . . . . . . 42 SER N . 50708 1 191 . 1 . 1 43 43 GLN H H 1 8.266 0.00 . . . . . . . 43 GLN H . 50708 1 192 . 1 . 1 43 43 GLN C C 13 175.966 0.00 . . . . . . . 43 GLN C . 50708 1 193 . 1 . 1 43 43 GLN CA C 13 55.980 0.02 . . . . . . . 43 GLN CA . 50708 1 194 . 1 . 1 43 43 GLN CB C 13 29.412 0.05 . . . . . . . 43 GLN CB . 50708 1 195 . 1 . 1 43 43 GLN N N 15 122.179 0.00 . . . . . . . 43 GLN N . 50708 1 196 . 1 . 1 44 44 SER H H 1 8.261 0.00 . . . . . . . 44 SER H . 50708 1 197 . 1 . 1 44 44 SER C C 13 174.850 0.02 . . . . . . . 44 SER C . 50708 1 198 . 1 . 1 44 44 SER CA C 13 58.458 0.05 . . . . . . . 44 SER CA . 50708 1 199 . 1 . 1 44 44 SER CB C 13 63.851 0.01 . . . . . . . 44 SER CB . 50708 1 200 . 1 . 1 44 44 SER N N 15 116.622 0.01 . . . . . . . 44 SER N . 50708 1 201 . 1 . 1 45 45 THR H H 1 8.095 0.00 . . . . . . . 45 THR H . 50708 1 202 . 1 . 1 45 45 THR C C 13 174.290 0.01 . . . . . . . 45 THR C . 50708 1 203 . 1 . 1 45 45 THR CA C 13 61.997 0.03 . . . . . . . 45 THR CA . 50708 1 204 . 1 . 1 45 45 THR CB C 13 69.663 0.02 . . . . . . . 45 THR CB . 50708 1 205 . 1 . 1 45 45 THR N N 15 115.195 0.02 . . . . . . . 45 THR N . 50708 1 206 . 1 . 1 46 46 ASP H H 1 8.247 0.00 . . . . . . . 46 ASP H . 50708 1 207 . 1 . 1 46 46 ASP C C 13 176.748 0.00 . . . . . . . 46 ASP C . 50708 1 208 . 1 . 1 46 46 ASP CA C 13 54.381 0.06 . . . . . . . 46 ASP CA . 50708 1 209 . 1 . 1 46 46 ASP CB C 13 41.133 0.01 . . . . . . . 46 ASP CB . 50708 1 210 . 1 . 1 46 46 ASP N N 15 122.524 0.02 . . . . . . . 46 ASP N . 50708 1 211 . 1 . 1 47 47 THR H H 1 8.135 0.00 . . . . . . . 47 THR H . 50708 1 212 . 1 . 1 47 47 THR C C 13 175.140 0.01 . . . . . . . 47 THR C . 50708 1 213 . 1 . 1 47 47 THR CA C 13 61.482 0.92 . . . . . . . 47 THR CA . 50708 1 214 . 1 . 1 47 47 THR CB C 13 69.420 0.05 . . . . . . . 47 THR CB . 50708 1 215 . 1 . 1 47 47 THR N N 15 114.375 0.02 . . . . . . . 47 THR N . 50708 1 216 . 1 . 1 48 48 SER H H 1 8.293 0.00 . . . . . . . 48 SER H . 50708 1 217 . 1 . 1 48 48 SER C C 13 175.982 0.61 . . . . . . . 48 SER C . 50708 1 218 . 1 . 1 48 48 SER CA C 13 59.445 0.05 . . . . . . . 48 SER CA . 50708 1 219 . 1 . 1 48 48 SER CB C 13 63.872 0.02 . . . . . . . 48 SER CB . 50708 1 220 . 1 . 1 48 48 SER N N 15 118.086 0.02 . . . . . . . 48 SER N . 50708 1 221 . 1 . 1 49 49 GLY H H 1 8.239 0.00 . . . . . . . 49 GLY H . 50708 1 222 . 1 . 1 49 49 GLY C C 13 174.095 0.02 . . . . . . . 49 GLY C . 50708 1 223 . 1 . 1 49 49 GLY CA C 13 45.334 0.04 . . . . . . . 49 GLY CA . 50708 1 224 . 1 . 1 49 49 GLY N N 15 110.222 0.03 . . . . . . . 49 GLY N . 50708 1 225 . 1 . 1 50 50 TYR H H 1 7.970 0.00 . . . . . . . 50 TYR H . 50708 1 226 . 1 . 1 50 50 TYR C C 13 176.522 0.08 . . . . . . . 50 TYR C . 50708 1 227 . 1 . 1 50 50 TYR CA C 13 58.309 0.01 . . . . . . . 50 TYR CA . 50708 1 228 . 1 . 1 50 50 TYR CB C 13 38.740 0.08 . . . . . . . 50 TYR CB . 50708 1 229 . 1 . 1 50 50 TYR N N 15 120.095 0.02 . . . . . . . 50 TYR N . 50708 1 230 . 1 . 1 51 51 GLY H H 1 8.278 0.00 . . . . . . . 51 GLY H . 50708 1 231 . 1 . 1 51 51 GLY C C 13 174.236 0.10 . . . . . . . 51 GLY C . 50708 1 232 . 1 . 1 51 51 GLY CA C 13 45.389 0.03 . . . . . . . 51 GLY CA . 50708 1 233 . 1 . 1 51 51 GLY N N 15 110.517 0.06 . . . . . . . 51 GLY N . 50708 1 234 . 1 . 1 52 52 GLN H H 1 8.032 0.00 . . . . . . . 52 GLN H . 50708 1 235 . 1 . 1 52 52 GLN C C 13 176.214 0.00 . . . . . . . 52 GLN C . 50708 1 236 . 1 . 1 52 52 GLN CA C 13 55.938 0.03 . . . . . . . 52 GLN CA . 50708 1 237 . 1 . 1 52 52 GLN CB C 13 29.466 0.06 . . . . . . . 52 GLN CB . 50708 1 238 . 1 . 1 52 52 GLN N N 15 119.544 0.03 . . . . . . . 52 GLN N . 50708 1 239 . 1 . 1 53 53 SER H H 1 8.314 0.00 . . . . . . . 53 SER H . 50708 1 240 . 1 . 1 53 53 SER C C 13 174.577 0.01 . . . . . . . 53 SER C . 50708 1 241 . 1 . 1 53 53 SER CA C 13 58.450 0.00 . . . . . . . 53 SER CA . 50708 1 242 . 1 . 1 53 53 SER CB C 13 63.762 0.00 . . . . . . . 53 SER CB . 50708 1 243 . 1 . 1 53 53 SER N N 15 116.667 0.23 . . . . . . . 53 SER N . 50708 1 244 . 1 . 1 54 54 SER H H 1 8.171 0.00 . . . . . . . 54 SER H . 50708 1 245 . 1 . 1 54 54 SER C C 13 174.192 0.06 . . . . . . . 54 SER C . 50708 1 246 . 1 . 1 54 54 SER CA C 13 58.487 0.05 . . . . . . . 54 SER CA . 50708 1 247 . 1 . 1 54 54 SER CB C 13 63.819 0.03 . . . . . . . 54 SER CB . 50708 1 248 . 1 . 1 54 54 SER N N 15 117.283 0.02 . . . . . . . 54 SER N . 50708 1 249 . 1 . 1 55 55 TYR H H 1 8.038 0.00 . . . . . . . 55 TYR H . 50708 1 250 . 1 . 1 55 55 TYR C C 13 175.846 0.01 . . . . . . . 55 TYR C . 50708 1 251 . 1 . 1 55 55 TYR CA C 13 58.066 0.13 . . . . . . . 55 TYR CA . 50708 1 252 . 1 . 1 55 55 TYR CB C 13 38.696 0.05 . . . . . . . 55 TYR CB . 50708 1 253 . 1 . 1 55 55 TYR N N 15 121.709 0.03 . . . . . . . 55 TYR N . 50708 1 254 . 1 . 1 56 56 SER H H 1 8.014 0.00 . . . . . . . 56 SER H . 50708 1 255 . 1 . 1 56 56 SER C C 13 175.358 0.70 . . . . . . . 56 SER C . 50708 1 256 . 1 . 1 56 56 SER CA C 13 58.297 0.27 . . . . . . . 56 SER CA . 50708 1 257 . 1 . 1 56 56 SER CB C 13 63.978 0.03 . . . . . . . 56 SER CB . 50708 1 258 . 1 . 1 56 56 SER N N 15 116.888 0.01 . . . . . . . 56 SER N . 50708 1 259 . 1 . 1 57 57 SER H H 1 8.112 0.00 . . . . . . . 57 SER H . 50708 1 260 . 1 . 1 57 57 SER C C 13 174.203 0.05 . . . . . . . 57 SER C . 50708 1 261 . 1 . 1 57 57 SER CA C 13 58.640 0.22 . . . . . . . 57 SER CA . 50708 1 262 . 1 . 1 57 57 SER CB C 13 63.849 0.27 . . . . . . . 57 SER CB . 50708 1 263 . 1 . 1 57 57 SER N N 15 117.623 0.07 . . . . . . . 57 SER N . 50708 1 264 . 1 . 1 58 58 TYR H H 1 8.063 0.00 . . . . . . . 58 TYR H . 50708 1 265 . 1 . 1 58 58 TYR CA C 13 58.355 0.03 . . . . . . . 58 TYR CA . 50708 1 266 . 1 . 1 58 58 TYR CB C 13 38.604 0.03 . . . . . . . 58 TYR CB . 50708 1 267 . 1 . 1 58 58 TYR N N 15 121.759 0.01 . . . . . . . 58 TYR N . 50708 1 268 . 1 . 1 59 59 GLY H H 1 8.171 0.00 . . . . . . . 59 GLY H . 50708 1 269 . 1 . 1 59 59 GLY C C 13 174.147 0.01 . . . . . . . 59 GLY C . 50708 1 270 . 1 . 1 59 59 GLY CA C 13 45.399 0.01 . . . . . . . 59 GLY CA . 50708 1 271 . 1 . 1 59 59 GLY N N 15 110.290 0.00 . . . . . . . 59 GLY N . 50708 1 272 . 1 . 1 60 60 GLN H H 1 8.068 0.00 . . . . . . . 60 GLN H . 50708 1 273 . 1 . 1 60 60 GLN C C 13 176.145 0.10 . . . . . . . 60 GLN C . 50708 1 274 . 1 . 1 60 60 GLN CA C 13 55.956 0.02 . . . . . . . 60 GLN CA . 50708 1 275 . 1 . 1 60 60 GLN CB C 13 29.395 0.05 . . . . . . . 60 GLN CB . 50708 1 276 . 1 . 1 60 60 GLN N N 15 119.623 0.01 . . . . . . . 60 GLN N . 50708 1 277 . 1 . 1 61 61 SER H H 1 8.276 0.00 . . . . . . . 61 SER H . 50708 1 278 . 1 . 1 61 61 SER C C 13 174.556 0.01 . . . . . . . 61 SER C . 50708 1 279 . 1 . 1 61 61 SER CA C 13 58.527 0.04 . . . . . . . 61 SER CA . 50708 1 280 . 1 . 1 61 61 SER CB C 13 63.817 0.03 . . . . . . . 61 SER CB . 50708 1 281 . 1 . 1 61 61 SER N N 15 116.617 0.01 . . . . . . . 61 SER N . 50708 1 282 . 1 . 1 62 62 GLN H H 1 8.328 0.00 . . . . . . . 62 GLN H . 50708 1 283 . 1 . 1 62 62 GLN C C 13 175.698 0.02 . . . . . . . 62 GLN C . 50708 1 284 . 1 . 1 62 62 GLN CA C 13 56.010 0.03 . . . . . . . 62 GLN CA . 50708 1 285 . 1 . 1 62 62 GLN CB C 13 29.367 0.00 . . . . . . . 62 GLN CB . 50708 1 286 . 1 . 1 62 62 GLN N N 15 121.483 0.01 . . . . . . . 62 GLN N . 50708 1 287 . 1 . 1 63 63 ASN H H 1 8.362 0.00 . . . . . . . 63 ASN H . 50708 1 288 . 1 . 1 63 63 ASN C C 13 175.398 0.00 . . . . . . . 63 ASN C . 50708 1 289 . 1 . 1 63 63 ASN CA C 13 53.387 0.04 . . . . . . . 63 ASN CA . 50708 1 290 . 1 . 1 63 63 ASN CB C 13 38.781 0.02 . . . . . . . 63 ASN CB . 50708 1 291 . 1 . 1 63 63 ASN N N 15 119.550 0.01 . . . . . . . 63 ASN N . 50708 1 292 . 1 . 1 64 64 THR H H 1 8.043 0.00 . . . . . . . 64 THR H . 50708 1 293 . 1 . 1 64 64 THR C C 13 175.028 0.00 . . . . . . . 64 THR C . 50708 1 294 . 1 . 1 64 64 THR CA C 13 62.073 0.02 . . . . . . . 64 THR CA . 50708 1 295 . 1 . 1 64 64 THR CB C 13 69.758 0.03 . . . . . . . 64 THR CB . 50708 1 296 . 1 . 1 64 64 THR N N 15 113.645 0.01 . . . . . . . 64 THR N . 50708 1 297 . 1 . 1 65 65 GLY H H 1 8.250 0.00 . . . . . . . 65 GLY H . 50708 1 298 . 1 . 1 65 65 GLY C C 13 173.895 0.00 . . . . . . . 65 GLY C . 50708 1 299 . 1 . 1 65 65 GLY CA C 13 45.242 0.08 . . . . . . . 65 GLY CA . 50708 1 300 . 1 . 1 65 65 GLY N N 15 110.447 0.01 . . . . . . . 65 GLY N . 50708 1 301 . 1 . 1 66 66 TYR H H 1 8.002 0.00 . . . . . . . 66 TYR H . 50708 1 302 . 1 . 1 66 66 TYR C C 13 176.573 0.08 . . . . . . . 66 TYR C . 50708 1 303 . 1 . 1 66 66 TYR CA C 13 58.573 0.25 . . . . . . . 66 TYR CA . 50708 1 304 . 1 . 1 66 66 TYR N N 15 120.087 0.01 . . . . . . . 66 TYR N . 50708 1 305 . 1 . 1 67 67 GLY H H 1 8.280 0.00 . . . . . . . 67 GLY H . 50708 1 306 . 1 . 1 67 67 GLY C C 13 174.388 0.01 . . . . . . . 67 GLY C . 50708 1 307 . 1 . 1 67 67 GLY CA C 13 45.380 0.03 . . . . . . . 67 GLY CA . 50708 1 308 . 1 . 1 67 67 GLY N N 15 110.647 0.01 . . . . . . . 67 GLY N . 50708 1 309 . 1 . 1 68 68 THR H H 1 7.972 0.00 . . . . . . . 68 THR H . 50708 1 310 . 1 . 1 68 68 THR C C 13 174.734 0.01 . . . . . . . 68 THR C . 50708 1 311 . 1 . 1 68 68 THR CA C 13 62.009 0.08 . . . . . . . 68 THR CA . 50708 1 312 . 1 . 1 68 68 THR CB C 13 69.826 0.03 . . . . . . . 68 THR CB . 50708 1 313 . 1 . 1 68 68 THR N N 15 113.333 0.02 . . . . . . . 68 THR N . 50708 1 314 . 1 . 1 69 69 GLN H H 1 8.371 0.00 . . . . . . . 69 GLN H . 50708 1 315 . 1 . 1 69 69 GLN C C 13 175.857 0.01 . . . . . . . 69 GLN C . 50708 1 316 . 1 . 1 69 69 GLN CA C 13 55.942 0.04 . . . . . . . 69 GLN CA . 50708 1 317 . 1 . 1 69 69 GLN CB C 13 29.422 0.03 . . . . . . . 69 GLN CB . 50708 1 318 . 1 . 1 69 69 GLN N N 15 122.198 0.02 . . . . . . . 69 GLN N . 50708 1 319 . 1 . 1 70 70 SER H H 1 8.272 0.00 . . . . . . . 70 SER H . 50708 1 320 . 1 . 1 70 70 SER C C 13 174.183 0.01 . . . . . . . 70 SER C . 50708 1 321 . 1 . 1 70 70 SER CA C 13 58.405 0.07 . . . . . . . 70 SER CA . 50708 1 322 . 1 . 1 70 70 SER CB C 13 63.892 0.03 . . . . . . . 70 SER CB . 50708 1 323 . 1 . 1 70 70 SER N N 15 116.957 0.02 . . . . . . . 70 SER N . 50708 1 324 . 1 . 1 71 71 THR H H 1 8.062 0.00 . . . . . . . 71 THR H . 50708 1 325 . 1 . 1 71 71 THR C C 13 172.880 0.00 . . . . . . . 71 THR C . 50708 1 326 . 1 . 1 71 71 THR CA C 13 59.820 0.02 . . . . . . . 71 THR CA . 50708 1 327 . 1 . 1 71 71 THR CB C 13 69.731 0.00 . . . . . . . 71 THR CB . 50708 1 328 . 1 . 1 71 71 THR N N 15 117.419 0.01 . . . . . . . 71 THR N . 50708 1 329 . 1 . 1 72 72 PRO C C 13 176.901 0.00 . . . . . . . 72 PRO C . 50708 1 330 . 1 . 1 72 72 PRO CA C 13 63.481 0.01 . . . . . . . 72 PRO CA . 50708 1 331 . 1 . 1 72 72 PRO CB C 13 32.023 0.00 . . . . . . . 72 PRO CB . 50708 1 332 . 1 . 1 73 73 GLN H H 1 8.351 0.00 . . . . . . . 73 GLN H . 50708 1 333 . 1 . 1 73 73 GLN C C 13 176.433 0.00 . . . . . . . 73 GLN C . 50708 1 334 . 1 . 1 73 73 GLN CA C 13 56.125 0.03 . . . . . . . 73 GLN CA . 50708 1 335 . 1 . 1 73 73 GLN CB C 13 29.385 0.04 . . . . . . . 73 GLN CB . 50708 1 336 . 1 . 1 73 73 GLN N N 15 120.274 0.01 . . . . . . . 73 GLN N . 50708 1 337 . 1 . 1 74 74 GLY H H 1 8.237 0.00 . . . . . . . 74 GLY H . 50708 1 338 . 1 . 1 74 74 GLY C C 13 173.967 0.05 . . . . . . . 74 GLY C . 50708 1 339 . 1 . 1 74 74 GLY CA C 13 45.163 0.03 . . . . . . . 74 GLY CA . 50708 1 340 . 1 . 1 74 74 GLY N N 15 109.684 0.36 . . . . . . . 74 GLY N . 50708 1 341 . 1 . 1 75 75 TYR H H 1 8.057 0.00 . . . . . . . 75 TYR H . 50708 1 342 . 1 . 1 75 75 TYR C C 13 176.539 0.04 . . . . . . . 75 TYR C . 50708 1 343 . 1 . 1 75 75 TYR CA C 13 58.340 0.02 . . . . . . . 75 TYR CA . 50708 1 344 . 1 . 1 75 75 TYR CB C 13 39.523 1.05 . . . . . . . 75 TYR CB . 50708 1 345 . 1 . 1 75 75 TYR N N 15 120.109 0.02 . . . . . . . 75 TYR N . 50708 1 346 . 1 . 1 76 76 GLY H H 1 8.294 0.00 . . . . . . . 76 GLY H . 50708 1 347 . 1 . 1 76 76 GLY C C 13 174.231 0.01 . . . . . . . 76 GLY C . 50708 1 348 . 1 . 1 76 76 GLY CA C 13 45.368 0.03 . . . . . . . 76 GLY CA . 50708 1 349 . 1 . 1 76 76 GLY N N 15 110.794 0.02 . . . . . . . 76 GLY N . 50708 1 350 . 1 . 1 77 77 SER H H 1 8.126 0.00 . . . . . . . 77 SER H . 50708 1 351 . 1 . 1 77 77 SER C C 13 175.131 0.00 . . . . . . . 77 SER C . 50708 1 352 . 1 . 1 77 77 SER CA C 13 58.467 0.03 . . . . . . . 77 SER CA . 50708 1 353 . 1 . 1 77 77 SER CB C 13 63.950 0.05 . . . . . . . 77 SER CB . 50708 1 354 . 1 . 1 77 77 SER N N 15 115.530 0.00 . . . . . . . 77 SER N . 50708 1 355 . 1 . 1 78 78 THR H H 1 8.156 0.00 . . . . . . . 78 THR H . 50708 1 356 . 1 . 1 78 78 THR C C 13 175.202 0.01 . . . . . . . 78 THR C . 50708 1 357 . 1 . 1 78 78 THR CA C 13 62.017 0.05 . . . . . . . 78 THR CA . 50708 1 358 . 1 . 1 78 78 THR CB C 13 69.777 0.03 . . . . . . . 78 THR CB . 50708 1 359 . 1 . 1 78 78 THR N N 15 114.736 0.01 . . . . . . . 78 THR N . 50708 1 360 . 1 . 1 79 79 GLY H H 1 8.245 0.00 . . . . . . . 79 GLY H . 50708 1 361 . 1 . 1 79 79 GLY C C 13 174.404 0.01 . . . . . . . 79 GLY C . 50708 1 362 . 1 . 1 79 79 GLY CA C 13 45.300 0.13 . . . . . . . 79 GLY CA . 50708 1 363 . 1 . 1 79 79 GLY N N 15 110.630 0.01 . . . . . . . 79 GLY N . 50708 1 364 . 1 . 1 80 80 GLY H H 1 8.074 0.00 . . . . . . . 80 GLY H . 50708 1 365 . 1 . 1 80 80 GLY C C 13 174.001 0.00 . . . . . . . 80 GLY C . 50708 1 366 . 1 . 1 80 80 GLY CA C 13 45.755 0.00 . . . . . . . 80 GLY CA . 50708 1 367 . 1 . 1 80 80 GLY N N 15 108.274 0.01 . . . . . . . 80 GLY N . 50708 1 368 . 1 . 1 81 81 TYR H H 1 8.082 0.00 . . . . . . . 81 TYR H . 50708 1 369 . 1 . 1 81 81 TYR C C 13 176.567 0.00 . . . . . . . 81 TYR C . 50708 1 370 . 1 . 1 81 81 TYR CA C 13 58.346 0.04 . . . . . . . 81 TYR CA . 50708 1 371 . 1 . 1 81 81 TYR CB C 13 38.776 0.02 . . . . . . . 81 TYR CB . 50708 1 372 . 1 . 1 81 81 TYR N N 15 119.996 0.10 . . . . . . . 81 TYR N . 50708 1 373 . 1 . 1 82 82 GLY H H 1 8.295 0.00 . . . . . . . 82 GLY H . 50708 1 374 . 1 . 1 82 82 GLY C C 13 174.225 0.01 . . . . . . . 82 GLY C . 50708 1 375 . 1 . 1 82 82 GLY CA C 13 45.389 0.01 . . . . . . . 82 GLY CA . 50708 1 376 . 1 . 1 82 82 GLY N N 15 110.863 0.09 . . . . . . . 82 GLY N . 50708 1 377 . 1 . 1 83 83 SER H H 1 8.080 0.00 . . . . . . . 83 SER H . 50708 1 378 . 1 . 1 83 83 SER C C 13 174.854 0.00 . . . . . . . 83 SER C . 50708 1 379 . 1 . 1 83 83 SER CA C 13 58.433 0.00 . . . . . . . 83 SER CA . 50708 1 380 . 1 . 1 83 83 SER CB C 13 63.968 0.00 . . . . . . . 83 SER CB . 50708 1 381 . 1 . 1 83 83 SER N N 15 115.459 0.01 . . . . . . . 83 SER N . 50708 1 382 . 1 . 1 84 84 SER H H 1 8.406 0.00 . . . . . . . 84 SER H . 50708 1 383 . 1 . 1 84 84 SER C C 13 174.706 0.00 . . . . . . . 84 SER C . 50708 1 384 . 1 . 1 84 84 SER CA C 13 58.693 0.03 . . . . . . . 84 SER CA . 50708 1 385 . 1 . 1 84 84 SER CB C 13 63.772 0.01 . . . . . . . 84 SER CB . 50708 1 386 . 1 . 1 84 84 SER N N 15 117.569 0.01 . . . . . . . 84 SER N . 50708 1 387 . 1 . 1 85 85 GLN H H 1 8.309 0.00 . . . . . . . 85 GLN H . 50708 1 388 . 1 . 1 85 85 GLN C C 13 176.136 0.00 . . . . . . . 85 GLN C . 50708 1 389 . 1 . 1 85 85 GLN CA C 13 56.086 0.01 . . . . . . . 85 GLN CA . 50708 1 390 . 1 . 1 85 85 GLN CB C 13 29.306 0.00 . . . . . . . 85 GLN CB . 50708 1 391 . 1 . 1 85 85 GLN N N 15 121.720 0.01 . . . . . . . 85 GLN N . 50708 1 392 . 1 . 1 86 86 SER H H 1 8.285 0.00 . . . . . . . 86 SER H . 50708 1 393 . 1 . 1 86 86 SER C C 13 177.463 0.00 . . . . . . . 86 SER C . 50708 1 394 . 1 . 1 86 86 SER CA C 13 61.108 0.00 . . . . . . . 86 SER CA . 50708 1 395 . 1 . 1 86 86 SER CB C 13 66.452 0.00 . . . . . . . 86 SER CB . 50708 1 396 . 1 . 1 86 86 SER N N 15 116.361 0.00 . . . . . . . 86 SER N . 50708 1 397 . 1 . 1 87 87 SER H H 1 8.319 0.00 . . . . . . . 87 SER H . 50708 1 398 . 1 . 1 87 87 SER C C 13 177.331 0.00 . . . . . . . 87 SER C . 50708 1 399 . 1 . 1 87 87 SER CA C 13 61.196 0.00 . . . . . . . 87 SER CA . 50708 1 400 . 1 . 1 87 87 SER CB C 13 66.353 0.00 . . . . . . . 87 SER CB . 50708 1 401 . 1 . 1 87 87 SER N N 15 117.490 0.00 . . . . . . . 87 SER N . 50708 1 402 . 1 . 1 88 88 GLN H H 1 8.326 0.00 . . . . . . . 88 GLN H . 50708 1 403 . 1 . 1 88 88 GLN C C 13 178.814 0.00 . . . . . . . 88 GLN C . 50708 1 404 . 1 . 1 88 88 GLN CA C 13 58.643 0.00 . . . . . . . 88 GLN CA . 50708 1 405 . 1 . 1 88 88 GLN CB C 13 31.930 0.00 . . . . . . . 88 GLN CB . 50708 1 406 . 1 . 1 88 88 GLN N N 15 121.762 0.00 . . . . . . . 88 GLN N . 50708 1 407 . 1 . 1 89 89 SER H H 1 8.269 0.00 . . . . . . . 89 SER H . 50708 1 408 . 1 . 1 89 89 SER C C 13 177.299 0.00 . . . . . . . 89 SER C . 50708 1 409 . 1 . 1 89 89 SER CA C 13 61.108 0.00 . . . . . . . 89 SER CA . 50708 1 410 . 1 . 1 89 89 SER CB C 13 66.440 0.00 . . . . . . . 89 SER CB . 50708 1 411 . 1 . 1 89 89 SER N N 15 116.492 0.00 . . . . . . . 89 SER N . 50708 1 412 . 1 . 1 90 90 SER H H 1 8.225 0.00 . . . . . . . 90 SER H . 50708 1 413 . 1 . 1 90 90 SER C C 13 176.949 0.00 . . . . . . . 90 SER C . 50708 1 414 . 1 . 1 90 90 SER CA C 13 61.026 0.00 . . . . . . . 90 SER CA . 50708 1 415 . 1 . 1 90 90 SER CB C 13 66.381 0.00 . . . . . . . 90 SER CB . 50708 1 416 . 1 . 1 90 90 SER N N 15 117.486 0.00 . . . . . . . 90 SER N . 50708 1 417 . 1 . 1 91 91 TYR H H 1 8.127 0.00 . . . . . . . 91 TYR H . 50708 1 418 . 1 . 1 91 91 TYR C C 13 179.152 0.00 . . . . . . . 91 TYR C . 50708 1 419 . 1 . 1 91 91 TYR CA C 13 60.950 0.00 . . . . . . . 91 TYR CA . 50708 1 420 . 1 . 1 91 91 TYR CB C 13 41.172 0.00 . . . . . . . 91 TYR CB . 50708 1 421 . 1 . 1 91 91 TYR N N 15 121.840 0.00 . . . . . . . 91 TYR N . 50708 1 422 . 1 . 1 92 92 GLY H H 1 8.232 0.00 . . . . . . . 92 GLY H . 50708 1 423 . 1 . 1 92 92 GLY C C 13 176.856 0.00 . . . . . . . 92 GLY C . 50708 1 424 . 1 . 1 92 92 GLY CA C 13 47.992 0.00 . . . . . . . 92 GLY CA . 50708 1 425 . 1 . 1 92 92 GLY N N 15 110.337 0.00 . . . . . . . 92 GLY N . 50708 1 426 . 1 . 1 93 93 GLN H H 1 8.125 0.00 . . . . . . . 93 GLN H . 50708 1 427 . 1 . 1 93 93 GLN C C 13 178.894 0.00 . . . . . . . 93 GLN C . 50708 1 428 . 1 . 1 93 93 GLN CA C 13 58.535 0.00 . . . . . . . 93 GLN CA . 50708 1 429 . 1 . 1 93 93 GLN CB C 13 32.004 0.00 . . . . . . . 93 GLN CB . 50708 1 430 . 1 . 1 93 93 GLN N N 15 119.588 0.00 . . . . . . . 93 GLN N . 50708 1 431 . 1 . 1 95 95 SER H H 1 8.227 0.00 . . . . . . . 95 SER H . 50708 1 432 . 1 . 1 95 95 SER C C 13 174.272 0.00 . . . . . . . 95 SER C . 50708 1 433 . 1 . 1 95 95 SER CA C 13 58.539 0.01 . . . . . . . 95 SER CA . 50708 1 434 . 1 . 1 95 95 SER CB C 13 63.870 0.00 . . . . . . . 95 SER CB . 50708 1 435 . 1 . 1 95 95 SER N N 15 116.425 0.02 . . . . . . . 95 SER N . 50708 1 436 . 1 . 1 96 96 SER H H 1 8.076 0.00 . . . . . . . 96 SER H . 50708 1 437 . 1 . 1 96 96 SER C C 13 173.462 0.00 . . . . . . . 96 SER C . 50708 1 438 . 1 . 1 96 96 SER CA C 13 58.266 0.02 . . . . . . . 96 SER CA . 50708 1 439 . 1 . 1 96 96 SER CB C 13 63.861 0.03 . . . . . . . 96 SER CB . 50708 1 440 . 1 . 1 96 96 SER N N 15 116.969 0.01 . . . . . . . 96 SER N . 50708 1 441 . 1 . 1 97 97 TYR H H 1 8.010 0.00 . . . . . . . 97 TYR H . 50708 1 442 . 1 . 1 97 97 TYR C C 13 174.083 0.00 . . . . . . . 97 TYR C . 50708 1 443 . 1 . 1 97 97 TYR CA C 13 55.677 0.01 . . . . . . . 97 TYR CA . 50708 1 444 . 1 . 1 97 97 TYR CB C 13 38.248 0.00 . . . . . . . 97 TYR CB . 50708 1 445 . 1 . 1 97 97 TYR N N 15 122.661 0.00 . . . . . . . 97 TYR N . 50708 1 446 . 1 . 1 98 98 PRO C C 13 177.172 0.00 . . . . . . . 98 PRO C . 50708 1 447 . 1 . 1 98 98 PRO CA C 13 63.721 0.04 . . . . . . . 98 PRO CA . 50708 1 448 . 1 . 1 98 98 PRO CB C 13 31.798 0.01 . . . . . . . 98 PRO CB . 50708 1 449 . 1 . 1 99 99 GLY H H 1 7.828 0.01 . . . . . . . 99 GLY H . 50708 1 450 . 1 . 1 99 99 GLY C C 13 173.890 0.00 . . . . . . . 99 GLY C . 50708 1 451 . 1 . 1 99 99 GLY CA C 13 45.212 0.04 . . . . . . . 99 GLY CA . 50708 1 452 . 1 . 1 99 99 GLY N N 15 108.477 0.02 . . . . . . . 99 GLY N . 50708 1 453 . 1 . 1 100 100 TYR H H 1 7.844 0.00 . . . . . . . 100 TYR H . 50708 1 454 . 1 . 1 100 100 TYR C C 13 176.422 0.00 . . . . . . . 100 TYR C . 50708 1 455 . 1 . 1 100 100 TYR CA C 13 58.341 0.04 . . . . . . . 100 TYR CA . 50708 1 456 . 1 . 1 100 100 TYR CB C 13 38.727 0.03 . . . . . . . 100 TYR CB . 50708 1 457 . 1 . 1 100 100 TYR N N 15 119.928 0.02 . . . . . . . 100 TYR N . 50708 1 458 . 1 . 1 101 101 GLY H H 1 8.275 0.00 . . . . . . . 101 GLY H . 50708 1 459 . 1 . 1 101 101 GLY C C 13 173.910 0.01 . . . . . . . 101 GLY C . 50708 1 460 . 1 . 1 101 101 GLY CA C 13 45.334 0.03 . . . . . . . 101 GLY CA . 50708 1 461 . 1 . 1 101 101 GLY N N 15 110.990 0.01 . . . . . . . 101 GLY N . 50708 1 462 . 1 . 1 102 102 GLN H H 1 8.016 0.01 . . . . . . . 102 GLN H . 50708 1 463 . 1 . 1 102 102 GLN C C 13 175.703 0.00 . . . . . . . 102 GLN C . 50708 1 464 . 1 . 1 102 102 GLN CA C 13 55.733 0.14 . . . . . . . 102 GLN CA . 50708 1 465 . 1 . 1 102 102 GLN CB C 13 29.528 0.05 . . . . . . . 102 GLN CB . 50708 1 466 . 1 . 1 102 102 GLN N N 15 119.465 0.01 . . . . . . . 102 GLN N . 50708 1 467 . 1 . 1 103 103 GLN H H 1 8.337 0.00 . . . . . . . 103 GLN H . 50708 1 468 . 1 . 1 103 103 GLN C C 13 176.505 0.00 . . . . . . . 103 GLN C . 50708 1 469 . 1 . 1 103 103 GLN CA C 13 53.705 0.02 . . . . . . . 103 GLN CA . 50708 1 470 . 1 . 1 103 103 GLN CB C 13 28.742 0.00 . . . . . . . 103 GLN CB . 50708 1 471 . 1 . 1 103 103 GLN N N 15 122.572 0.00 . . . . . . . 103 GLN N . 50708 1 472 . 1 . 1 104 104 PRO C C 13 176.128 0.00 . . . . . . . 104 PRO C . 50708 1 473 . 1 . 1 105 105 ALA H H 1 8.296 0.00 . . . . . . . 105 ALA H . 50708 1 474 . 1 . 1 105 105 ALA C C 13 175.687 0.00 . . . . . . . 105 ALA C . 50708 1 475 . 1 . 1 105 105 ALA CA C 13 52.989 0.00 . . . . . . . 105 ALA CA . 50708 1 476 . 1 . 1 105 105 ALA CB C 13 20.584 0.00 . . . . . . . 105 ALA CB . 50708 1 477 . 1 . 1 105 105 ALA N N 15 125.457 0.00 . . . . . . . 105 ALA N . 50708 1 478 . 1 . 1 106 106 PRO C C 13 176.987 0.00 . . . . . . . 106 PRO C . 50708 1 479 . 1 . 1 106 106 PRO CA C 13 63.231 0.02 . . . . . . . 106 PRO CA . 50708 1 480 . 1 . 1 107 107 SER H H 1 8.315 0.00 . . . . . . . 107 SER H . 50708 1 481 . 1 . 1 107 107 SER C C 13 174.831 0.01 . . . . . . . 107 SER C . 50708 1 482 . 1 . 1 107 107 SER CA C 13 58.396 0.02 . . . . . . . 107 SER CA . 50708 1 483 . 1 . 1 107 107 SER CB C 13 63.886 0.09 . . . . . . . 107 SER CB . 50708 1 484 . 1 . 1 107 107 SER N N 15 115.603 0.00 . . . . . . . 107 SER N . 50708 1 485 . 1 . 1 108 108 SER H H 1 8.320 0.00 . . . . . . . 108 SER H . 50708 1 486 . 1 . 1 108 108 SER C C 13 174.977 0.00 . . . . . . . 108 SER C . 50708 1 487 . 1 . 1 108 108 SER CA C 13 58.636 0.06 . . . . . . . 108 SER CA . 50708 1 488 . 1 . 1 108 108 SER CB C 13 63.985 0.13 . . . . . . . 108 SER CB . 50708 1 489 . 1 . 1 108 108 SER N N 15 117.507 0.01 . . . . . . . 108 SER N . 50708 1 490 . 1 . 1 109 109 THR H H 1 8.131 0.00 . . . . . . . 109 THR H . 50708 1 491 . 1 . 1 109 109 THR C C 13 174.824 0.01 . . . . . . . 109 THR C . 50708 1 492 . 1 . 1 109 109 THR CA C 13 61.943 0.05 . . . . . . . 109 THR CA . 50708 1 493 . 1 . 1 109 109 THR CB C 13 69.666 0.03 . . . . . . . 109 THR CB . 50708 1 494 . 1 . 1 109 109 THR N N 15 114.809 0.01 . . . . . . . 109 THR N . 50708 1 495 . 1 . 1 110 110 SER H H 1 8.175 0.00 . . . . . . . 110 SER H . 50708 1 496 . 1 . 1 110 110 SER C C 13 175.000 0.02 . . . . . . . 110 SER C . 50708 1 497 . 1 . 1 110 110 SER CA C 13 58.823 0.03 . . . . . . . 110 SER CA . 50708 1 498 . 1 . 1 110 110 SER CB C 13 63.971 0.04 . . . . . . . 110 SER CB . 50708 1 499 . 1 . 1 110 110 SER N N 15 117.675 0.01 . . . . . . . 110 SER N . 50708 1 500 . 1 . 1 111 111 GLY H H 1 8.281 0.00 . . . . . . . 111 GLY H . 50708 1 501 . 1 . 1 111 111 GLY C C 13 174.083 0.02 . . . . . . . 111 GLY C . 50708 1 502 . 1 . 1 111 111 GLY CA C 13 45.427 0.04 . . . . . . . 111 GLY CA . 50708 1 503 . 1 . 1 111 111 GLY N N 15 110.735 0.01 . . . . . . . 111 GLY N . 50708 1 504 . 1 . 1 112 112 SER H H 1 8.032 0.00 . . . . . . . 112 SER H . 50708 1 505 . 1 . 1 112 112 SER C C 13 174.295 0.01 . . . . . . . 112 SER C . 50708 1 506 . 1 . 1 112 112 SER CA C 13 58.282 0.06 . . . . . . . 112 SER CA . 50708 1 507 . 1 . 1 112 112 SER CB C 13 63.865 0.01 . . . . . . . 112 SER CB . 50708 1 508 . 1 . 1 112 112 SER N N 15 115.397 0.01 . . . . . . . 112 SER N . 50708 1 509 . 1 . 1 113 113 TYR H H 1 8.182 0.00 . . . . . . . 113 TYR H . 50708 1 510 . 1 . 1 113 113 TYR C C 13 176.410 0.01 . . . . . . . 113 TYR C . 50708 1 511 . 1 . 1 113 113 TYR CA C 13 58.208 0.10 . . . . . . . 113 TYR CA . 50708 1 512 . 1 . 1 113 113 TYR CB C 13 38.686 0.02 . . . . . . . 113 TYR CB . 50708 1 513 . 1 . 1 113 113 TYR N N 15 122.172 0.01 . . . . . . . 113 TYR N . 50708 1 514 . 1 . 1 114 114 GLY H H 1 8.217 0.00 . . . . . . . 114 GLY H . 50708 1 515 . 1 . 1 114 114 GLY C C 13 174.212 0.00 . . . . . . . 114 GLY C . 50708 1 516 . 1 . 1 114 114 GLY CA C 13 45.365 0.01 . . . . . . . 114 GLY CA . 50708 1 517 . 1 . 1 114 114 GLY N N 15 110.564 0.01 . . . . . . . 114 GLY N . 50708 1 518 . 1 . 1 115 115 SER H H 1 8.103 0.00 . . . . . . . 115 SER H . 50708 1 519 . 1 . 1 115 115 SER C C 13 174.882 0.01 . . . . . . . 115 SER C . 50708 1 520 . 1 . 1 115 115 SER CA C 13 58.410 0.04 . . . . . . . 115 SER CA . 50708 1 521 . 1 . 1 115 115 SER CB C 13 63.947 0.01 . . . . . . . 115 SER CB . 50708 1 522 . 1 . 1 115 115 SER N N 15 115.523 0.00 . . . . . . . 115 SER N . 50708 1 523 . 1 . 1 116 116 SER H H 1 8.352 0.00 . . . . . . . 116 SER H . 50708 1 524 . 1 . 1 116 116 SER C C 13 174.740 0.03 . . . . . . . 116 SER C . 50708 1 525 . 1 . 1 116 116 SER CA C 13 58.681 0.16 . . . . . . . 116 SER CA . 50708 1 526 . 1 . 1 116 116 SER CB C 13 64.008 0.20 . . . . . . . 116 SER CB . 50708 1 527 . 1 . 1 116 116 SER N N 15 117.620 0.00 . . . . . . . 116 SER N . 50708 1 528 . 1 . 1 117 117 SER H H 1 8.257 0.00 . . . . . . . 117 SER H . 50708 1 529 . 1 . 1 117 117 SER C C 13 174.634 0.01 . . . . . . . 117 SER C . 50708 1 530 . 1 . 1 117 117 SER CA C 13 58.698 0.11 . . . . . . . 117 SER CA . 50708 1 531 . 1 . 1 117 117 SER CB C 13 63.778 0.02 . . . . . . . 117 SER CB . 50708 1 532 . 1 . 1 117 117 SER N N 15 117.416 0.01 . . . . . . . 117 SER N . 50708 1 533 . 1 . 1 118 118 GLN H H 1 8.254 0.00 . . . . . . . 118 GLN H . 50708 1 534 . 1 . 1 118 118 GLN C C 13 176.100 0.01 . . . . . . . 118 GLN C . 50708 1 535 . 1 . 1 118 118 GLN CA C 13 56.116 0.03 . . . . . . . 118 GLN CA . 50708 1 536 . 1 . 1 118 118 GLN CB C 13 29.340 0.04 . . . . . . . 118 GLN CB . 50708 1 537 . 1 . 1 118 118 GLN N N 15 121.762 0.01 . . . . . . . 118 GLN N . 50708 1 538 . 1 . 1 119 119 SER H H 1 8.217 0.00 . . . . . . . 119 SER H . 50708 1 539 . 1 . 1 119 119 SER C C 13 174.750 0.01 . . . . . . . 119 SER C . 50708 1 540 . 1 . 1 119 119 SER CA C 13 58.475 0.02 . . . . . . . 119 SER CA . 50708 1 541 . 1 . 1 119 119 SER CB C 13 63.879 0.02 . . . . . . . 119 SER CB . 50708 1 542 . 1 . 1 119 119 SER N N 15 116.425 0.02 . . . . . . . 119 SER N . 50708 1 543 . 1 . 1 120 120 SER H H 1 8.253 0.00 . . . . . . . 120 SER H . 50708 1 544 . 1 . 1 120 120 SER C C 13 174.595 0.00 . . . . . . . 120 SER C . 50708 1 545 . 1 . 1 120 120 SER CA C 13 58.809 0.02 . . . . . . . 120 SER CA . 50708 1 546 . 1 . 1 120 120 SER CB C 13 64.183 0.00 . . . . . . . 120 SER CB . 50708 1 547 . 1 . 1 120 120 SER N N 15 117.577 0.00 . . . . . . . 120 SER N . 50708 1 548 . 1 . 1 121 121 SER H H 1 8.193 0.00 . . . . . . . 121 SER H . 50708 1 549 . 1 . 1 121 121 SER C C 13 174.129 0.00 . . . . . . . 121 SER C . 50708 1 550 . 1 . 1 121 121 SER CA C 13 58.445 0.00 . . . . . . . 121 SER CA . 50708 1 551 . 1 . 1 121 121 SER CB C 13 63.778 0.00 . . . . . . . 121 SER CB . 50708 1 552 . 1 . 1 121 121 SER N N 15 117.297 0.00 . . . . . . . 121 SER N . 50708 1 553 . 1 . 1 122 122 TYR H H 1 8.010 0.00 . . . . . . . 122 TYR H . 50708 1 554 . 1 . 1 122 122 TYR C C 13 176.277 0.00 . . . . . . . 122 TYR C . 50708 1 555 . 1 . 1 122 122 TYR CA C 13 58.282 0.03 . . . . . . . 122 TYR CA . 50708 1 556 . 1 . 1 122 122 TYR CB C 13 38.669 0.01 . . . . . . . 122 TYR CB . 50708 1 557 . 1 . 1 122 122 TYR N N 15 121.828 0.00 . . . . . . . 122 TYR N . 50708 1 558 . 1 . 1 123 123 GLY H H 1 8.149 0.00 . . . . . . . 123 GLY H . 50708 1 559 . 1 . 1 123 123 GLY C C 13 173.595 0.00 . . . . . . . 123 GLY C . 50708 1 560 . 1 . 1 123 123 GLY CA C 13 45.283 0.00 . . . . . . . 123 GLY CA . 50708 1 561 . 1 . 1 123 123 GLY N N 15 110.556 0.00 . . . . . . . 123 GLY N . 50708 1 562 . 1 . 1 124 124 GLN H H 1 8.056 0.00 . . . . . . . 124 GLN H . 50708 1 563 . 1 . 1 124 124 GLN C C 13 176.833 0.00 . . . . . . . 124 GLN C . 50708 1 564 . 1 . 1 124 124 GLN CA C 13 56.244 0.00 . . . . . . . 124 GLN CA . 50708 1 565 . 1 . 1 124 124 GLN CB C 13 31.360 0.00 . . . . . . . 124 GLN CB . 50708 1 566 . 1 . 1 124 124 GLN N N 15 120.395 0.00 . . . . . . . 124 GLN N . 50708 1 567 . 1 . 1 125 125 PRO C C 13 176.991 0.00 . . . . . . . 125 PRO C . 50708 1 568 . 1 . 1 125 125 PRO CA C 13 63.352 0.01 . . . . . . . 125 PRO CA . 50708 1 569 . 1 . 1 125 125 PRO CB C 13 31.982 0.00 . . . . . . . 125 PRO CB . 50708 1 570 . 1 . 1 126 126 GLN H H 1 8.476 0.00 . . . . . . . 126 GLN H . 50708 1 571 . 1 . 1 126 126 GLN C C 13 176.143 0.01 . . . . . . . 126 GLN C . 50708 1 572 . 1 . 1 126 126 GLN CA C 13 55.950 0.01 . . . . . . . 126 GLN CA . 50708 1 573 . 1 . 1 126 126 GLN CB C 13 29.357 0.03 . . . . . . . 126 GLN CB . 50708 1 574 . 1 . 1 126 126 GLN N N 15 120.600 0.01 . . . . . . . 126 GLN N . 50708 1 575 . 1 . 1 127 127 SER H H 1 8.285 0.00 . . . . . . . 127 SER H . 50708 1 576 . 1 . 1 127 127 SER C C 13 175.003 0.01 . . . . . . . 127 SER C . 50708 1 577 . 1 . 1 127 127 SER CA C 13 58.568 0.02 . . . . . . . 127 SER CA . 50708 1 578 . 1 . 1 127 127 SER CB C 13 63.951 0.02 . . . . . . . 127 SER CB . 50708 1 579 . 1 . 1 127 127 SER N N 15 116.729 0.01 . . . . . . . 127 SER N . 50708 1 580 . 1 . 1 128 128 GLY H H 1 8.342 0.00 . . . . . . . 128 GLY H . 50708 1 581 . 1 . 1 128 128 GLY C C 13 174.085 0.00 . . . . . . . 128 GLY C . 50708 1 582 . 1 . 1 128 128 GLY CA C 13 45.368 0.01 . . . . . . . 128 GLY CA . 50708 1 583 . 1 . 1 128 128 GLY N N 15 110.682 0.01 . . . . . . . 128 GLY N . 50708 1 584 . 1 . 1 129 129 SER H H 1 8.054 0.00 . . . . . . . 129 SER H . 50708 1 585 . 1 . 1 129 129 SER C C 13 174.265 0.01 . . . . . . . 129 SER C . 50708 1 586 . 1 . 1 129 129 SER CA C 13 58.293 0.05 . . . . . . . 129 SER CA . 50708 1 587 . 1 . 1 129 129 SER CB C 13 63.882 0.01 . . . . . . . 129 SER CB . 50708 1 588 . 1 . 1 129 129 SER N N 15 115.344 0.01 . . . . . . . 129 SER N . 50708 1 589 . 1 . 1 130 130 TYR H H 1 8.115 0.00 . . . . . . . 130 TYR H . 50708 1 590 . 1 . 1 130 130 TYR C C 13 175.977 0.24 . . . . . . . 130 TYR C . 50708 1 591 . 1 . 1 130 130 TYR CA C 13 58.281 0.19 . . . . . . . 130 TYR CA . 50708 1 592 . 1 . 1 130 130 TYR CB C 13 38.744 0.03 . . . . . . . 130 TYR CB . 50708 1 593 . 1 . 1 130 130 TYR N N 15 121.985 0.01 . . . . . . . 130 TYR N . 50708 1 594 . 1 . 1 131 131 SER H H 1 8.046 0.00 . . . . . . . 131 SER H . 50708 1 595 . 1 . 1 131 131 SER C C 13 174.082 0.01 . . . . . . . 131 SER C . 50708 1 596 . 1 . 1 131 131 SER CA C 13 58.112 0.14 . . . . . . . 131 SER CA . 50708 1 597 . 1 . 1 131 131 SER CB C 13 63.930 0.03 . . . . . . . 131 SER CB . 50708 1 598 . 1 . 1 131 131 SER N N 15 116.980 0.01 . . . . . . . 131 SER N . 50708 1 599 . 1 . 1 132 132 GLN H H 1 8.170 0.00 . . . . . . . 132 GLN H . 50708 1 600 . 1 . 1 132 132 GLN C C 13 175.567 0.01 . . . . . . . 132 GLN C . 50708 1 601 . 1 . 1 132 132 GLN CA C 13 55.847 0.06 . . . . . . . 132 GLN CA . 50708 1 602 . 1 . 1 132 132 GLN CB C 13 29.480 0.02 . . . . . . . 132 GLN CB . 50708 1 603 . 1 . 1 132 132 GLN N N 15 121.777 0.01 . . . . . . . 132 GLN N . 50708 1 604 . 1 . 1 133 133 GLN H H 1 8.241 0.00 . . . . . . . 133 GLN H . 50708 1 605 . 1 . 1 133 133 GLN C C 13 173.975 0.00 . . . . . . . 133 GLN C . 50708 1 606 . 1 . 1 133 133 GLN CA C 13 53.825 0.00 . . . . . . . 133 GLN CA . 50708 1 607 . 1 . 1 133 133 GLN CB C 13 28.844 0.00 . . . . . . . 133 GLN CB . 50708 1 608 . 1 . 1 133 133 GLN N N 15 122.372 0.00 . . . . . . . 133 GLN N . 50708 1 609 . 1 . 1 134 134 PRO C C 13 176.635 0.01 . . . . . . . 134 PRO C . 50708 1 610 . 1 . 1 134 134 PRO CA C 13 63.250 0.01 . . . . . . . 134 PRO CA . 50708 1 611 . 1 . 1 134 134 PRO CB C 13 32.064 0.00 . . . . . . . 134 PRO CB . 50708 1 612 . 1 . 1 135 135 SER H H 1 8.214 0.00 . . . . . . . 135 SER H . 50708 1 613 . 1 . 1 135 135 SER C C 13 174.270 0.00 . . . . . . . 135 SER C . 50708 1 614 . 1 . 1 135 135 SER CA C 13 58.265 0.02 . . . . . . . 135 SER CA . 50708 1 615 . 1 . 1 135 135 SER CB C 13 63.909 0.03 . . . . . . . 135 SER CB . 50708 1 616 . 1 . 1 135 135 SER N N 15 115.433 0.01 . . . . . . . 135 SER N . 50708 1 617 . 1 . 1 136 136 TYR H H 1 8.116 0.00 . . . . . . . 136 TYR H . 50708 1 618 . 1 . 1 136 136 TYR C C 13 176.354 0.01 . . . . . . . 136 TYR C . 50708 1 619 . 1 . 1 136 136 TYR CA C 13 57.981 0.01 . . . . . . . 136 TYR CA . 50708 1 620 . 1 . 1 136 136 TYR CB C 13 38.805 0.03 . . . . . . . 136 TYR CB . 50708 1 621 . 1 . 1 136 136 TYR N N 15 122.035 0.01 . . . . . . . 136 TYR N . 50708 1 622 . 1 . 1 137 137 GLY H H 1 8.270 0.00 . . . . . . . 137 GLY H . 50708 1 623 . 1 . 1 137 137 GLY C C 13 174.634 0.00 . . . . . . . 137 GLY C . 50708 1 624 . 1 . 1 137 137 GLY CA C 13 45.451 0.02 . . . . . . . 137 GLY CA . 50708 1 625 . 1 . 1 137 137 GLY N N 15 110.733 0.01 . . . . . . . 137 GLY N . 50708 1 626 . 1 . 1 138 138 GLY H H 1 7.876 0.00 . . . . . . . 138 GLY H . 50708 1 627 . 1 . 1 138 138 GLY C C 13 174.201 0.00 . . . . . . . 138 GLY C . 50708 1 628 . 1 . 1 138 138 GLY CA C 13 45.232 0.00 . . . . . . . 138 GLY CA . 50708 1 629 . 1 . 1 138 138 GLY N N 15 108.202 0.00 . . . . . . . 138 GLY N . 50708 1 630 . 1 . 1 139 139 GLN H H 1 8.199 0.00 . . . . . . . 139 GLN H . 50708 1 631 . 1 . 1 139 139 GLN C C 13 178.859 0.00 . . . . . . . 139 GLN C . 50708 1 632 . 1 . 1 139 139 GLN CA C 13 58.578 0.00 . . . . . . . 139 GLN CA . 50708 1 633 . 1 . 1 139 139 GLN CB C 13 31.961 0.00 . . . . . . . 139 GLN CB . 50708 1 634 . 1 . 1 139 139 GLN N N 15 119.603 0.00 . . . . . . . 139 GLN N . 50708 1 635 . 1 . 1 140 140 GLN H H 1 8.461 0.00 . . . . . . . 140 GLN H . 50708 1 636 . 1 . 1 140 140 GLN C C 13 178.672 0.00 . . . . . . . 140 GLN C . 50708 1 637 . 1 . 1 140 140 GLN CA C 13 58.716 0.00 . . . . . . . 140 GLN CA . 50708 1 638 . 1 . 1 140 140 GLN CB C 13 31.907 0.00 . . . . . . . 140 GLN CB . 50708 1 639 . 1 . 1 140 140 GLN N N 15 121.518 0.00 . . . . . . . 140 GLN N . 50708 1 640 . 1 . 1 141 141 GLN H H 1 8.397 0.00 . . . . . . . 141 GLN H . 50708 1 641 . 1 . 1 141 141 GLN C C 13 178.472 0.00 . . . . . . . 141 GLN C . 50708 1 642 . 1 . 1 141 141 GLN CA C 13 58.596 0.00 . . . . . . . 141 GLN CA . 50708 1 643 . 1 . 1 141 141 GLN CB C 13 32.005 0.00 . . . . . . . 141 GLN CB . 50708 1 644 . 1 . 1 141 141 GLN N N 15 121.499 0.00 . . . . . . . 141 GLN N . 50708 1 645 . 1 . 1 142 142 SER H H 1 8.252 0.00 . . . . . . . 142 SER H . 50708 1 646 . 1 . 1 142 142 SER C C 13 176.842 0.00 . . . . . . . 142 SER C . 50708 1 647 . 1 . 1 142 142 SER CA C 13 60.765 0.00 . . . . . . . 142 SER CA . 50708 1 648 . 1 . 1 142 142 SER CB C 13 66.463 0.00 . . . . . . . 142 SER CB . 50708 1 649 . 1 . 1 142 142 SER N N 15 116.662 0.00 . . . . . . . 142 SER N . 50708 1 650 . 1 . 1 143 143 TYR H H 1 8.220 0.00 . . . . . . . 143 TYR H . 50708 1 651 . 1 . 1 143 143 TYR C C 13 179.108 0.00 . . . . . . . 143 TYR C . 50708 1 652 . 1 . 1 143 143 TYR CA C 13 60.713 0.00 . . . . . . . 143 TYR CA . 50708 1 653 . 1 . 1 143 143 TYR CB C 13 41.345 0.00 . . . . . . . 143 TYR CB . 50708 1 654 . 1 . 1 143 143 TYR N N 15 122.033 0.00 . . . . . . . 143 TYR N . 50708 1 655 . 1 . 1 144 144 GLY H H 1 8.241 0.00 . . . . . . . 144 GLY H . 50708 1 656 . 1 . 1 144 144 GLY C C 13 176.833 0.00 . . . . . . . 144 GLY C . 50708 1 657 . 1 . 1 144 144 GLY CA C 13 47.971 0.00 . . . . . . . 144 GLY CA . 50708 1 658 . 1 . 1 144 144 GLY N N 15 110.185 0.00 . . . . . . . 144 GLY N . 50708 1 659 . 1 . 1 145 145 GLN H H 1 8.167 0.00 . . . . . . . 145 GLN H . 50708 1 660 . 1 . 1 145 145 GLN C C 13 178.828 0.00 . . . . . . . 145 GLN C . 50708 1 661 . 1 . 1 145 145 GLN CA C 13 58.535 0.00 . . . . . . . 145 GLN CA . 50708 1 662 . 1 . 1 145 145 GLN CB C 13 32.004 0.00 . . . . . . . 145 GLN CB . 50708 1 663 . 1 . 1 145 145 GLN N N 15 119.713 0.00 . . . . . . . 145 GLN N . 50708 1 664 . 1 . 1 146 146 GLN H H 1 8.443 0.00 . . . . . . . 146 GLN H . 50708 1 665 . 1 . 1 146 146 GLN C C 13 178.698 0.00 . . . . . . . 146 GLN C . 50708 1 666 . 1 . 1 146 146 GLN CA C 13 56.069 0.01 . . . . . . . 146 GLN CA . 50708 1 667 . 1 . 1 146 146 GLN CB C 13 29.296 0.00 . . . . . . . 146 GLN CB . 50708 1 668 . 1 . 1 146 146 GLN N N 15 121.363 0.00 . . . . . . . 146 GLN N . 50708 1 669 . 1 . 1 147 147 GLN H H 1 8.333 0.00 . . . . . . . 147 GLN H . 50708 1 670 . 1 . 1 147 147 GLN C C 13 175.768 0.01 . . . . . . . 147 GLN C . 50708 1 671 . 1 . 1 147 147 GLN CA C 13 55.917 0.03 . . . . . . . 147 GLN CA . 50708 1 672 . 1 . 1 147 147 GLN CB C 13 29.186 0.31 . . . . . . . 147 GLN CB . 50708 1 673 . 1 . 1 147 147 GLN N N 15 121.355 0.00 . . . . . . . 147 GLN N . 50708 1 674 . 1 . 1 148 148 SER H H 1 8.188 0.00 . . . . . . . 148 SER H . 50708 1 675 . 1 . 1 148 148 SER C C 13 174.853 1.11 . . . . . . . 148 SER C . 50708 1 676 . 1 . 1 148 148 SER CA C 13 58.256 0.02 . . . . . . . 148 SER CA . 50708 1 677 . 1 . 1 148 148 SER CB C 13 63.875 0.03 . . . . . . . 148 SER CB . 50708 1 678 . 1 . 1 148 148 SER N N 15 116.578 0.01 . . . . . . . 148 SER N . 50708 1 679 . 1 . 1 149 149 TYR H H 1 8.124 0.00 . . . . . . . 149 TYR H . 50708 1 680 . 1 . 1 149 149 TYR C C 13 174.689 0.01 . . . . . . . 149 TYR C . 50708 1 681 . 1 . 1 149 149 TYR CA C 13 57.759 0.08 . . . . . . . 149 TYR CA . 50708 1 682 . 1 . 1 149 149 TYR CB C 13 38.997 0.00 . . . . . . . 149 TYR CB . 50708 1 683 . 1 . 1 149 149 TYR N N 15 122.292 0.01 . . . . . . . 149 TYR N . 50708 1 684 . 1 . 1 150 150 ASN H H 1 8.144 0.00 . . . . . . . 150 ASN H . 50708 1 685 . 1 . 1 150 150 ASN C C 13 178.190 0.00 . . . . . . . 150 ASN C . 50708 1 686 . 1 . 1 150 150 ASN CA C 13 50.910 0.00 . . . . . . . 150 ASN CA . 50708 1 687 . 1 . 1 150 150 ASN CB C 13 38.566 0.00 . . . . . . . 150 ASN CB . 50708 1 688 . 1 . 1 150 150 ASN N N 15 123.065 0.00 . . . . . . . 150 ASN N . 50708 1 689 . 1 . 1 152 152 PRO C C 13 176.933 0.00 . . . . . . . 152 PRO C . 50708 1 690 . 1 . 1 152 152 PRO CA C 13 63.183 0.01 . . . . . . . 152 PRO CA . 50708 1 691 . 1 . 1 152 152 PRO CB C 13 31.910 0.03 . . . . . . . 152 PRO CB . 50708 1 692 . 1 . 1 153 153 GLN H H 1 8.373 0.00 . . . . . . . 153 GLN H . 50708 1 693 . 1 . 1 153 153 GLN C C 13 176.474 0.00 . . . . . . . 153 GLN C . 50708 1 694 . 1 . 1 153 153 GLN CA C 13 56.094 0.04 . . . . . . . 153 GLN CA . 50708 1 695 . 1 . 1 153 153 GLN CB C 13 29.439 0.00 . . . . . . . 153 GLN CB . 50708 1 696 . 1 . 1 153 153 GLN N N 15 119.936 0.01 . . . . . . . 153 GLN N . 50708 1 697 . 1 . 1 154 154 GLY H H 1 8.272 0.00 . . . . . . . 154 GLY H . 50708 1 698 . 1 . 1 154 154 GLY C C 13 173.790 0.01 . . . . . . . 154 GLY C . 50708 1 699 . 1 . 1 154 154 GLY CA C 13 45.136 0.03 . . . . . . . 154 GLY CA . 50708 1 700 . 1 . 1 154 154 GLY N N 15 109.913 0.01 . . . . . . . 154 GLY N . 50708 1 701 . 1 . 1 155 155 TYR H H 1 8.035 0.00 . . . . . . . 155 TYR H . 50708 1 702 . 1 . 1 155 155 TYR C C 13 176.536 0.00 . . . . . . . 155 TYR C . 50708 1 703 . 1 . 1 155 155 TYR CA C 13 58.350 0.04 . . . . . . . 155 TYR CA . 50708 1 704 . 1 . 1 155 155 TYR CB C 13 38.792 0.02 . . . . . . . 155 TYR CB . 50708 1 705 . 1 . 1 155 155 TYR N N 15 119.949 0.01 . . . . . . . 155 TYR N . 50708 1 706 . 1 . 1 156 156 GLY H H 1 8.319 0.00 . . . . . . . 156 GLY H . 50708 1 707 . 1 . 1 156 156 GLY C C 13 174.144 0.00 . . . . . . . 156 GLY C . 50708 1 708 . 1 . 1 156 156 GLY CA C 13 45.375 0.02 . . . . . . . 156 GLY CA . 50708 1 709 . 1 . 1 156 156 GLY N N 15 110.787 0.00 . . . . . . . 156 GLY N . 50708 1 710 . 1 . 1 157 157 GLN H H 1 8.101 0.00 . . . . . . . 157 GLN H . 50708 1 711 . 1 . 1 157 157 GLN C C 13 176.109 0.02 . . . . . . . 157 GLN C . 50708 1 712 . 1 . 1 157 157 GLN CA C 13 56.052 0.05 . . . . . . . 157 GLN CA . 50708 1 713 . 1 . 1 157 157 GLN CB C 13 29.330 0.02 . . . . . . . 157 GLN CB . 50708 1 714 . 1 . 1 157 157 GLN N N 15 119.626 0.01 . . . . . . . 157 GLN N . 50708 1 715 . 1 . 1 158 158 GLN H H 1 8.395 0.00 . . . . . . . 158 GLN H . 50708 1 716 . 1 . 1 158 158 GLN C C 13 175.723 0.00 . . . . . . . 158 GLN C . 50708 1 717 . 1 . 1 158 158 GLN CA C 13 55.979 0.10 . . . . . . . 158 GLN CA . 50708 1 718 . 1 . 1 158 158 GLN CB C 13 29.033 0.27 . . . . . . . 158 GLN CB . 50708 1 719 . 1 . 1 158 158 GLN N N 15 120.879 0.02 . . . . . . . 158 GLN N . 50708 1 720 . 1 . 1 159 159 ASN H H 1 8.364 0.00 . . . . . . . 159 ASN H . 50708 1 721 . 1 . 1 159 159 ASN C C 13 175.143 0.17 . . . . . . . 159 ASN C . 50708 1 722 . 1 . 1 159 159 ASN CA C 13 53.397 0.04 . . . . . . . 159 ASN CA . 50708 1 723 . 1 . 1 159 159 ASN CB C 13 38.829 0.04 . . . . . . . 159 ASN CB . 50708 1 724 . 1 . 1 159 159 ASN N N 15 119.419 0.02 . . . . . . . 159 ASN N . 50708 1 725 . 1 . 1 160 160 GLN H H 1 8.220 0.00 . . . . . . . 160 GLN H . 50708 1 726 . 1 . 1 160 160 GLN C C 13 175.498 0.00 . . . . . . . 160 GLN C . 50708 1 727 . 1 . 1 160 160 GLN CA C 13 56.114 0.04 . . . . . . . 160 GLN CA . 50708 1 728 . 1 . 1 160 160 GLN CB C 13 29.279 0.02 . . . . . . . 160 GLN CB . 50708 1 729 . 1 . 1 160 160 GLN N N 15 120.026 0.02 . . . . . . . 160 GLN N . 50708 1 730 . 1 . 1 161 161 TYR H H 1 8.125 0.00 . . . . . . . 161 TYR H . 50708 1 731 . 1 . 1 161 161 TYR C C 13 175.451 0.03 . . . . . . . 161 TYR C . 50708 1 732 . 1 . 1 161 161 TYR CA C 13 57.786 0.03 . . . . . . . 161 TYR CA . 50708 1 733 . 1 . 1 161 161 TYR CB C 13 38.638 0.05 . . . . . . . 161 TYR CB . 50708 1 734 . 1 . 1 161 161 TYR N N 15 120.375 0.03 . . . . . . . 161 TYR N . 50708 1 735 . 1 . 1 162 162 ASN H H 1 8.208 0.00 . . . . . . . 162 ASN H . 50708 1 736 . 1 . 1 162 162 ASN C C 13 174.095 0.01 . . . . . . . 162 ASN C . 50708 1 737 . 1 . 1 162 162 ASN CA C 13 53.276 0.02 . . . . . . . 162 ASN CA . 50708 1 738 . 1 . 1 162 162 ASN CB C 13 39.315 0.06 . . . . . . . 162 ASN CB . 50708 1 739 . 1 . 1 162 162 ASN N N 15 120.403 0.01 . . . . . . . 162 ASN N . 50708 1 740 . 1 . 1 163 163 SER H H 1 7.769 0.00 . . . . . . . 163 SER H . 50708 1 741 . 1 . 1 163 163 SER C C 13 178.561 0.00 . . . . . . . 163 SER C . 50708 1 742 . 1 . 1 163 163 SER CA C 13 60.086 0.02 . . . . . . . 163 SER CA . 50708 1 743 . 1 . 1 163 163 SER CB C 13 64.911 0.00 . . . . . . . 163 SER CB . 50708 1 744 . 1 . 1 163 163 SER N N 15 121.243 0.02 . . . . . . . 163 SER N . 50708 1 stop_ save_