data_50620 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50620 _Entry.Title ; 1H, 13C and 15N backbone chemical-shift assignments of SARS-CoV-2 non-structural protein 1 (leader protein) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-12-07 _Entry.Accession_date 2020-12-07 _Entry.Last_release_date 2020-12-07 _Entry.Original_release_date 2020-12-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Ying Wang . . . 0000-0002-5645-0209 50620 2 John Kirkpatrick . P. . 0000-0002-9761-3377 50620 3 Teresa Carlomagno . . . 0000-0002-2437-2760 50620 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Carlomagno group, BMWZ' . 50620 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50620 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 505 50620 '15N chemical shifts' 165 50620 '1H chemical shifts' 165 50620 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-11-29 2020-12-07 update BMRB 'update entry citation' 50620 1 . . 2021-06-01 2020-12-07 original author 'original release' 50620 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50620 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33770349 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N backbone chemical-shift assignments of SARS-CoV-2 non-structural protein 1 (leader protein) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 287 _Citation.Page_last 295 _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 Ying Wang Y. . . . 50620 1 2 John Kirkpatrick J. . . . 50620 1 3 Susanne 'Zur Lage' S. . . . 50620 1 4 Sophie Korn S. M. . . 50620 1 5 Konstantin Neissner K. . . . 50620 1 6 Harald Schwalbe H. . . . 50620 1 7 Andreas Schlundt A. . . . 50620 1 8 Teresa Carlomagno T. . . . 50620 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Coronavirus 50620 1 'Non-structural proteins' 50620 1 Nsp1 50620 1 SARS-CoV-2 50620 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50620 _Assembly.ID 1 _Assembly.Name Nsp1 _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 yes _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 Nsp1 1 $entity_1 . . yes native yes no . . . 50620 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50620 _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 ; GAMESLVPGFNEKTHVQLSL PVLQVRDVLVRGFGDSVEEV LSEARQHLKDGTCGLVEVEK GVLPQLEQPYVFIKRSDART APHGHVMVELVAELEGIQYG RSGETLGVLVPHVGEIPVAY RKVLLRKNGNKGAGGHSYGA DLKSFDLGDELGTDPYEDFQ ENWNTKHSSGVTRELMRELN GG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '-1, G' _Entity.Polymer_author_seq_details ; The first two residues (GA) in the protein construct used are cloning artifacts. Therefore, the appropriate residue numbering has the first residue (G) designated as residue-number '-1', so that the third residue has residue-number '1'. ; _Entity.Ambiguous_conformational_states yes _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 182 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI YP_009725297.1 . 'leader protein [Severe acute respiratory syndrome coronavirus 2]' . . . . . . . . . . . . . . 50620 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 50620 1 2 0 ALA . 50620 1 3 1 MET . 50620 1 4 2 GLU . 50620 1 5 3 SER . 50620 1 6 4 LEU . 50620 1 7 5 VAL . 50620 1 8 6 PRO . 50620 1 9 7 GLY . 50620 1 10 8 PHE . 50620 1 11 9 ASN . 50620 1 12 10 GLU . 50620 1 13 11 LYS . 50620 1 14 12 THR . 50620 1 15 13 HIS . 50620 1 16 14 VAL . 50620 1 17 15 GLN . 50620 1 18 16 LEU . 50620 1 19 17 SER . 50620 1 20 18 LEU . 50620 1 21 19 PRO . 50620 1 22 20 VAL . 50620 1 23 21 LEU . 50620 1 24 22 GLN . 50620 1 25 23 VAL . 50620 1 26 24 ARG . 50620 1 27 25 ASP . 50620 1 28 26 VAL . 50620 1 29 27 LEU . 50620 1 30 28 VAL . 50620 1 31 29 ARG . 50620 1 32 30 GLY . 50620 1 33 31 PHE . 50620 1 34 32 GLY . 50620 1 35 33 ASP . 50620 1 36 34 SER . 50620 1 37 35 VAL . 50620 1 38 36 GLU . 50620 1 39 37 GLU . 50620 1 40 38 VAL . 50620 1 41 39 LEU . 50620 1 42 40 SER . 50620 1 43 41 GLU . 50620 1 44 42 ALA . 50620 1 45 43 ARG . 50620 1 46 44 GLN . 50620 1 47 45 HIS . 50620 1 48 46 LEU . 50620 1 49 47 LYS . 50620 1 50 48 ASP . 50620 1 51 49 GLY . 50620 1 52 50 THR . 50620 1 53 51 CYS . 50620 1 54 52 GLY . 50620 1 55 53 LEU . 50620 1 56 54 VAL . 50620 1 57 55 GLU . 50620 1 58 56 VAL . 50620 1 59 57 GLU . 50620 1 60 58 LYS . 50620 1 61 59 GLY . 50620 1 62 60 VAL . 50620 1 63 61 LEU . 50620 1 64 62 PRO . 50620 1 65 63 GLN . 50620 1 66 64 LEU . 50620 1 67 65 GLU . 50620 1 68 66 GLN . 50620 1 69 67 PRO . 50620 1 70 68 TYR . 50620 1 71 69 VAL . 50620 1 72 70 PHE . 50620 1 73 71 ILE . 50620 1 74 72 LYS . 50620 1 75 73 ARG . 50620 1 76 74 SER . 50620 1 77 75 ASP . 50620 1 78 76 ALA . 50620 1 79 77 ARG . 50620 1 80 78 THR . 50620 1 81 79 ALA . 50620 1 82 80 PRO . 50620 1 83 81 HIS . 50620 1 84 82 GLY . 50620 1 85 83 HIS . 50620 1 86 84 VAL . 50620 1 87 85 MET . 50620 1 88 86 VAL . 50620 1 89 87 GLU . 50620 1 90 88 LEU . 50620 1 91 89 VAL . 50620 1 92 90 ALA . 50620 1 93 91 GLU . 50620 1 94 92 LEU . 50620 1 95 93 GLU . 50620 1 96 94 GLY . 50620 1 97 95 ILE . 50620 1 98 96 GLN . 50620 1 99 97 TYR . 50620 1 100 98 GLY . 50620 1 101 99 ARG . 50620 1 102 100 SER . 50620 1 103 101 GLY . 50620 1 104 102 GLU . 50620 1 105 103 THR . 50620 1 106 104 LEU . 50620 1 107 105 GLY . 50620 1 108 106 VAL . 50620 1 109 107 LEU . 50620 1 110 108 VAL . 50620 1 111 109 PRO . 50620 1 112 110 HIS . 50620 1 113 111 VAL . 50620 1 114 112 GLY . 50620 1 115 113 GLU . 50620 1 116 114 ILE . 50620 1 117 115 PRO . 50620 1 118 116 VAL . 50620 1 119 117 ALA . 50620 1 120 118 TYR . 50620 1 121 119 ARG . 50620 1 122 120 LYS . 50620 1 123 121 VAL . 50620 1 124 122 LEU . 50620 1 125 123 LEU . 50620 1 126 124 ARG . 50620 1 127 125 LYS . 50620 1 128 126 ASN . 50620 1 129 127 GLY . 50620 1 130 128 ASN . 50620 1 131 129 LYS . 50620 1 132 130 GLY . 50620 1 133 131 ALA . 50620 1 134 132 GLY . 50620 1 135 133 GLY . 50620 1 136 134 HIS . 50620 1 137 135 SER . 50620 1 138 136 TYR . 50620 1 139 137 GLY . 50620 1 140 138 ALA . 50620 1 141 139 ASP . 50620 1 142 140 LEU . 50620 1 143 141 LYS . 50620 1 144 142 SER . 50620 1 145 143 PHE . 50620 1 146 144 ASP . 50620 1 147 145 LEU . 50620 1 148 146 GLY . 50620 1 149 147 ASP . 50620 1 150 148 GLU . 50620 1 151 149 LEU . 50620 1 152 150 GLY . 50620 1 153 151 THR . 50620 1 154 152 ASP . 50620 1 155 153 PRO . 50620 1 156 154 TYR . 50620 1 157 155 GLU . 50620 1 158 156 ASP . 50620 1 159 157 PHE . 50620 1 160 158 GLN . 50620 1 161 159 GLU . 50620 1 162 160 ASN . 50620 1 163 161 TRP . 50620 1 164 162 ASN . 50620 1 165 163 THR . 50620 1 166 164 LYS . 50620 1 167 165 HIS . 50620 1 168 166 SER . 50620 1 169 167 SER . 50620 1 170 168 GLY . 50620 1 171 169 VAL . 50620 1 172 170 THR . 50620 1 173 171 ARG . 50620 1 174 172 GLU . 50620 1 175 173 LEU . 50620 1 176 174 MET . 50620 1 177 175 ARG . 50620 1 178 176 GLU . 50620 1 179 177 LEU . 50620 1 180 178 ASN . 50620 1 181 179 GLY . 50620 1 182 180 GLY . 50620 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 50620 1 . ALA 2 2 50620 1 . MET 3 3 50620 1 . GLU 4 4 50620 1 . SER 5 5 50620 1 . LEU 6 6 50620 1 . VAL 7 7 50620 1 . PRO 8 8 50620 1 . GLY 9 9 50620 1 . PHE 10 10 50620 1 . ASN 11 11 50620 1 . GLU 12 12 50620 1 . LYS 13 13 50620 1 . THR 14 14 50620 1 . HIS 15 15 50620 1 . VAL 16 16 50620 1 . GLN 17 17 50620 1 . LEU 18 18 50620 1 . SER 19 19 50620 1 . LEU 20 20 50620 1 . PRO 21 21 50620 1 . VAL 22 22 50620 1 . LEU 23 23 50620 1 . GLN 24 24 50620 1 . VAL 25 25 50620 1 . ARG 26 26 50620 1 . ASP 27 27 50620 1 . VAL 28 28 50620 1 . LEU 29 29 50620 1 . VAL 30 30 50620 1 . ARG 31 31 50620 1 . GLY 32 32 50620 1 . PHE 33 33 50620 1 . GLY 34 34 50620 1 . ASP 35 35 50620 1 . SER 36 36 50620 1 . VAL 37 37 50620 1 . GLU 38 38 50620 1 . GLU 39 39 50620 1 . VAL 40 40 50620 1 . LEU 41 41 50620 1 . SER 42 42 50620 1 . GLU 43 43 50620 1 . ALA 44 44 50620 1 . ARG 45 45 50620 1 . GLN 46 46 50620 1 . HIS 47 47 50620 1 . LEU 48 48 50620 1 . LYS 49 49 50620 1 . ASP 50 50 50620 1 . GLY 51 51 50620 1 . THR 52 52 50620 1 . CYS 53 53 50620 1 . GLY 54 54 50620 1 . LEU 55 55 50620 1 . VAL 56 56 50620 1 . GLU 57 57 50620 1 . VAL 58 58 50620 1 . GLU 59 59 50620 1 . LYS 60 60 50620 1 . GLY 61 61 50620 1 . VAL 62 62 50620 1 . LEU 63 63 50620 1 . PRO 64 64 50620 1 . GLN 65 65 50620 1 . LEU 66 66 50620 1 . GLU 67 67 50620 1 . GLN 68 68 50620 1 . PRO 69 69 50620 1 . TYR 70 70 50620 1 . VAL 71 71 50620 1 . PHE 72 72 50620 1 . ILE 73 73 50620 1 . LYS 74 74 50620 1 . ARG 75 75 50620 1 . SER 76 76 50620 1 . ASP 77 77 50620 1 . ALA 78 78 50620 1 . ARG 79 79 50620 1 . THR 80 80 50620 1 . ALA 81 81 50620 1 . PRO 82 82 50620 1 . HIS 83 83 50620 1 . GLY 84 84 50620 1 . HIS 85 85 50620 1 . VAL 86 86 50620 1 . MET 87 87 50620 1 . VAL 88 88 50620 1 . GLU 89 89 50620 1 . LEU 90 90 50620 1 . VAL 91 91 50620 1 . ALA 92 92 50620 1 . GLU 93 93 50620 1 . LEU 94 94 50620 1 . GLU 95 95 50620 1 . GLY 96 96 50620 1 . ILE 97 97 50620 1 . GLN 98 98 50620 1 . TYR 99 99 50620 1 . GLY 100 100 50620 1 . ARG 101 101 50620 1 . SER 102 102 50620 1 . GLY 103 103 50620 1 . GLU 104 104 50620 1 . THR 105 105 50620 1 . LEU 106 106 50620 1 . GLY 107 107 50620 1 . VAL 108 108 50620 1 . LEU 109 109 50620 1 . VAL 110 110 50620 1 . PRO 111 111 50620 1 . HIS 112 112 50620 1 . VAL 113 113 50620 1 . GLY 114 114 50620 1 . GLU 115 115 50620 1 . ILE 116 116 50620 1 . PRO 117 117 50620 1 . VAL 118 118 50620 1 . ALA 119 119 50620 1 . TYR 120 120 50620 1 . ARG 121 121 50620 1 . LYS 122 122 50620 1 . VAL 123 123 50620 1 . LEU 124 124 50620 1 . LEU 125 125 50620 1 . ARG 126 126 50620 1 . LYS 127 127 50620 1 . ASN 128 128 50620 1 . GLY 129 129 50620 1 . ASN 130 130 50620 1 . LYS 131 131 50620 1 . GLY 132 132 50620 1 . ALA 133 133 50620 1 . GLY 134 134 50620 1 . GLY 135 135 50620 1 . HIS 136 136 50620 1 . SER 137 137 50620 1 . TYR 138 138 50620 1 . GLY 139 139 50620 1 . ALA 140 140 50620 1 . ASP 141 141 50620 1 . LEU 142 142 50620 1 . LYS 143 143 50620 1 . SER 144 144 50620 1 . PHE 145 145 50620 1 . ASP 146 146 50620 1 . LEU 147 147 50620 1 . GLY 148 148 50620 1 . ASP 149 149 50620 1 . GLU 150 150 50620 1 . LEU 151 151 50620 1 . GLY 152 152 50620 1 . THR 153 153 50620 1 . ASP 154 154 50620 1 . PRO 155 155 50620 1 . TYR 156 156 50620 1 . GLU 157 157 50620 1 . ASP 158 158 50620 1 . PHE 159 159 50620 1 . GLN 160 160 50620 1 . GLU 161 161 50620 1 . ASN 162 162 50620 1 . TRP 163 163 50620 1 . ASN 164 164 50620 1 . THR 165 165 50620 1 . LYS 166 166 50620 1 . HIS 167 167 50620 1 . SER 168 168 50620 1 . SER 169 169 50620 1 . GLY 170 170 50620 1 . VAL 171 171 50620 1 . THR 172 172 50620 1 . ARG 173 173 50620 1 . GLU 174 174 50620 1 . LEU 175 175 50620 1 . MET 176 176 50620 1 . ARG 177 177 50620 1 . GLU 178 178 50620 1 . LEU 179 179 50620 1 . ASN 180 180 50620 1 . GLY 181 181 50620 1 . GLY 182 182 50620 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 50620 _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 . 2697049 organism . 'SARS coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS 'SARS coronavirus 2' . . . . . . . . . . . . 50620 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 50620 _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 . . pETM11 . . . 50620 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50620 _Sample.ID 1 _Sample.Name 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _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 Nsp1 '[U-13C; U-15N]' . . 1 $entity_1 . . 350 300 400 uM . . . . 50620 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 50620 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 50620 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 50620 1 5 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 50620 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 50620 1 7 DSS 'natural abundance' . . . . . . 0.001 . . % . . . . 50620 1 8 D2O [U-2H] . . . . . . 10 . . % . . . . 50620 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 50620 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 50620 1 pressure 1 . atm 50620 1 temperature 298 . K 50620 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50620 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50620 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50620 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 10.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50620 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50620 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50620 3 'peak picking' . 50620 3 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 50620 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50620 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 850 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _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 50620 _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 . . . . . . . . . . . . . . . . . 50620 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50620 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50620 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50620 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50620 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50620 1 7 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50620 1 8 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50620 1 9 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50620 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 50620 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 internal indirect 0.25144953 . . . . . 50620 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 50620 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.10329118 . . . . . 50620 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 50620 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50620 1 2 '2D 1H-15N HSQC' . . . 50620 1 3 '3D HNCO' . . . 50620 1 4 '3D HNCO' . . . 50620 1 5 '3D HNCA' . . . 50620 1 6 '3D HNCACB' . . . 50620 1 7 '3D HN(CO)CA' . . . 50620 1 8 '3D HN(CO)CACB' . . . 50620 1 9 '3D HN(CA)CO' . . . 50620 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 3 $software_3 . . 50620 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 2 2 ALA C C 13 178.055 0.001 . 1 . . . . . 0 ALA C . 50620 1 2 . 1 . 1 2 2 ALA CA C 13 52.860 0.005 . 1 . . . . . 0 ALA CA . 50620 1 3 . 1 . 1 2 2 ALA CB C 13 19.382 0.000 . 1 . . . . . 0 ALA CB . 50620 1 4 . 1 . 1 3 3 MET H H 1 8.534 0.001 . 1 . . . . . 1 MET H . 50620 1 5 . 1 . 1 3 3 MET C C 13 176.483 0.001 . 1 . . . . . 1 MET C . 50620 1 6 . 1 . 1 3 3 MET CA C 13 55.815 0.013 . 1 . . . . . 1 MET CA . 50620 1 7 . 1 . 1 3 3 MET CB C 13 32.655 0.004 . 1 . . . . . 1 MET CB . 50620 1 8 . 1 . 1 3 3 MET N N 15 119.393 0.004 . 1 . . . . . 1 MET N . 50620 1 9 . 1 . 1 4 4 GLU H H 1 8.426 0.001 . 1 . . . . . 2 GLU H . 50620 1 10 . 1 . 1 4 4 GLU C C 13 176.474 0.006 . 1 . . . . . 2 GLU C . 50620 1 11 . 1 . 1 4 4 GLU CA C 13 56.996 0.004 . 1 . . . . . 2 GLU CA . 50620 1 12 . 1 . 1 4 4 GLU CB C 13 30.251 0.004 . 1 . . . . . 2 GLU CB . 50620 1 13 . 1 . 1 4 4 GLU N N 15 121.930 0.011 . 1 . . . . . 2 GLU N . 50620 1 14 . 1 . 1 5 5 SER H H 1 8.252 0.000 . 1 . . . . . 3 SER H . 50620 1 15 . 1 . 1 5 5 SER C C 13 174.265 0.001 . 1 . . . . . 3 SER C . 50620 1 16 . 1 . 1 5 5 SER CA C 13 58.300 0.010 . 1 . . . . . 3 SER CA . 50620 1 17 . 1 . 1 5 5 SER CB C 13 63.792 0.006 . 1 . . . . . 3 SER CB . 50620 1 18 . 1 . 1 5 5 SER N N 15 116.305 0.007 . 1 . . . . . 3 SER N . 50620 1 19 . 1 . 1 6 6 LEU H H 1 8.212 0.001 . 1 . . . . . 4 LEU H . 50620 1 20 . 1 . 1 6 6 LEU C C 13 177.063 0.002 . 1 . . . . . 4 LEU C . 50620 1 21 . 1 . 1 6 6 LEU CA C 13 55.245 0.015 . 1 . . . . . 4 LEU CA . 50620 1 22 . 1 . 1 6 6 LEU CB C 13 42.409 0.019 . 1 . . . . . 4 LEU CB . 50620 1 23 . 1 . 1 6 6 LEU N N 15 124.199 0.014 . 1 . . . . . 4 LEU N . 50620 1 24 . 1 . 1 7 7 VAL H H 1 8.117 0.001 . 1 . . . . . 5 VAL H . 50620 1 25 . 1 . 1 7 7 VAL C C 13 174.329 0.000 . 1 . . . . . 5 VAL C . 50620 1 26 . 1 . 1 7 7 VAL CA C 13 59.822 0.001 . 1 . . . . . 5 VAL CA . 50620 1 27 . 1 . 1 7 7 VAL CB C 13 32.594 0.000 . 1 . . . . . 5 VAL CB . 50620 1 28 . 1 . 1 7 7 VAL N N 15 122.277 0.014 . 1 . . . . . 5 VAL N . 50620 1 29 . 1 . 1 8 8 PRO C C 13 177.449 0.001 . 1 . . . . . 6 PRO C . 50620 1 30 . 1 . 1 8 8 PRO CA C 13 63.535 0.010 . 1 . . . . . 6 PRO CA . 50620 1 31 . 1 . 1 8 8 PRO CB C 13 32.144 0.000 . 1 . . . . . 6 PRO CB . 50620 1 32 . 1 . 1 9 9 GLY H H 1 8.489 0.001 . 1 . . . . . 7 GLY H . 50620 1 33 . 1 . 1 9 9 GLY C C 13 173.543 0.003 . 1 . . . . . 7 GLY C . 50620 1 34 . 1 . 1 9 9 GLY CA C 13 45.239 0.009 . 1 . . . . . 7 GLY CA . 50620 1 35 . 1 . 1 9 9 GLY N N 15 109.151 0.003 . 1 . . . . . 7 GLY N . 50620 1 36 . 1 . 1 10 10 PHE H H 1 7.821 0.004 . 1 . . . . . 8 PHE H . 50620 1 37 . 1 . 1 10 10 PHE C C 13 174.086 0.032 . 1 . . . . . 8 PHE C . 50620 1 38 . 1 . 1 10 10 PHE CA C 13 57.013 0.010 . 1 . . . . . 8 PHE CA . 50620 1 39 . 1 . 1 10 10 PHE CB C 13 39.938 0.005 . 1 . . . . . 8 PHE CB . 50620 1 40 . 1 . 1 10 10 PHE N N 15 118.601 0.015 . 1 . . . . . 8 PHE N . 50620 1 41 . 1 . 1 11 11 ASN H H 1 8.627 0.002 . 1 . . . . . 9 ASN H . 50620 1 42 . 1 . 1 11 11 ASN C C 13 175.077 0.001 . 1 . . . . . 9 ASN C . 50620 1 43 . 1 . 1 11 11 ASN CA C 13 52.794 0.018 . 1 . . . . . 9 ASN CA . 50620 1 44 . 1 . 1 11 11 ASN CB C 13 38.899 0.015 . 1 . . . . . 9 ASN CB . 50620 1 45 . 1 . 1 11 11 ASN N N 15 121.394 0.016 . 1 . . . . . 9 ASN N . 50620 1 46 . 1 . 1 12 12 GLU H H 1 8.611 0.003 . 1 . . . . . 10 GLU H . 50620 1 47 . 1 . 1 12 12 GLU C C 13 176.916 0.003 . 1 . . . . . 10 GLU C . 50620 1 48 . 1 . 1 12 12 GLU CA C 13 57.599 0.023 . 1 . . . . . 10 GLU CA . 50620 1 49 . 1 . 1 12 12 GLU CB C 13 29.550 0.014 . 1 . . . . . 10 GLU CB . 50620 1 50 . 1 . 1 12 12 GLU N N 15 123.469 0.032 . 1 . . . . . 10 GLU N . 50620 1 51 . 1 . 1 13 13 LYS H H 1 8.430 0.003 . 1 . . . . . 11 LYS H . 50620 1 52 . 1 . 1 13 13 LYS C C 13 178.183 0.026 . 1 . . . . . 11 LYS C . 50620 1 53 . 1 . 1 13 13 LYS CA C 13 57.614 0.034 . 1 . . . . . 11 LYS CA . 50620 1 54 . 1 . 1 13 13 LYS CB C 13 32.626 0.013 . 1 . . . . . 11 LYS CB . 50620 1 55 . 1 . 1 13 13 LYS N N 15 118.004 0.018 . 1 . . . . . 11 LYS N . 50620 1 56 . 1 . 1 14 14 THR H H 1 7.697 0.004 . 1 . . . . . 12 THR H . 50620 1 57 . 1 . 1 14 14 THR C C 13 174.637 0.008 . 1 . . . . . 12 THR C . 50620 1 58 . 1 . 1 14 14 THR CA C 13 62.346 0.026 . 1 . . . . . 12 THR CA . 50620 1 59 . 1 . 1 14 14 THR CB C 13 69.999 0.013 . 1 . . . . . 12 THR CB . 50620 1 60 . 1 . 1 14 14 THR N N 15 107.474 0.034 . 1 . . . . . 12 THR N . 50620 1 61 . 1 . 1 15 15 HIS H H 1 8.248 0.004 . 1 . . . . . 13 HIS H . 50620 1 62 . 1 . 1 15 15 HIS C C 13 173.530 0.011 . 1 . . . . . 13 HIS C . 50620 1 63 . 1 . 1 15 15 HIS CA C 13 56.497 0.018 . 1 . . . . . 13 HIS CA . 50620 1 64 . 1 . 1 15 15 HIS CB C 13 34.898 0.014 . 1 . . . . . 13 HIS CB . 50620 1 65 . 1 . 1 15 15 HIS N N 15 122.245 0.016 . 1 . . . . . 13 HIS N . 50620 1 66 . 1 . 1 16 16 VAL H H 1 8.958 0.004 . 1 . . . . . 14 VAL H . 50620 1 67 . 1 . 1 16 16 VAL C C 13 173.730 0.027 . 1 . . . . . 14 VAL C . 50620 1 68 . 1 . 1 16 16 VAL CA C 13 59.848 0.024 . 1 . . . . . 14 VAL CA . 50620 1 69 . 1 . 1 16 16 VAL CB C 13 35.112 0.066 . 1 . . . . . 14 VAL CB . 50620 1 70 . 1 . 1 16 16 VAL N N 15 117.146 0.016 . 1 . . . . . 14 VAL N . 50620 1 71 . 1 . 1 17 17 GLN H H 1 8.611 0.003 . 1 . . . . . 15 GLN H . 50620 1 72 . 1 . 1 17 17 GLN C C 13 174.860 0.016 . 1 . . . . . 15 GLN C . 50620 1 73 . 1 . 1 17 17 GLN CA C 13 55.206 0.028 . 1 . . . . . 15 GLN CA . 50620 1 74 . 1 . 1 17 17 GLN CB C 13 30.114 0.024 . 1 . . . . . 15 GLN CB . 50620 1 75 . 1 . 1 17 17 GLN N N 15 125.952 0.017 . 1 . . . . . 15 GLN N . 50620 1 76 . 1 . 1 18 18 LEU H H 1 8.949 0.002 . 1 . . . . . 16 LEU H . 50620 1 77 . 1 . 1 18 18 LEU C C 13 175.657 0.004 . 1 . . . . . 16 LEU C . 50620 1 78 . 1 . 1 18 18 LEU CA C 13 53.834 0.009 . 1 . . . . . 16 LEU CA . 50620 1 79 . 1 . 1 18 18 LEU CB C 13 45.854 0.013 . 1 . . . . . 16 LEU CB . 50620 1 80 . 1 . 1 18 18 LEU N N 15 125.585 0.022 . 1 . . . . . 16 LEU N . 50620 1 81 . 1 . 1 19 19 SER H H 1 8.626 0.001 . 1 . . . . . 17 SER H . 50620 1 82 . 1 . 1 19 19 SER C C 13 174.219 0.000 . 1 . . . . . 17 SER C . 50620 1 83 . 1 . 1 19 19 SER CA C 13 56.617 0.019 . 1 . . . . . 17 SER CA . 50620 1 84 . 1 . 1 19 19 SER CB C 13 63.369 0.008 . 1 . . . . . 17 SER CB . 50620 1 85 . 1 . 1 19 19 SER N N 15 117.045 0.007 . 1 . . . . . 17 SER N . 50620 1 86 . 1 . 1 20 20 LEU H H 1 9.182 0.002 . 1 . . . . . 18 LEU H . 50620 1 87 . 1 . 1 20 20 LEU C C 13 173.966 0.000 . 1 . . . . . 18 LEU C . 50620 1 88 . 1 . 1 20 20 LEU CA C 13 51.470 0.008 . 1 . . . . . 18 LEU CA . 50620 1 89 . 1 . 1 20 20 LEU CB C 13 43.752 0.000 . 1 . . . . . 18 LEU CB . 50620 1 90 . 1 . 1 20 20 LEU N N 15 126.862 0.017 . 1 . . . . . 18 LEU N . 50620 1 91 . 1 . 1 21 21 PRO C C 13 174.363 0.000 . 1 . . . . . 19 PRO C . 50620 1 92 . 1 . 1 21 21 PRO CA C 13 62.159 0.003 . 1 . . . . . 19 PRO CA . 50620 1 93 . 1 . 1 21 21 PRO CB C 13 32.028 0.000 . 1 . . . . . 19 PRO CB . 50620 1 94 . 1 . 1 22 22 VAL H H 1 8.430 0.002 . 1 . . . . . 20 VAL H . 50620 1 95 . 1 . 1 22 22 VAL C C 13 174.966 0.004 . 1 . . . . . 20 VAL C . 50620 1 96 . 1 . 1 22 22 VAL CA C 13 61.069 0.018 . 1 . . . . . 20 VAL CA . 50620 1 97 . 1 . 1 22 22 VAL CB C 13 31.621 0.023 . 1 . . . . . 20 VAL CB . 50620 1 98 . 1 . 1 22 22 VAL N N 15 124.890 0.009 . 1 . . . . . 20 VAL N . 50620 1 99 . 1 . 1 23 23 LEU H H 1 8.873 0.002 . 1 . . . . . 21 LEU H . 50620 1 100 . 1 . 1 23 23 LEU C C 13 176.679 0.010 . 1 . . . . . 21 LEU C . 50620 1 101 . 1 . 1 23 23 LEU CA C 13 51.830 0.017 . 1 . . . . . 21 LEU CA . 50620 1 102 . 1 . 1 23 23 LEU CB C 13 43.022 0.015 . 1 . . . . . 21 LEU CB . 50620 1 103 . 1 . 1 23 23 LEU N N 15 126.076 0.006 . 1 . . . . . 21 LEU N . 50620 1 104 . 1 . 1 24 24 GLN H H 1 9.118 0.002 . 1 . . . . . 22 GLN H . 50620 1 105 . 1 . 1 24 24 GLN C C 13 178.529 0.004 . 1 . . . . . 22 GLN C . 50620 1 106 . 1 . 1 24 24 GLN CA C 13 55.360 0.013 . 1 . . . . . 22 GLN CA . 50620 1 107 . 1 . 1 24 24 GLN CB C 13 29.046 0.036 . 1 . . . . . 22 GLN CB . 50620 1 108 . 1 . 1 24 24 GLN N N 15 121.071 0.013 . 1 . . . . . 22 GLN N . 50620 1 109 . 1 . 1 25 25 VAL H H 1 9.082 0.001 . 1 . . . . . 23 VAL H . 50620 1 110 . 1 . 1 25 25 VAL C C 13 175.937 0.008 . 1 . . . . . 23 VAL C . 50620 1 111 . 1 . 1 25 25 VAL CA C 13 65.768 0.024 . 1 . . . . . 23 VAL CA . 50620 1 112 . 1 . 1 25 25 VAL CB C 13 31.052 0.013 . 1 . . . . . 23 VAL CB . 50620 1 113 . 1 . 1 25 25 VAL N N 15 125.788 0.013 . 1 . . . . . 23 VAL N . 50620 1 114 . 1 . 1 26 26 ARG H H 1 8.082 0.001 . 1 . . . . . 24 ARG H . 50620 1 115 . 1 . 1 26 26 ARG C C 13 176.805 0.003 . 1 . . . . . 24 ARG C . 50620 1 116 . 1 . 1 26 26 ARG CA C 13 57.979 0.015 . 1 . . . . . 24 ARG CA . 50620 1 117 . 1 . 1 26 26 ARG CB C 13 29.693 0.017 . 1 . . . . . 24 ARG CB . 50620 1 118 . 1 . 1 26 26 ARG N N 15 117.759 0.011 . 1 . . . . . 24 ARG N . 50620 1 119 . 1 . 1 27 27 ASP H H 1 7.683 0.002 . 1 . . . . . 25 ASP H . 50620 1 120 . 1 . 1 27 27 ASP C C 13 176.344 0.009 . 1 . . . . . 25 ASP C . 50620 1 121 . 1 . 1 27 27 ASP CA C 13 54.765 0.017 . 1 . . . . . 25 ASP CA . 50620 1 122 . 1 . 1 27 27 ASP CB C 13 42.083 0.014 . 1 . . . . . 25 ASP CB . 50620 1 123 . 1 . 1 27 27 ASP N N 15 117.075 0.014 . 1 . . . . . 25 ASP N . 50620 1 124 . 1 . 1 28 28 VAL H H 1 6.876 0.002 . 1 . . . . . 26 VAL H . 50620 1 125 . 1 . 1 28 28 VAL C C 13 177.221 0.001 . 1 . . . . . 26 VAL C . 50620 1 126 . 1 . 1 28 28 VAL CA C 13 64.035 0.018 . 1 . . . . . 26 VAL CA . 50620 1 127 . 1 . 1 28 28 VAL CB C 13 31.863 0.038 . 1 . . . . . 26 VAL CB . 50620 1 128 . 1 . 1 28 28 VAL N N 15 118.282 0.012 . 1 . . . . . 26 VAL N . 50620 1 129 . 1 . 1 29 29 LEU H H 1 9.368 0.003 . 1 . . . . . 27 LEU H . 50620 1 130 . 1 . 1 29 29 LEU C C 13 177.866 0.000 . 1 . . . . . 27 LEU C . 50620 1 131 . 1 . 1 29 29 LEU CA C 13 57.290 0.030 . 1 . . . . . 27 LEU CA . 50620 1 132 . 1 . 1 29 29 LEU CB C 13 42.904 0.023 . 1 . . . . . 27 LEU CB . 50620 1 133 . 1 . 1 29 29 LEU N N 15 131.796 0.011 . 1 . . . . . 27 LEU N . 50620 1 134 . 1 . 1 30 30 VAL H H 1 10.018 0.004 . 1 . . . . . 28 VAL H . 50620 1 135 . 1 . 1 30 30 VAL C C 13 174.873 0.003 . 1 . . . . . 28 VAL C . 50620 1 136 . 1 . 1 30 30 VAL CA C 13 62.812 0.030 . 1 . . . . . 28 VAL CA . 50620 1 137 . 1 . 1 30 30 VAL CB C 13 31.602 0.039 . 1 . . . . . 28 VAL CB . 50620 1 138 . 1 . 1 30 30 VAL N N 15 126.679 0.012 . 1 . . . . . 28 VAL N . 50620 1 139 . 1 . 1 31 31 ARG H H 1 8.043 0.001 . 1 . . . . . 29 ARG H . 50620 1 140 . 1 . 1 31 31 ARG C C 13 175.282 0.004 . 1 . . . . . 29 ARG C . 50620 1 141 . 1 . 1 31 31 ARG CA C 13 57.129 0.007 . 1 . . . . . 29 ARG CA . 50620 1 142 . 1 . 1 31 31 ARG CB C 13 29.964 0.021 . 1 . . . . . 29 ARG CB . 50620 1 143 . 1 . 1 31 31 ARG N N 15 119.776 0.014 . 1 . . . . . 29 ARG N . 50620 1 144 . 1 . 1 32 32 GLY H H 1 7.235 0.003 . 1 . . . . . 30 GLY H . 50620 1 145 . 1 . 1 32 32 GLY C C 13 172.079 0.002 . 1 . . . . . 30 GLY C . 50620 1 146 . 1 . 1 32 32 GLY CA C 13 45.315 0.006 . 1 . . . . . 30 GLY CA . 50620 1 147 . 1 . 1 32 32 GLY N N 15 106.009 0.005 . 1 . . . . . 30 GLY N . 50620 1 148 . 1 . 1 33 33 PHE H H 1 9.686 0.002 . 1 . . . . . 31 PHE H . 50620 1 149 . 1 . 1 33 33 PHE C C 13 175.521 0.002 . 1 . . . . . 31 PHE C . 50620 1 150 . 1 . 1 33 33 PHE CA C 13 59.485 0.020 . 1 . . . . . 31 PHE CA . 50620 1 151 . 1 . 1 33 33 PHE CB C 13 41.036 0.010 . 1 . . . . . 31 PHE CB . 50620 1 152 . 1 . 1 33 33 PHE N N 15 115.623 0.010 . 1 . . . . . 31 PHE N . 50620 1 153 . 1 . 1 34 34 GLY H H 1 7.494 0.002 . 1 . . . . . 32 GLY H . 50620 1 154 . 1 . 1 34 34 GLY C C 13 172.516 0.001 . 1 . . . . . 32 GLY C . 50620 1 155 . 1 . 1 34 34 GLY CA C 13 45.659 0.006 . 1 . . . . . 32 GLY CA . 50620 1 156 . 1 . 1 34 34 GLY N N 15 106.840 0.011 . 1 . . . . . 32 GLY N . 50620 1 157 . 1 . 1 35 35 ASP H H 1 8.442 0.002 . 1 . . . . . 33 ASP H . 50620 1 158 . 1 . 1 35 35 ASP C C 13 175.686 0.015 . 1 . . . . . 33 ASP C . 50620 1 159 . 1 . 1 35 35 ASP CA C 13 55.109 0.019 . 1 . . . . . 33 ASP CA . 50620 1 160 . 1 . 1 35 35 ASP CB C 13 43.021 0.011 . 1 . . . . . 33 ASP CB . 50620 1 161 . 1 . 1 35 35 ASP N N 15 115.599 0.028 . 1 . . . . . 33 ASP N . 50620 1 162 . 1 . 1 36 36 SER H H 1 7.511 0.002 . 1 . . . . . 34 SER H . 50620 1 163 . 1 . 1 36 36 SER C C 13 174.365 0.007 . 1 . . . . . 34 SER C . 50620 1 164 . 1 . 1 36 36 SER CA C 13 56.253 0.020 . 1 . . . . . 34 SER CA . 50620 1 165 . 1 . 1 36 36 SER CB C 13 66.152 0.002 . 1 . . . . . 34 SER CB . 50620 1 166 . 1 . 1 36 36 SER N N 15 112.161 0.009 . 1 . . . . . 34 SER N . 50620 1 167 . 1 . 1 37 37 VAL H H 1 9.125 0.001 . 1 . . . . . 35 VAL H . 50620 1 168 . 1 . 1 37 37 VAL C C 13 176.172 0.005 . 1 . . . . . 35 VAL C . 50620 1 169 . 1 . 1 37 37 VAL CA C 13 67.348 0.025 . 1 . . . . . 35 VAL CA . 50620 1 170 . 1 . 1 37 37 VAL CB C 13 31.503 0.004 . 1 . . . . . 35 VAL CB . 50620 1 171 . 1 . 1 37 37 VAL N N 15 123.990 0.011 . 1 . . . . . 35 VAL N . 50620 1 172 . 1 . 1 38 38 GLU H H 1 8.715 0.001 . 1 . . . . . 36 GLU H . 50620 1 173 . 1 . 1 38 38 GLU C C 13 179.445 0.004 . 1 . . . . . 36 GLU C . 50620 1 174 . 1 . 1 38 38 GLU CA C 13 59.941 0.011 . 1 . . . . . 36 GLU CA . 50620 1 175 . 1 . 1 38 38 GLU CB C 13 29.063 0.015 . 1 . . . . . 36 GLU CB . 50620 1 176 . 1 . 1 38 38 GLU N N 15 116.995 0.011 . 1 . . . . . 36 GLU N . 50620 1 177 . 1 . 1 39 39 GLU H H 1 7.542 0.001 . 1 . . . . . 37 GLU H . 50620 1 178 . 1 . 1 39 39 GLU C C 13 178.691 0.008 . 1 . . . . . 37 GLU C . 50620 1 179 . 1 . 1 39 39 GLU CA C 13 59.046 0.026 . 1 . . . . . 37 GLU CA . 50620 1 180 . 1 . 1 39 39 GLU CB C 13 30.948 0.000 . 1 . . . . . 37 GLU CB . 50620 1 181 . 1 . 1 39 39 GLU N N 15 119.105 0.009 . 1 . . . . . 37 GLU N . 50620 1 182 . 1 . 1 40 40 VAL H H 1 8.492 0.001 . 1 . . . . . 38 VAL H . 50620 1 183 . 1 . 1 40 40 VAL C C 13 177.991 0.004 . 1 . . . . . 38 VAL C . 50620 1 184 . 1 . 1 40 40 VAL CA C 13 65.690 0.028 . 1 . . . . . 38 VAL CA . 50620 1 185 . 1 . 1 40 40 VAL CB C 13 30.149 0.012 . 1 . . . . . 38 VAL CB . 50620 1 186 . 1 . 1 40 40 VAL N N 15 112.308 0.019 . 1 . . . . . 38 VAL N . 50620 1 187 . 1 . 1 41 41 LEU H H 1 7.579 0.003 . 1 . . . . . 39 LEU H . 50620 1 188 . 1 . 1 41 41 LEU C C 13 178.690 0.011 . 1 . . . . . 39 LEU C . 50620 1 189 . 1 . 1 41 41 LEU CA C 13 58.166 0.013 . 1 . . . . . 39 LEU CA . 50620 1 190 . 1 . 1 41 41 LEU CB C 13 41.857 0.026 . 1 . . . . . 39 LEU CB . 50620 1 191 . 1 . 1 41 41 LEU N N 15 120.776 0.014 . 1 . . . . . 39 LEU N . 50620 1 192 . 1 . 1 42 42 SER H H 1 7.474 0.002 . 1 . . . . . 40 SER H . 50620 1 193 . 1 . 1 42 42 SER C C 13 178.489 0.015 . 1 . . . . . 40 SER C . 50620 1 194 . 1 . 1 42 42 SER CA C 13 61.560 0.015 . 1 . . . . . 40 SER CA . 50620 1 195 . 1 . 1 42 42 SER CB C 13 62.723 0.009 . 1 . . . . . 40 SER CB . 50620 1 196 . 1 . 1 42 42 SER N N 15 113.748 0.008 . 1 . . . . . 40 SER N . 50620 1 197 . 1 . 1 43 43 GLU H H 1 8.685 0.002 . 1 . . . . . 41 GLU H . 50620 1 198 . 1 . 1 43 43 GLU C C 13 179.568 0.003 . 1 . . . . . 41 GLU C . 50620 1 199 . 1 . 1 43 43 GLU CA C 13 58.633 0.012 . 1 . . . . . 41 GLU CA . 50620 1 200 . 1 . 1 43 43 GLU CB C 13 30.706 0.011 . 1 . . . . . 41 GLU CB . 50620 1 201 . 1 . 1 43 43 GLU N N 15 121.256 0.010 . 1 . . . . . 41 GLU N . 50620 1 202 . 1 . 1 44 44 ALA H H 1 8.439 0.002 . 1 . . . . . 42 ALA H . 50620 1 203 . 1 . 1 44 44 ALA C C 13 179.283 0.007 . 1 . . . . . 42 ALA C . 50620 1 204 . 1 . 1 44 44 ALA CA C 13 55.695 0.018 . 1 . . . . . 42 ALA CA . 50620 1 205 . 1 . 1 44 44 ALA CB C 13 18.404 0.016 . 1 . . . . . 42 ALA CB . 50620 1 206 . 1 . 1 44 44 ALA N N 15 124.104 0.013 . 1 . . . . . 42 ALA N . 50620 1 207 . 1 . 1 45 45 ARG H H 1 7.724 0.002 . 1 . . . . . 43 ARG H . 50620 1 208 . 1 . 1 45 45 ARG C C 13 178.851 0.021 . 1 . . . . . 43 ARG C . 50620 1 209 . 1 . 1 45 45 ARG CA C 13 60.474 0.020 . 1 . . . . . 43 ARG CA . 50620 1 210 . 1 . 1 45 45 ARG CB C 13 29.943 0.000 . 1 . . . . . 43 ARG CB . 50620 1 211 . 1 . 1 45 45 ARG N N 15 114.938 0.011 . 1 . . . . . 43 ARG N . 50620 1 212 . 1 . 1 46 46 GLN H H 1 7.688 0.002 . 1 . . . . . 44 GLN H . 50620 1 213 . 1 . 1 46 46 GLN C C 13 177.872 0.000 . 1 . . . . . 44 GLN C . 50620 1 214 . 1 . 1 46 46 GLN CA C 13 58.774 0.017 . 1 . . . . . 44 GLN CA . 50620 1 215 . 1 . 1 46 46 GLN CB C 13 28.370 0.007 . 1 . . . . . 44 GLN CB . 50620 1 216 . 1 . 1 46 46 GLN N N 15 119.585 0.017 . 1 . . . . . 44 GLN N . 50620 1 217 . 1 . 1 47 47 HIS H H 1 8.348 0.002 . 1 . . . . . 45 HIS H . 50620 1 218 . 1 . 1 47 47 HIS C C 13 178.287 0.011 . 1 . . . . . 45 HIS C . 50620 1 219 . 1 . 1 47 47 HIS CA C 13 59.397 0.013 . 1 . . . . . 45 HIS CA . 50620 1 220 . 1 . 1 47 47 HIS CB C 13 28.849 0.034 . 1 . . . . . 45 HIS CB . 50620 1 221 . 1 . 1 47 47 HIS N N 15 116.690 0.019 . 1 . . . . . 45 HIS N . 50620 1 222 . 1 . 1 48 48 LEU H H 1 8.735 0.002 . 1 . . . . . 46 LEU H . 50620 1 223 . 1 . 1 48 48 LEU C C 13 179.576 0.005 . 1 . . . . . 46 LEU C . 50620 1 224 . 1 . 1 48 48 LEU CA C 13 58.282 0.021 . 1 . . . . . 46 LEU CA . 50620 1 225 . 1 . 1 48 48 LEU CB C 13 41.771 0.011 . 1 . . . . . 46 LEU CB . 50620 1 226 . 1 . 1 48 48 LEU N N 15 121.856 0.006 . 1 . . . . . 46 LEU N . 50620 1 227 . 1 . 1 49 49 LYS H H 1 7.633 0.004 . 1 . . . . . 47 LYS H . 50620 1 228 . 1 . 1 49 49 LYS C C 13 178.274 0.008 . 1 . . . . . 47 LYS C . 50620 1 229 . 1 . 1 49 49 LYS CA C 13 59.344 0.018 . 1 . . . . . 47 LYS CA . 50620 1 230 . 1 . 1 49 49 LYS CB C 13 32.152 0.008 . 1 . . . . . 47 LYS CB . 50620 1 231 . 1 . 1 49 49 LYS N N 15 120.163 0.029 . 1 . . . . . 47 LYS N . 50620 1 232 . 1 . 1 50 50 ASP H H 1 7.962 0.002 . 1 . . . . . 48 ASP H . 50620 1 233 . 1 . 1 50 50 ASP C C 13 176.938 0.007 . 1 . . . . . 48 ASP C . 50620 1 234 . 1 . 1 50 50 ASP CA C 13 54.821 0.024 . 1 . . . . . 48 ASP CA . 50620 1 235 . 1 . 1 50 50 ASP CB C 13 41.529 0.012 . 1 . . . . . 48 ASP CB . 50620 1 236 . 1 . 1 50 50 ASP N N 15 116.776 0.013 . 1 . . . . . 48 ASP N . 50620 1 237 . 1 . 1 51 51 GLY H H 1 7.849 0.002 . 1 . . . . . 49 GLY H . 50620 1 238 . 1 . 1 51 51 GLY C C 13 176.303 0.003 . 1 . . . . . 49 GLY C . 50620 1 239 . 1 . 1 51 51 GLY CA C 13 46.898 0.005 . 1 . . . . . 49 GLY CA . 50620 1 240 . 1 . 1 51 51 GLY N N 15 108.783 0.011 . 1 . . . . . 49 GLY N . 50620 1 241 . 1 . 1 52 52 THR H H 1 8.901 0.003 . 1 . . . . . 50 THR H . 50620 1 242 . 1 . 1 52 52 THR C C 13 174.430 0.001 . 1 . . . . . 50 THR C . 50620 1 243 . 1 . 1 52 52 THR CA C 13 60.174 0.018 . 1 . . . . . 50 THR CA . 50620 1 244 . 1 . 1 52 52 THR CB C 13 67.473 0.005 . 1 . . . . . 50 THR CB . 50620 1 245 . 1 . 1 52 52 THR N N 15 110.632 0.017 . 1 . . . . . 50 THR N . 50620 1 246 . 1 . 1 53 53 CYS H H 1 8.482 0.001 . 1 . . . . . 51 CYS H . 50620 1 247 . 1 . 1 53 53 CYS C C 13 173.054 0.006 . 1 . . . . . 51 CYS C . 50620 1 248 . 1 . 1 53 53 CYS CA C 13 57.682 0.025 . 1 . . . . . 51 CYS CA . 50620 1 249 . 1 . 1 53 53 CYS CB C 13 30.822 0.005 . 1 . . . . . 51 CYS CB . 50620 1 250 . 1 . 1 53 53 CYS N N 15 121.801 0.019 . 1 . . . . . 51 CYS N . 50620 1 251 . 1 . 1 54 54 GLY H H 1 9.787 0.002 . 1 . . . . . 52 GLY H . 50620 1 252 . 1 . 1 54 54 GLY C C 13 169.918 0.007 . 1 . . . . . 52 GLY C . 50620 1 253 . 1 . 1 54 54 GLY CA C 13 43.687 0.006 . 1 . . . . . 52 GLY CA . 50620 1 254 . 1 . 1 54 54 GLY N N 15 113.412 0.018 . 1 . . . . . 52 GLY N . 50620 1 255 . 1 . 1 55 55 LEU H H 1 8.777 0.002 . 1 . . . . . 53 LEU H . 50620 1 256 . 1 . 1 55 55 LEU C C 13 174.118 0.002 . 1 . . . . . 53 LEU C . 50620 1 257 . 1 . 1 55 55 LEU CA C 13 53.406 0.019 . 1 . . . . . 53 LEU CA . 50620 1 258 . 1 . 1 55 55 LEU CB C 13 47.047 0.001 . 1 . . . . . 53 LEU CB . 50620 1 259 . 1 . 1 55 55 LEU N N 15 120.309 0.019 . 1 . . . . . 53 LEU N . 50620 1 260 . 1 . 1 56 56 VAL H H 1 9.446 0.002 . 1 . . . . . 54 VAL H . 50620 1 261 . 1 . 1 56 56 VAL C C 13 176.361 0.005 . 1 . . . . . 54 VAL C . 50620 1 262 . 1 . 1 56 56 VAL CA C 13 60.242 0.013 . 1 . . . . . 54 VAL CA . 50620 1 263 . 1 . 1 56 56 VAL CB C 13 33.591 0.026 . 1 . . . . . 54 VAL CB . 50620 1 264 . 1 . 1 56 56 VAL N N 15 125.310 0.012 . 1 . . . . . 54 VAL N . 50620 1 265 . 1 . 1 57 57 GLU H H 1 8.974 0.001 . 1 . . . . . 55 GLU H . 50620 1 266 . 1 . 1 57 57 GLU C C 13 176.832 0.003 . 1 . . . . . 55 GLU C . 50620 1 267 . 1 . 1 57 57 GLU CA C 13 57.708 0.022 . 1 . . . . . 55 GLU CA . 50620 1 268 . 1 . 1 57 57 GLU CB C 13 29.691 0.031 . 1 . . . . . 55 GLU CB . 50620 1 269 . 1 . 1 57 57 GLU N N 15 126.694 0.011 . 1 . . . . . 55 GLU N . 50620 1 270 . 1 . 1 58 58 VAL H H 1 8.644 0.004 . 1 . . . . . 56 VAL H . 50620 1 271 . 1 . 1 58 58 VAL C C 13 174.828 0.017 . 1 . . . . . 56 VAL C . 50620 1 272 . 1 . 1 58 58 VAL CA C 13 64.366 0.024 . 1 . . . . . 56 VAL CA . 50620 1 273 . 1 . 1 58 58 VAL N N 15 122.043 0.026 . 1 . . . . . 56 VAL N . 50620 1 274 . 1 . 1 59 59 GLU H H 1 6.891 0.011 . 1 . . . . . 57 GLU H . 50620 1 275 . 1 . 1 59 59 GLU C C 13 175.756 0.013 . 1 . . . . . 57 GLU C . 50620 1 276 . 1 . 1 59 59 GLU CA C 13 54.184 0.045 . 1 . . . . . 57 GLU CA . 50620 1 277 . 1 . 1 59 59 GLU CB C 13 33.023 0.000 . 1 . . . . . 57 GLU CB . 50620 1 278 . 1 . 1 59 59 GLU N N 15 124.235 0.027 . 1 . . . . . 57 GLU N . 50620 1 279 . 1 . 1 60 60 LYS H H 1 8.958 0.005 . 1 . . . . . 58 LYS H . 50620 1 280 . 1 . 1 60 60 LYS C C 13 177.727 0.000 . 1 . . . . . 58 LYS C . 50620 1 281 . 1 . 1 60 60 LYS CA C 13 59.120 0.032 . 1 . . . . . 58 LYS CA . 50620 1 282 . 1 . 1 60 60 LYS CB C 13 31.921 0.000 . 1 . . . . . 58 LYS CB . 50620 1 283 . 1 . 1 60 60 LYS N N 15 123.732 0.029 . 1 . . . . . 58 LYS N . 50620 1 284 . 1 . 1 61 61 GLY C C 13 175.685 0.000 . 1 . . . . . 59 GLY C . 50620 1 285 . 1 . 1 61 61 GLY CA C 13 45.451 0.005 . 1 . . . . . 59 GLY CA . 50620 1 286 . 1 . 1 62 62 VAL H H 1 7.951 0.002 . 1 . . . . . 60 VAL H . 50620 1 287 . 1 . 1 62 62 VAL CA C 13 66.490 0.013 . 1 . . . . . 60 VAL CA . 50620 1 288 . 1 . 1 62 62 VAL CB C 13 32.774 0.000 . 1 . . . . . 60 VAL CB . 50620 1 289 . 1 . 1 62 62 VAL N N 15 122.117 0.024 . 1 . . . . . 60 VAL N . 50620 1 290 . 1 . 1 63 63 LEU H H 1 8.757 0.002 . 1 . . . . . 61 LEU H . 50620 1 291 . 1 . 1 63 63 LEU N N 15 119.336 0.009 . 1 . . . . . 61 LEU N . 50620 1 292 . 1 . 1 65 65 GLN C C 13 175.441 0.000 . 1 . . . . . 63 GLN C . 50620 1 293 . 1 . 1 65 65 GLN CA C 13 56.114 0.020 . 1 . . . . . 63 GLN CA . 50620 1 294 . 1 . 1 65 65 GLN CB C 13 30.143 0.000 . 1 . . . . . 63 GLN CB . 50620 1 295 . 1 . 1 66 66 LEU H H 1 7.965 0.002 . 1 . . . . . 64 LEU H . 50620 1 296 . 1 . 1 66 66 LEU C C 13 175.004 0.005 . 1 . . . . . 64 LEU C . 50620 1 297 . 1 . 1 66 66 LEU CA C 13 53.483 0.014 . 1 . . . . . 64 LEU CA . 50620 1 298 . 1 . 1 66 66 LEU CB C 13 43.669 0.027 . 1 . . . . . 64 LEU CB . 50620 1 299 . 1 . 1 66 66 LEU N N 15 121.666 0.017 . 1 . . . . . 64 LEU N . 50620 1 300 . 1 . 1 67 67 GLU H H 1 7.304 0.002 . 1 . . . . . 65 GLU H . 50620 1 301 . 1 . 1 67 67 GLU C C 13 175.057 0.004 . 1 . . . . . 65 GLU C . 50620 1 302 . 1 . 1 67 67 GLU CA C 13 55.542 0.026 . 1 . . . . . 65 GLU CA . 50620 1 303 . 1 . 1 67 67 GLU CB C 13 31.142 0.024 . 1 . . . . . 65 GLU CB . 50620 1 304 . 1 . 1 67 67 GLU N N 15 118.087 0.010 . 1 . . . . . 65 GLU N . 50620 1 305 . 1 . 1 68 68 GLN H H 1 8.239 0.002 . 1 . . . . . 66 GLN H . 50620 1 306 . 1 . 1 68 68 GLN C C 13 174.192 0.000 . 1 . . . . . 66 GLN C . 50620 1 307 . 1 . 1 68 68 GLN CA C 13 53.623 0.013 . 1 . . . . . 66 GLN CA . 50620 1 308 . 1 . 1 68 68 GLN CB C 13 28.556 0.000 . 1 . . . . . 66 GLN CB . 50620 1 309 . 1 . 1 68 68 GLN N N 15 121.590 0.011 . 1 . . . . . 66 GLN N . 50620 1 310 . 1 . 1 69 69 PRO C C 13 173.668 0.000 . 1 . . . . . 67 PRO C . 50620 1 311 . 1 . 1 69 69 PRO CA C 13 61.482 0.012 . 1 . . . . . 67 PRO CA . 50620 1 312 . 1 . 1 69 69 PRO CB C 13 34.795 0.000 . 1 . . . . . 67 PRO CB . 50620 1 313 . 1 . 1 70 70 TYR H H 1 8.048 0.005 . 1 . . . . . 68 TYR H . 50620 1 314 . 1 . 1 70 70 TYR C C 13 175.607 0.022 . 1 . . . . . 68 TYR C . 50620 1 315 . 1 . 1 70 70 TYR CA C 13 55.919 0.024 . 1 . . . . . 68 TYR CA . 50620 1 316 . 1 . 1 70 70 TYR CB C 13 41.422 0.008 . 1 . . . . . 68 TYR CB . 50620 1 317 . 1 . 1 70 70 TYR N N 15 119.719 0.027 . 1 . . . . . 68 TYR N . 50620 1 318 . 1 . 1 71 71 VAL H H 1 9.044 0.002 . 1 . . . . . 69 VAL H . 50620 1 319 . 1 . 1 71 71 VAL C C 13 174.378 0.010 . 1 . . . . . 69 VAL C . 50620 1 320 . 1 . 1 71 71 VAL CA C 13 61.946 0.026 . 1 . . . . . 69 VAL CA . 50620 1 321 . 1 . 1 71 71 VAL CB C 13 32.487 0.007 . 1 . . . . . 69 VAL CB . 50620 1 322 . 1 . 1 71 71 VAL N N 15 120.485 0.032 . 1 . . . . . 69 VAL N . 50620 1 323 . 1 . 1 72 72 PHE H H 1 9.286 0.002 . 1 . . . . . 70 PHE H . 50620 1 324 . 1 . 1 72 72 PHE C C 13 176.302 0.002 . 1 . . . . . 70 PHE C . 50620 1 325 . 1 . 1 72 72 PHE CA C 13 56.298 0.021 . 1 . . . . . 70 PHE CA . 50620 1 326 . 1 . 1 72 72 PHE CB C 13 41.668 0.020 . 1 . . . . . 70 PHE CB . 50620 1 327 . 1 . 1 72 72 PHE N N 15 123.324 0.017 . 1 . . . . . 70 PHE N . 50620 1 328 . 1 . 1 73 73 ILE H H 1 8.039 0.004 . 1 . . . . . 71 ILE H . 50620 1 329 . 1 . 1 73 73 ILE C C 13 174.991 0.008 . 1 . . . . . 71 ILE C . 50620 1 330 . 1 . 1 73 73 ILE CA C 13 58.718 0.021 . 1 . . . . . 71 ILE CA . 50620 1 331 . 1 . 1 73 73 ILE CB C 13 39.732 0.020 . 1 . . . . . 71 ILE CB . 50620 1 332 . 1 . 1 73 73 ILE N N 15 112.904 0.023 . 1 . . . . . 71 ILE N . 50620 1 333 . 1 . 1 74 74 LYS H H 1 8.961 0.003 . 1 . . . . . 72 LYS H . 50620 1 334 . 1 . 1 74 74 LYS C C 13 175.171 0.016 . 1 . . . . . 72 LYS C . 50620 1 335 . 1 . 1 74 74 LYS CA C 13 53.812 0.017 . 1 . . . . . 72 LYS CA . 50620 1 336 . 1 . 1 74 74 LYS CB C 13 36.194 0.003 . 1 . . . . . 72 LYS CB . 50620 1 337 . 1 . 1 74 74 LYS N N 15 125.420 0.014 . 1 . . . . . 72 LYS N . 50620 1 338 . 1 . 1 75 75 ARG H H 1 8.966 0.003 . 1 . . . . . 73 ARG H . 50620 1 339 . 1 . 1 75 75 ARG C C 13 176.548 0.001 . 1 . . . . . 73 ARG C . 50620 1 340 . 1 . 1 75 75 ARG CA C 13 57.432 0.009 . 1 . . . . . 73 ARG CA . 50620 1 341 . 1 . 1 75 75 ARG CB C 13 31.210 0.025 . 1 . . . . . 73 ARG CB . 50620 1 342 . 1 . 1 75 75 ARG N N 15 123.085 0.013 . 1 . . . . . 73 ARG N . 50620 1 343 . 1 . 1 76 76 SER H H 1 8.744 0.002 . 1 . . . . . 74 SER H . 50620 1 344 . 1 . 1 76 76 SER C C 13 174.074 0.006 . 1 . . . . . 74 SER C . 50620 1 345 . 1 . 1 76 76 SER CA C 13 58.484 0.034 . 1 . . . . . 74 SER CA . 50620 1 346 . 1 . 1 76 76 SER CB C 13 64.296 0.070 . 1 . . . . . 74 SER CB . 50620 1 347 . 1 . 1 76 76 SER N N 15 120.881 0.009 . 1 . . . . . 74 SER N . 50620 1 348 . 1 . 1 77 77 ASP H H 1 8.311 0.001 . 1 . . . . . 75 ASP H . 50620 1 349 . 1 . 1 77 77 ASP C C 13 175.730 0.004 . 1 . . . . . 75 ASP C . 50620 1 350 . 1 . 1 77 77 ASP CA C 13 54.298 0.003 . 1 . . . . . 75 ASP CA . 50620 1 351 . 1 . 1 77 77 ASP CB C 13 41.993 0.012 . 1 . . . . . 75 ASP CB . 50620 1 352 . 1 . 1 77 77 ASP N N 15 122.313 0.017 . 1 . . . . . 75 ASP N . 50620 1 353 . 1 . 1 78 78 ALA H H 1 8.358 0.001 . 1 . . . . . 76 ALA H . 50620 1 354 . 1 . 1 78 78 ALA C C 13 178.034 0.006 . 1 . . . . . 76 ALA C . 50620 1 355 . 1 . 1 78 78 ALA CA C 13 52.854 0.018 . 1 . . . . . 76 ALA CA . 50620 1 356 . 1 . 1 78 78 ALA CB C 13 19.551 0.006 . 1 . . . . . 76 ALA CB . 50620 1 357 . 1 . 1 78 78 ALA N N 15 124.793 0.004 . 1 . . . . . 76 ALA N . 50620 1 358 . 1 . 1 79 79 ARG H H 1 8.434 0.003 . 1 . . . . . 77 ARG H . 50620 1 359 . 1 . 1 79 79 ARG C C 13 176.668 0.002 . 1 . . . . . 77 ARG C . 50620 1 360 . 1 . 1 79 79 ARG CA C 13 56.732 0.012 . 1 . . . . . 77 ARG CA . 50620 1 361 . 1 . 1 79 79 ARG CB C 13 30.765 0.008 . 1 . . . . . 77 ARG CB . 50620 1 362 . 1 . 1 79 79 ARG N N 15 119.008 0.008 . 1 . . . . . 77 ARG N . 50620 1 363 . 1 . 1 80 80 THR H H 1 8.035 0.001 . 1 . . . . . 78 THR H . 50620 1 364 . 1 . 1 80 80 THR C C 13 173.754 0.002 . 1 . . . . . 78 THR C . 50620 1 365 . 1 . 1 80 80 THR CA C 13 61.816 0.021 . 1 . . . . . 78 THR CA . 50620 1 366 . 1 . 1 80 80 THR CB C 13 69.793 0.020 . 1 . . . . . 78 THR CB . 50620 1 367 . 1 . 1 80 80 THR N N 15 114.106 0.018 . 1 . . . . . 78 THR N . 50620 1 368 . 1 . 1 81 81 ALA H H 1 8.281 0.003 . 1 . . . . . 79 ALA H . 50620 1 369 . 1 . 1 81 81 ALA C C 13 175.440 0.000 . 1 . . . . . 79 ALA C . 50620 1 370 . 1 . 1 81 81 ALA CA C 13 50.416 0.000 . 1 . . . . . 79 ALA CA . 50620 1 371 . 1 . 1 81 81 ALA CB C 13 18.581 0.000 . 1 . . . . . 79 ALA CB . 50620 1 372 . 1 . 1 81 81 ALA N N 15 127.777 0.012 . 1 . . . . . 79 ALA N . 50620 1 373 . 1 . 1 82 82 PRO C C 13 177.058 0.000 . 1 . . . . . 80 PRO C . 50620 1 374 . 1 . 1 82 82 PRO CA C 13 63.684 0.008 . 1 . . . . . 80 PRO CA . 50620 1 375 . 1 . 1 82 82 PRO CB C 13 31.743 0.000 . 1 . . . . . 80 PRO CB . 50620 1 376 . 1 . 1 83 83 HIS H H 1 8.355 0.002 . 1 . . . . . 81 HIS H . 50620 1 377 . 1 . 1 83 83 HIS C C 13 176.206 0.013 . 1 . . . . . 81 HIS C . 50620 1 378 . 1 . 1 83 83 HIS CA C 13 56.584 0.027 . 1 . . . . . 81 HIS CA . 50620 1 379 . 1 . 1 83 83 HIS CB C 13 29.592 0.008 . 1 . . . . . 81 HIS CB . 50620 1 380 . 1 . 1 83 83 HIS N N 15 117.853 0.021 . 1 . . . . . 81 HIS N . 50620 1 381 . 1 . 1 84 84 GLY H H 1 8.284 0.007 . 1 . . . . . 82 GLY H . 50620 1 382 . 1 . 1 84 84 GLY C C 13 173.818 0.004 . 1 . . . . . 82 GLY C . 50620 1 383 . 1 . 1 84 84 GLY CA C 13 45.458 0.019 . 1 . . . . . 82 GLY CA . 50620 1 384 . 1 . 1 84 84 GLY N N 15 108.822 0.028 . 1 . . . . . 82 GLY N . 50620 1 385 . 1 . 1 85 85 HIS H H 1 8.077 0.004 . 1 . . . . . 83 HIS H . 50620 1 386 . 1 . 1 85 85 HIS C C 13 174.313 0.012 . 1 . . . . . 83 HIS C . 50620 1 387 . 1 . 1 85 85 HIS CA C 13 55.980 0.015 . 1 . . . . . 83 HIS CA . 50620 1 388 . 1 . 1 85 85 HIS CB C 13 31.569 0.022 . 1 . . . . . 83 HIS CB . 50620 1 389 . 1 . 1 85 85 HIS N N 15 119.391 0.014 . 1 . . . . . 83 HIS N . 50620 1 390 . 1 . 1 86 86 VAL H H 1 8.078 0.005 . 1 . . . . . 84 VAL H . 50620 1 391 . 1 . 1 86 86 VAL C C 13 175.031 0.024 . 1 . . . . . 84 VAL C . 50620 1 392 . 1 . 1 86 86 VAL CA C 13 61.766 0.023 . 1 . . . . . 84 VAL CA . 50620 1 393 . 1 . 1 86 86 VAL CB C 13 33.154 0.007 . 1 . . . . . 84 VAL CB . 50620 1 394 . 1 . 1 86 86 VAL N N 15 121.664 0.027 . 1 . . . . . 84 VAL N . 50620 1 395 . 1 . 1 87 87 MET H H 1 8.769 0.002 . 1 . . . . . 85 MET H . 50620 1 396 . 1 . 1 87 87 MET C C 13 176.667 0.007 . 1 . . . . . 85 MET C . 50620 1 397 . 1 . 1 87 87 MET CA C 13 55.830 0.023 . 1 . . . . . 85 MET CA . 50620 1 398 . 1 . 1 87 87 MET CB C 13 33.513 0.019 . 1 . . . . . 85 MET CB . 50620 1 399 . 1 . 1 87 87 MET N N 15 127.886 0.015 . 1 . . . . . 85 MET N . 50620 1 400 . 1 . 1 88 88 VAL H H 1 8.811 0.003 . 1 . . . . . 86 VAL H . 50620 1 401 . 1 . 1 88 88 VAL C C 13 174.220 0.002 . 1 . . . . . 86 VAL C . 50620 1 402 . 1 . 1 88 88 VAL CA C 13 58.622 0.018 . 1 . . . . . 86 VAL CA . 50620 1 403 . 1 . 1 88 88 VAL CB C 13 36.778 0.009 . 1 . . . . . 86 VAL CB . 50620 1 404 . 1 . 1 88 88 VAL N N 15 117.324 0.015 . 1 . . . . . 86 VAL N . 50620 1 405 . 1 . 1 89 89 GLU H H 1 8.939 0.002 . 1 . . . . . 87 GLU H . 50620 1 406 . 1 . 1 89 89 GLU C C 13 174.296 0.018 . 1 . . . . . 87 GLU C . 50620 1 407 . 1 . 1 89 89 GLU CA C 13 54.053 0.022 . 1 . . . . . 87 GLU CA . 50620 1 408 . 1 . 1 89 89 GLU CB C 13 33.911 0.005 . 1 . . . . . 87 GLU CB . 50620 1 409 . 1 . 1 89 89 GLU N N 15 116.874 0.011 . 1 . . . . . 87 GLU N . 50620 1 410 . 1 . 1 90 90 LEU H H 1 8.535 0.005 . 1 . . . . . 88 LEU H . 50620 1 411 . 1 . 1 90 90 LEU C C 13 177.157 0.013 . 1 . . . . . 88 LEU C . 50620 1 412 . 1 . 1 90 90 LEU CA C 13 54.660 0.016 . 1 . . . . . 88 LEU CA . 50620 1 413 . 1 . 1 90 90 LEU CB C 13 43.783 0.004 . 1 . . . . . 88 LEU CB . 50620 1 414 . 1 . 1 90 90 LEU N N 15 121.687 0.019 . 1 . . . . . 88 LEU N . 50620 1 415 . 1 . 1 91 91 VAL H H 1 8.733 0.007 . 1 . . . . . 89 VAL H . 50620 1 416 . 1 . 1 91 91 VAL C C 13 173.377 0.009 . 1 . . . . . 89 VAL C . 50620 1 417 . 1 . 1 91 91 VAL CA C 13 60.710 0.021 . 1 . . . . . 89 VAL CA . 50620 1 418 . 1 . 1 91 91 VAL CB C 13 36.319 0.011 . 1 . . . . . 89 VAL CB . 50620 1 419 . 1 . 1 91 91 VAL N N 15 120.012 0.015 . 1 . . . . . 89 VAL N . 50620 1 420 . 1 . 1 92 92 ALA H H 1 8.693 0.003 . 1 . . . . . 90 ALA H . 50620 1 421 . 1 . 1 92 92 ALA C C 13 176.643 0.000 . 1 . . . . . 90 ALA C . 50620 1 422 . 1 . 1 92 92 ALA CA C 13 50.455 0.015 . 1 . . . . . 90 ALA CA . 50620 1 423 . 1 . 1 92 92 ALA CB C 13 22.795 0.016 . 1 . . . . . 90 ALA CB . 50620 1 424 . 1 . 1 92 92 ALA N N 15 126.043 0.025 . 1 . . . . . 90 ALA N . 50620 1 425 . 1 . 1 93 93 GLU H H 1 8.857 0.002 . 1 . . . . . 91 GLU H . 50620 1 426 . 1 . 1 93 93 GLU C C 13 175.001 0.004 . 1 . . . . . 91 GLU C . 50620 1 427 . 1 . 1 93 93 GLU CA C 13 55.442 0.019 . 1 . . . . . 91 GLU CA . 50620 1 428 . 1 . 1 93 93 GLU CB C 13 34.721 0.034 . 1 . . . . . 91 GLU CB . 50620 1 429 . 1 . 1 93 93 GLU N N 15 118.469 0.013 . 1 . . . . . 91 GLU N . 50620 1 430 . 1 . 1 94 94 LEU H H 1 8.839 0.004 . 1 . . . . . 92 LEU H . 50620 1 431 . 1 . 1 94 94 LEU CA C 13 57.076 0.005 . 1 . . . . . 92 LEU CA . 50620 1 432 . 1 . 1 94 94 LEU CB C 13 43.281 0.000 . 1 . . . . . 92 LEU CB . 50620 1 433 . 1 . 1 94 94 LEU N N 15 123.874 0.026 . 1 . . . . . 92 LEU N . 50620 1 434 . 1 . 1 95 95 GLU C C 13 177.393 0.000 . 1 . . . . . 93 GLU C . 50620 1 435 . 1 . 1 95 95 GLU CA C 13 57.116 0.025 . 1 . . . . . 93 GLU CA . 50620 1 436 . 1 . 1 95 95 GLU CB C 13 30.672 0.000 . 1 . . . . . 93 GLU CB . 50620 1 437 . 1 . 1 96 96 GLY H H 1 8.225 0.015 . 1 . . . . . 94 GLY H . 50620 1 438 . 1 . 1 96 96 GLY C C 13 174.017 0.019 . 1 . . . . . 94 GLY C . 50620 1 439 . 1 . 1 96 96 GLY CA C 13 46.214 0.026 . 1 . . . . . 94 GLY CA . 50620 1 440 . 1 . 1 96 96 GLY N N 15 106.372 0.046 . 1 . . . . . 94 GLY N . 50620 1 441 . 1 . 1 97 97 ILE H H 1 7.571 0.003 . 1 . . . . . 95 ILE H . 50620 1 442 . 1 . 1 97 97 ILE C C 13 176.253 0.000 . 1 . . . . . 95 ILE C . 50620 1 443 . 1 . 1 97 97 ILE CA C 13 61.999 0.008 . 1 . . . . . 95 ILE CA . 50620 1 444 . 1 . 1 97 97 ILE CB C 13 38.468 0.000 . 1 . . . . . 95 ILE CB . 50620 1 445 . 1 . 1 97 97 ILE N N 15 119.604 0.019 . 1 . . . . . 95 ILE N . 50620 1 446 . 1 . 1 98 98 GLN C C 13 177.053 0.000 . 1 . . . . . 96 GLN C . 50620 1 447 . 1 . 1 98 98 GLN CA C 13 56.743 0.000 . 1 . . . . . 96 GLN CA . 50620 1 448 . 1 . 1 98 98 GLN CB C 13 29.150 0.000 . 1 . . . . . 96 GLN CB . 50620 1 449 . 1 . 1 99 99 TYR H H 1 8.879 0.007 . 1 . . . . . 97 TYR H . 50620 1 450 . 1 . 1 99 99 TYR C C 13 176.792 0.009 . 1 . . . . . 97 TYR C . 50620 1 451 . 1 . 1 99 99 TYR CA C 13 58.512 0.014 . 1 . . . . . 97 TYR CA . 50620 1 452 . 1 . 1 99 99 TYR CB C 13 37.745 0.000 . 1 . . . . . 97 TYR CB . 50620 1 453 . 1 . 1 99 99 TYR N N 15 120.454 0.030 . 1 . . . . . 97 TYR N . 50620 1 454 . 1 . 1 100 100 GLY H H 1 7.942 0.005 . 1 . . . . . 98 GLY H . 50620 1 455 . 1 . 1 100 100 GLY C C 13 173.661 0.005 . 1 . . . . . 98 GLY C . 50620 1 456 . 1 . 1 100 100 GLY CA C 13 46.091 0.013 . 1 . . . . . 98 GLY CA . 50620 1 457 . 1 . 1 100 100 GLY N N 15 108.993 0.017 . 1 . . . . . 98 GLY N . 50620 1 458 . 1 . 1 101 101 ARG H H 1 7.833 0.007 . 1 . . . . . 99 ARG H . 50620 1 459 . 1 . 1 101 101 ARG C C 13 176.198 0.001 . 1 . . . . . 99 ARG C . 50620 1 460 . 1 . 1 101 101 ARG CA C 13 55.632 0.016 . 1 . . . . . 99 ARG CA . 50620 1 461 . 1 . 1 101 101 ARG CB C 13 30.759 0.038 . 1 . . . . . 99 ARG CB . 50620 1 462 . 1 . 1 101 101 ARG N N 15 118.649 0.021 . 1 . . . . . 99 ARG N . 50620 1 463 . 1 . 1 102 102 SER H H 1 7.868 0.011 . 1 . . . . . 100 SER H . 50620 1 464 . 1 . 1 102 102 SER C C 13 175.753 0.000 . 1 . . . . . 100 SER C . 50620 1 465 . 1 . 1 102 102 SER CA C 13 58.355 0.009 . 1 . . . . . 100 SER CA . 50620 1 466 . 1 . 1 102 102 SER CB C 13 63.725 0.000 . 1 . . . . . 100 SER CB . 50620 1 467 . 1 . 1 102 102 SER N N 15 115.697 0.028 . 1 . . . . . 100 SER N . 50620 1 468 . 1 . 1 103 103 GLY H H 1 8.691 0.006 . 1 . . . . . 101 GLY H . 50620 1 469 . 1 . 1 103 103 GLY N N 15 112.789 0.009 . 1 . . . . . 101 GLY N . 50620 1 470 . 1 . 1 105 105 THR C C 13 174.284 0.000 . 1 . . . . . 103 THR C . 50620 1 471 . 1 . 1 105 105 THR CA C 13 63.166 0.036 . 1 . . . . . 103 THR CA . 50620 1 472 . 1 . 1 105 105 THR CB C 13 69.254 0.000 . 1 . . . . . 103 THR CB . 50620 1 473 . 1 . 1 106 106 LEU H H 1 9.025 0.002 . 1 . . . . . 104 LEU H . 50620 1 474 . 1 . 1 106 106 LEU C C 13 177.161 0.005 . 1 . . . . . 104 LEU C . 50620 1 475 . 1 . 1 106 106 LEU CA C 13 56.258 0.038 . 1 . . . . . 104 LEU CA . 50620 1 476 . 1 . 1 106 106 LEU CB C 13 42.934 0.034 . 1 . . . . . 104 LEU CB . 50620 1 477 . 1 . 1 106 106 LEU N N 15 126.756 0.009 . 1 . . . . . 104 LEU N . 50620 1 478 . 1 . 1 107 107 GLY H H 1 7.435 0.002 . 1 . . . . . 105 GLY H . 50620 1 479 . 1 . 1 107 107 GLY C C 13 170.076 0.005 . 1 . . . . . 105 GLY C . 50620 1 480 . 1 . 1 107 107 GLY CA C 13 45.468 0.008 . 1 . . . . . 105 GLY CA . 50620 1 481 . 1 . 1 107 107 GLY N N 15 103.931 0.024 . 1 . . . . . 105 GLY N . 50620 1 482 . 1 . 1 108 108 VAL H H 1 9.162 0.002 . 1 . . . . . 106 VAL H . 50620 1 483 . 1 . 1 108 108 VAL C C 13 174.696 0.009 . 1 . . . . . 106 VAL C . 50620 1 484 . 1 . 1 108 108 VAL CA C 13 59.929 0.007 . 1 . . . . . 106 VAL CA . 50620 1 485 . 1 . 1 108 108 VAL CB C 13 34.710 0.013 . 1 . . . . . 106 VAL CB . 50620 1 486 . 1 . 1 108 108 VAL N N 15 121.029 0.010 . 1 . . . . . 106 VAL N . 50620 1 487 . 1 . 1 109 109 LEU H H 1 8.998 0.002 . 1 . . . . . 107 LEU H . 50620 1 488 . 1 . 1 109 109 LEU C C 13 174.943 0.004 . 1 . . . . . 107 LEU C . 50620 1 489 . 1 . 1 109 109 LEU CA C 13 53.526 0.021 . 1 . . . . . 107 LEU CA . 50620 1 490 . 1 . 1 109 109 LEU CB C 13 43.567 0.018 . 1 . . . . . 107 LEU CB . 50620 1 491 . 1 . 1 109 109 LEU N N 15 126.541 0.007 . 1 . . . . . 107 LEU N . 50620 1 492 . 1 . 1 110 110 VAL H H 1 8.343 0.002 . 1 . . . . . 108 VAL H . 50620 1 493 . 1 . 1 110 110 VAL C C 13 172.483 0.000 . 1 . . . . . 108 VAL C . 50620 1 494 . 1 . 1 110 110 VAL CA C 13 58.093 0.010 . 1 . . . . . 108 VAL CA . 50620 1 495 . 1 . 1 110 110 VAL CB C 13 33.392 0.000 . 1 . . . . . 108 VAL CB . 50620 1 496 . 1 . 1 110 110 VAL N N 15 113.365 0.011 . 1 . . . . . 108 VAL N . 50620 1 497 . 1 . 1 111 111 PRO C C 13 173.355 0.006 . 1 . . . . . 109 PRO C . 50620 1 498 . 1 . 1 111 111 PRO CA C 13 63.556 0.003 . 1 . . . . . 109 PRO CA . 50620 1 499 . 1 . 1 111 111 PRO CB C 13 31.524 0.000 . 1 . . . . . 109 PRO CB . 50620 1 500 . 1 . 1 112 112 HIS H H 1 8.030 0.002 . 1 . . . . . 110 HIS H . 50620 1 501 . 1 . 1 112 112 HIS C C 13 175.480 0.007 . 1 . . . . . 110 HIS C . 50620 1 502 . 1 . 1 112 112 HIS CA C 13 53.039 0.023 . 1 . . . . . 110 HIS CA . 50620 1 503 . 1 . 1 112 112 HIS CB C 13 32.884 0.029 . 1 . . . . . 110 HIS CB . 50620 1 504 . 1 . 1 112 112 HIS N N 15 120.572 0.019 . 1 . . . . . 110 HIS N . 50620 1 505 . 1 . 1 113 113 VAL H H 1 10.386 0.003 . 1 . . . . . 111 VAL H . 50620 1 506 . 1 . 1 113 113 VAL C C 13 175.493 0.004 . 1 . . . . . 111 VAL C . 50620 1 507 . 1 . 1 113 113 VAL CA C 13 60.597 0.016 . 1 . . . . . 111 VAL CA . 50620 1 508 . 1 . 1 113 113 VAL CB C 13 31.863 0.078 . 1 . . . . . 111 VAL CB . 50620 1 509 . 1 . 1 113 113 VAL N N 15 130.712 0.025 . 1 . . . . . 111 VAL N . 50620 1 510 . 1 . 1 114 114 GLY H H 1 6.740 0.005 . 1 . . . . . 112 GLY H . 50620 1 511 . 1 . 1 114 114 GLY C C 13 174.917 0.000 . 1 . . . . . 112 GLY C . 50620 1 512 . 1 . 1 114 114 GLY CA C 13 45.154 0.012 . 1 . . . . . 112 GLY CA . 50620 1 513 . 1 . 1 114 114 GLY N N 15 107.445 0.015 . 1 . . . . . 112 GLY N . 50620 1 514 . 1 . 1 115 115 GLU H H 1 10.561 0.004 . 1 . . . . . 113 GLU H . 50620 1 515 . 1 . 1 115 115 GLU C C 13 177.278 0.002 . 1 . . . . . 113 GLU C . 50620 1 516 . 1 . 1 115 115 GLU CA C 13 58.924 0.006 . 1 . . . . . 113 GLU CA . 50620 1 517 . 1 . 1 115 115 GLU CB C 13 29.484 0.045 . 1 . . . . . 113 GLU CB . 50620 1 518 . 1 . 1 115 115 GLU N N 15 124.327 0.027 . 1 . . . . . 113 GLU N . 50620 1 519 . 1 . 1 116 116 ILE H H 1 9.064 0.002 . 1 . . . . . 114 ILE H . 50620 1 520 . 1 . 1 116 116 ILE C C 13 174.868 0.000 . 1 . . . . . 114 ILE C . 50620 1 521 . 1 . 1 116 116 ILE CA C 13 58.632 0.000 . 1 . . . . . 114 ILE CA . 50620 1 522 . 1 . 1 116 116 ILE CB C 13 37.271 0.000 . 1 . . . . . 114 ILE CB . 50620 1 523 . 1 . 1 116 116 ILE N N 15 125.987 0.011 . 1 . . . . . 114 ILE N . 50620 1 524 . 1 . 1 117 117 PRO C C 13 177.412 0.010 . 1 . . . . . 115 PRO C . 50620 1 525 . 1 . 1 117 117 PRO CA C 13 62.303 0.002 . 1 . . . . . 115 PRO CA . 50620 1 526 . 1 . 1 117 117 PRO CB C 13 33.076 0.000 . 1 . . . . . 115 PRO CB . 50620 1 527 . 1 . 1 118 118 VAL H H 1 8.838 0.002 . 1 . . . . . 116 VAL H . 50620 1 528 . 1 . 1 118 118 VAL C C 13 175.658 0.006 . 1 . . . . . 116 VAL C . 50620 1 529 . 1 . 1 118 118 VAL CA C 13 61.376 0.022 . 1 . . . . . 116 VAL CA . 50620 1 530 . 1 . 1 118 118 VAL CB C 13 32.494 0.003 . 1 . . . . . 116 VAL CB . 50620 1 531 . 1 . 1 118 118 VAL N N 15 114.302 0.023 . 1 . . . . . 116 VAL N . 50620 1 532 . 1 . 1 119 119 ALA H H 1 7.717 0.002 . 1 . . . . . 117 ALA H . 50620 1 533 . 1 . 1 119 119 ALA C C 13 173.983 0.005 . 1 . . . . . 117 ALA C . 50620 1 534 . 1 . 1 119 119 ALA CA C 13 51.180 0.013 . 1 . . . . . 117 ALA CA . 50620 1 535 . 1 . 1 119 119 ALA CB C 13 20.882 0.000 . 1 . . . . . 117 ALA CB . 50620 1 536 . 1 . 1 119 119 ALA N N 15 120.662 0.011 . 1 . . . . . 117 ALA N . 50620 1 537 . 1 . 1 120 120 TYR H H 1 8.462 0.001 . 1 . . . . . 118 TYR H . 50620 1 538 . 1 . 1 120 120 TYR C C 13 175.747 0.004 . 1 . . . . . 118 TYR C . 50620 1 539 . 1 . 1 120 120 TYR CA C 13 57.776 0.020 . 1 . . . . . 118 TYR CA . 50620 1 540 . 1 . 1 120 120 TYR CB C 13 42.055 0.040 . 1 . . . . . 118 TYR CB . 50620 1 541 . 1 . 1 120 120 TYR N N 15 116.050 0.009 . 1 . . . . . 118 TYR N . 50620 1 542 . 1 . 1 121 121 ARG H H 1 9.362 0.002 . 1 . . . . . 119 ARG H . 50620 1 543 . 1 . 1 121 121 ARG C C 13 174.778 0.000 . 1 . . . . . 119 ARG C . 50620 1 544 . 1 . 1 121 121 ARG CA C 13 53.228 0.006 . 1 . . . . . 119 ARG CA . 50620 1 545 . 1 . 1 121 121 ARG CB C 13 32.037 0.005 . 1 . . . . . 119 ARG CB . 50620 1 546 . 1 . 1 121 121 ARG N N 15 122.272 0.020 . 1 . . . . . 119 ARG N . 50620 1 547 . 1 . 1 122 122 LYS H H 1 8.613 0.001 . 1 . . . . . 120 LYS H . 50620 1 548 . 1 . 1 122 122 LYS C C 13 176.820 0.002 . 1 . . . . . 120 LYS C . 50620 1 549 . 1 . 1 122 122 LYS CA C 13 56.195 0.012 . 1 . . . . . 120 LYS CA . 50620 1 550 . 1 . 1 122 122 LYS CB C 13 32.423 0.060 . 1 . . . . . 120 LYS CB . 50620 1 551 . 1 . 1 122 122 LYS N N 15 126.689 0.012 . 1 . . . . . 120 LYS N . 50620 1 552 . 1 . 1 123 123 VAL H H 1 8.956 0.002 . 1 . . . . . 121 VAL H . 50620 1 553 . 1 . 1 123 123 VAL C C 13 173.477 0.001 . 1 . . . . . 121 VAL C . 50620 1 554 . 1 . 1 123 123 VAL CA C 13 58.774 0.018 . 1 . . . . . 121 VAL CA . 50620 1 555 . 1 . 1 123 123 VAL CB C 13 36.187 0.026 . 1 . . . . . 121 VAL CB . 50620 1 556 . 1 . 1 123 123 VAL N N 15 116.944 0.015 . 1 . . . . . 121 VAL N . 50620 1 557 . 1 . 1 124 124 LEU H H 1 8.742 0.005 . 1 . . . . . 122 LEU H . 50620 1 558 . 1 . 1 124 124 LEU C C 13 174.873 0.006 . 1 . . . . . 122 LEU C . 50620 1 559 . 1 . 1 124 124 LEU CA C 13 53.203 0.015 . 1 . . . . . 122 LEU CA . 50620 1 560 . 1 . 1 124 124 LEU CB C 13 44.879 0.001 . 1 . . . . . 122 LEU CB . 50620 1 561 . 1 . 1 124 124 LEU N N 15 123.207 0.043 . 1 . . . . . 122 LEU N . 50620 1 562 . 1 . 1 125 125 LEU H H 1 8.889 0.002 . 1 . . . . . 123 LEU H . 50620 1 563 . 1 . 1 125 125 LEU C C 13 176.086 0.010 . 1 . . . . . 123 LEU C . 50620 1 564 . 1 . 1 125 125 LEU CA C 13 53.664 0.018 . 1 . . . . . 123 LEU CA . 50620 1 565 . 1 . 1 125 125 LEU CB C 13 45.562 0.021 . 1 . . . . . 123 LEU CB . 50620 1 566 . 1 . 1 125 125 LEU N N 15 125.082 0.049 . 1 . . . . . 123 LEU N . 50620 1 567 . 1 . 1 126 126 ARG H H 1 8.789 0.003 . 1 . . . . . 124 ARG H . 50620 1 568 . 1 . 1 126 126 ARG C C 13 176.454 0.004 . 1 . . . . . 124 ARG C . 50620 1 569 . 1 . 1 126 126 ARG CA C 13 56.916 0.015 . 1 . . . . . 124 ARG CA . 50620 1 570 . 1 . 1 126 126 ARG CB C 13 30.683 0.034 . 1 . . . . . 124 ARG CB . 50620 1 571 . 1 . 1 126 126 ARG N N 15 126.214 0.028 . 1 . . . . . 124 ARG N . 50620 1 572 . 1 . 1 127 127 LYS H H 1 8.435 0.006 . 1 . . . . . 125 LYS H . 50620 1 573 . 1 . 1 127 127 LYS C C 13 176.151 0.018 . 1 . . . . . 125 LYS C . 50620 1 574 . 1 . 1 127 127 LYS CA C 13 57.647 0.022 . 1 . . . . . 125 LYS CA . 50620 1 575 . 1 . 1 127 127 LYS CB C 13 33.526 0.006 . 1 . . . . . 125 LYS CB . 50620 1 576 . 1 . 1 127 127 LYS N N 15 125.933 0.047 . 1 . . . . . 125 LYS N . 50620 1 577 . 1 . 1 128 128 ASN H H 1 8.404 0.002 . 1 . . . . . 126 ASN H . 50620 1 578 . 1 . 1 128 128 ASN CB C 13 39.502 0.000 . 1 . . . . . 126 ASN CB . 50620 1 579 . 1 . 1 128 128 ASN N N 15 118.854 0.027 . 1 . . . . . 126 ASN N . 50620 1 580 . 1 . 1 129 129 GLY C C 13 173.843 0.000 . 1 . . . . . 127 GLY C . 50620 1 581 . 1 . 1 129 129 GLY CA C 13 45.397 0.010 . 1 . . . . . 127 GLY CA . 50620 1 582 . 1 . 1 130 130 ASN H H 1 8.411 0.001 . 1 . . . . . 128 ASN H . 50620 1 583 . 1 . 1 130 130 ASN C C 13 175.497 0.017 . 1 . . . . . 128 ASN C . 50620 1 584 . 1 . 1 130 130 ASN CA C 13 53.380 0.011 . 1 . . . . . 128 ASN CA . 50620 1 585 . 1 . 1 130 130 ASN CB C 13 39.096 0.036 . 1 . . . . . 128 ASN CB . 50620 1 586 . 1 . 1 130 130 ASN N N 15 118.807 0.013 . 1 . . . . . 128 ASN N . 50620 1 587 . 1 . 1 131 131 LYS H H 1 8.446 0.002 . 1 . . . . . 129 LYS H . 50620 1 588 . 1 . 1 131 131 LYS C C 13 177.098 0.006 . 1 . . . . . 129 LYS C . 50620 1 589 . 1 . 1 131 131 LYS CA C 13 56.693 0.006 . 1 . . . . . 129 LYS CA . 50620 1 590 . 1 . 1 131 131 LYS CB C 13 32.852 0.021 . 1 . . . . . 129 LYS CB . 50620 1 591 . 1 . 1 131 131 LYS N N 15 121.751 0.018 . 1 . . . . . 129 LYS N . 50620 1 592 . 1 . 1 132 132 GLY H H 1 8.393 0.005 . 1 . . . . . 130 GLY H . 50620 1 593 . 1 . 1 132 132 GLY C C 13 174.004 0.009 . 1 . . . . . 130 GLY C . 50620 1 594 . 1 . 1 132 132 GLY CA C 13 45.254 0.023 . 1 . . . . . 130 GLY CA . 50620 1 595 . 1 . 1 132 132 GLY N N 15 109.814 0.020 . 1 . . . . . 130 GLY N . 50620 1 596 . 1 . 1 133 133 ALA H H 1 8.243 0.001 . 1 . . . . . 131 ALA H . 50620 1 597 . 1 . 1 133 133 ALA C C 13 178.306 0.006 . 1 . . . . . 131 ALA C . 50620 1 598 . 1 . 1 133 133 ALA CA C 13 52.681 0.016 . 1 . . . . . 131 ALA CA . 50620 1 599 . 1 . 1 133 133 ALA CB C 13 19.384 0.003 . 1 . . . . . 131 ALA CB . 50620 1 600 . 1 . 1 133 133 ALA N N 15 123.821 0.006 . 1 . . . . . 131 ALA N . 50620 1 601 . 1 . 1 134 134 GLY H H 1 8.442 0.001 . 1 . . . . . 132 GLY H . 50620 1 602 . 1 . 1 134 134 GLY C C 13 174.708 0.004 . 1 . . . . . 132 GLY C . 50620 1 603 . 1 . 1 134 134 GLY CA C 13 45.418 0.007 . 1 . . . . . 132 GLY CA . 50620 1 604 . 1 . 1 134 134 GLY N N 15 108.105 0.024 . 1 . . . . . 132 GLY N . 50620 1 605 . 1 . 1 135 135 GLY H H 1 8.228 0.001 . 1 . . . . . 133 GLY H . 50620 1 606 . 1 . 1 135 135 GLY C C 13 173.976 0.001 . 1 . . . . . 133 GLY C . 50620 1 607 . 1 . 1 135 135 GLY CA C 13 45.284 0.006 . 1 . . . . . 133 GLY CA . 50620 1 608 . 1 . 1 135 135 GLY N N 15 108.426 0.004 . 1 . . . . . 133 GLY N . 50620 1 609 . 1 . 1 136 136 HIS H H 1 8.200 0.001 . 1 . . . . . 134 HIS H . 50620 1 610 . 1 . 1 136 136 HIS C C 13 175.136 0.010 . 1 . . . . . 134 HIS C . 50620 1 611 . 1 . 1 136 136 HIS CA C 13 55.974 0.017 . 1 . . . . . 134 HIS CA . 50620 1 612 . 1 . 1 136 136 HIS CB C 13 30.582 0.070 . 1 . . . . . 134 HIS CB . 50620 1 613 . 1 . 1 136 136 HIS N N 15 118.964 0.009 . 1 . . . . . 134 HIS N . 50620 1 614 . 1 . 1 137 137 SER H H 1 8.297 0.006 . 1 . . . . . 135 SER H . 50620 1 615 . 1 . 1 137 137 SER C C 13 174.148 0.000 . 1 . . . . . 135 SER C . 50620 1 616 . 1 . 1 137 137 SER CA C 13 58.218 0.036 . 1 . . . . . 135 SER CA . 50620 1 617 . 1 . 1 137 137 SER CB C 13 63.776 0.021 . 1 . . . . . 135 SER CB . 50620 1 618 . 1 . 1 137 137 SER N N 15 117.036 0.014 . 1 . . . . . 135 SER N . 50620 1 619 . 1 . 1 138 138 TYR H H 1 8.327 0.001 . 1 . . . . . 136 TYR H . 50620 1 620 . 1 . 1 138 138 TYR C C 13 176.326 0.001 . 1 . . . . . 136 TYR C . 50620 1 621 . 1 . 1 138 138 TYR CA C 13 58.211 0.017 . 1 . . . . . 136 TYR CA . 50620 1 622 . 1 . 1 138 138 TYR CB C 13 38.792 0.009 . 1 . . . . . 136 TYR CB . 50620 1 623 . 1 . 1 138 138 TYR N N 15 122.263 0.014 . 1 . . . . . 136 TYR N . 50620 1 624 . 1 . 1 139 139 GLY H H 1 8.356 0.001 . 1 . . . . . 137 GLY H . 50620 1 625 . 1 . 1 139 139 GLY C C 13 173.988 0.000 . 1 . . . . . 137 GLY C . 50620 1 626 . 1 . 1 139 139 GLY CA C 13 45.409 0.006 . 1 . . . . . 137 GLY CA . 50620 1 627 . 1 . 1 139 139 GLY N N 15 110.534 0.010 . 1 . . . . . 137 GLY N . 50620 1 628 . 1 . 1 140 140 ALA H H 1 8.109 0.001 . 1 . . . . . 138 ALA H . 50620 1 629 . 1 . 1 140 140 ALA C C 13 177.437 0.002 . 1 . . . . . 138 ALA C . 50620 1 630 . 1 . 1 140 140 ALA CA C 13 52.772 0.011 . 1 . . . . . 138 ALA CA . 50620 1 631 . 1 . 1 140 140 ALA CB C 13 19.393 0.002 . 1 . . . . . 138 ALA CB . 50620 1 632 . 1 . 1 140 140 ALA N N 15 123.663 0.005 . 1 . . . . . 138 ALA N . 50620 1 633 . 1 . 1 141 141 ASP H H 1 8.351 0.001 . 1 . . . . . 139 ASP H . 50620 1 634 . 1 . 1 141 141 ASP C C 13 176.222 0.004 . 1 . . . . . 139 ASP C . 50620 1 635 . 1 . 1 141 141 ASP CA C 13 54.242 0.009 . 1 . . . . . 139 ASP CA . 50620 1 636 . 1 . 1 141 141 ASP CB C 13 40.965 0.013 . 1 . . . . . 139 ASP CB . 50620 1 637 . 1 . 1 141 141 ASP N N 15 118.656 0.011 . 1 . . . . . 139 ASP N . 50620 1 638 . 1 . 1 142 142 LEU H H 1 8.046 0.001 . 1 . . . . . 140 LEU H . 50620 1 639 . 1 . 1 142 142 LEU C C 13 177.435 0.001 . 1 . . . . . 140 LEU C . 50620 1 640 . 1 . 1 142 142 LEU CA C 13 55.445 0.023 . 1 . . . . . 140 LEU CA . 50620 1 641 . 1 . 1 142 142 LEU CB C 13 42.133 0.013 . 1 . . . . . 140 LEU CB . 50620 1 642 . 1 . 1 142 142 LEU N N 15 122.225 0.009 . 1 . . . . . 140 LEU N . 50620 1 643 . 1 . 1 143 143 LYS H H 1 8.246 0.001 . 1 . . . . . 141 LYS H . 50620 1 644 . 1 . 1 143 143 LYS C C 13 176.587 0.003 . 1 . . . . . 141 LYS C . 50620 1 645 . 1 . 1 143 143 LYS CA C 13 56.392 0.017 . 1 . . . . . 141 LYS CA . 50620 1 646 . 1 . 1 143 143 LYS CB C 13 32.856 0.000 . 1 . . . . . 141 LYS CB . 50620 1 647 . 1 . 1 143 143 LYS N N 15 121.307 0.016 . 1 . . . . . 141 LYS N . 50620 1 648 . 1 . 1 144 144 SER H H 1 8.114 0.001 . 1 . . . . . 142 SER H . 50620 1 649 . 1 . 1 144 144 SER C C 13 174.169 0.002 . 1 . . . . . 142 SER C . 50620 1 650 . 1 . 1 144 144 SER CA C 13 58.375 0.011 . 1 . . . . . 142 SER CA . 50620 1 651 . 1 . 1 144 144 SER CB C 13 63.807 0.008 . 1 . . . . . 142 SER CB . 50620 1 652 . 1 . 1 144 144 SER N N 15 116.101 0.015 . 1 . . . . . 142 SER N . 50620 1 653 . 1 . 1 145 145 PHE H H 1 8.136 0.001 . 1 . . . . . 143 PHE H . 50620 1 654 . 1 . 1 145 145 PHE C C 13 175.156 0.004 . 1 . . . . . 143 PHE C . 50620 1 655 . 1 . 1 145 145 PHE CA C 13 57.729 0.018 . 1 . . . . . 143 PHE CA . 50620 1 656 . 1 . 1 145 145 PHE CB C 13 39.707 0.006 . 1 . . . . . 143 PHE CB . 50620 1 657 . 1 . 1 145 145 PHE N N 15 121.653 0.015 . 1 . . . . . 143 PHE N . 50620 1 658 . 1 . 1 146 146 ASP H H 1 8.282 0.001 . 1 . . . . . 144 ASP H . 50620 1 659 . 1 . 1 146 146 ASP C C 13 176.017 0.002 . 1 . . . . . 144 ASP C . 50620 1 660 . 1 . 1 146 146 ASP CA C 13 54.197 0.007 . 1 . . . . . 144 ASP CA . 50620 1 661 . 1 . 1 146 146 ASP CB C 13 41.503 0.013 . 1 . . . . . 144 ASP CB . 50620 1 662 . 1 . 1 146 146 ASP N N 15 121.831 0.008 . 1 . . . . . 144 ASP N . 50620 1 663 . 1 . 1 147 147 LEU H H 1 8.217 0.001 . 1 . . . . . 145 LEU H . 50620 1 664 . 1 . 1 147 147 LEU C C 13 178.019 0.008 . 1 . . . . . 145 LEU C . 50620 1 665 . 1 . 1 147 147 LEU CA C 13 55.522 0.010 . 1 . . . . . 145 LEU CA . 50620 1 666 . 1 . 1 147 147 LEU CB C 13 42.314 0.011 . 1 . . . . . 145 LEU CB . 50620 1 667 . 1 . 1 147 147 LEU N N 15 122.818 0.018 . 1 . . . . . 145 LEU N . 50620 1 668 . 1 . 1 148 148 GLY H H 1 8.429 0.001 . 1 . . . . . 146 GLY H . 50620 1 669 . 1 . 1 148 148 GLY C C 13 174.130 0.002 . 1 . . . . . 146 GLY C . 50620 1 670 . 1 . 1 148 148 GLY CA C 13 45.546 0.009 . 1 . . . . . 146 GLY CA . 50620 1 671 . 1 . 1 148 148 GLY N N 15 109.116 0.015 . 1 . . . . . 146 GLY N . 50620 1 672 . 1 . 1 149 149 ASP H H 1 8.204 0.001 . 1 . . . . . 147 ASP H . 50620 1 673 . 1 . 1 149 149 ASP C C 13 176.514 0.003 . 1 . . . . . 147 ASP C . 50620 1 674 . 1 . 1 149 149 ASP CA C 13 54.461 0.009 . 1 . . . . . 147 ASP CA . 50620 1 675 . 1 . 1 149 149 ASP CB C 13 41.400 0.012 . 1 . . . . . 147 ASP CB . 50620 1 676 . 1 . 1 149 149 ASP N N 15 120.451 0.009 . 1 . . . . . 147 ASP N . 50620 1 677 . 1 . 1 150 150 GLU H H 1 8.458 0.001 . 1 . . . . . 148 GLU H . 50620 1 678 . 1 . 1 150 150 GLU C C 13 176.659 0.005 . 1 . . . . . 148 GLU C . 50620 1 679 . 1 . 1 150 150 GLU CA C 13 56.846 0.046 . 1 . . . . . 148 GLU CA . 50620 1 680 . 1 . 1 150 150 GLU CB C 13 30.038 0.010 . 1 . . . . . 148 GLU CB . 50620 1 681 . 1 . 1 150 150 GLU N N 15 120.850 0.006 . 1 . . . . . 148 GLU N . 50620 1 682 . 1 . 1 151 151 LEU H H 1 8.268 0.000 . 1 . . . . . 149 LEU H . 50620 1 683 . 1 . 1 151 151 LEU C C 13 178.032 0.005 . 1 . . . . . 149 LEU C . 50620 1 684 . 1 . 1 151 151 LEU CA C 13 55.424 0.011 . 1 . . . . . 149 LEU CA . 50620 1 685 . 1 . 1 151 151 LEU CB C 13 42.387 0.022 . 1 . . . . . 149 LEU CB . 50620 1 686 . 1 . 1 151 151 LEU N N 15 122.426 0.020 . 1 . . . . . 149 LEU N . 50620 1 687 . 1 . 1 152 152 GLY H H 1 8.367 0.001 . 1 . . . . . 150 GLY H . 50620 1 688 . 1 . 1 152 152 GLY C C 13 174.221 0.000 . 1 . . . . . 150 GLY C . 50620 1 689 . 1 . 1 152 152 GLY CA C 13 45.425 0.008 . 1 . . . . . 150 GLY CA . 50620 1 690 . 1 . 1 152 152 GLY N N 15 109.315 0.012 . 1 . . . . . 150 GLY N . 50620 1 691 . 1 . 1 153 153 THR H H 1 7.983 0.001 . 1 . . . . . 151 THR H . 50620 1 692 . 1 . 1 153 153 THR C C 13 174.169 0.014 . 1 . . . . . 151 THR C . 50620 1 693 . 1 . 1 153 153 THR CA C 13 61.591 0.025 . 1 . . . . . 151 THR CA . 50620 1 694 . 1 . 1 153 153 THR CB C 13 70.078 0.019 . 1 . . . . . 151 THR CB . 50620 1 695 . 1 . 1 153 153 THR N N 15 113.155 0.007 . 1 . . . . . 151 THR N . 50620 1 696 . 1 . 1 154 154 ASP H H 1 8.481 0.001 . 1 . . . . . 152 ASP H . 50620 1 697 . 1 . 1 154 154 ASP C C 13 174.809 0.000 . 1 . . . . . 152 ASP C . 50620 1 698 . 1 . 1 154 154 ASP CA C 13 52.417 0.004 . 1 . . . . . 152 ASP CA . 50620 1 699 . 1 . 1 154 154 ASP CB C 13 41.390 0.000 . 1 . . . . . 152 ASP CB . 50620 1 700 . 1 . 1 154 154 ASP N N 15 124.473 0.010 . 1 . . . . . 152 ASP N . 50620 1 701 . 1 . 1 155 155 PRO C C 13 176.847 0.000 . 1 . . . . . 153 PRO C . 50620 1 702 . 1 . 1 155 155 PRO CA C 13 63.533 0.013 . 1 . . . . . 153 PRO CA . 50620 1 703 . 1 . 1 155 155 PRO CB C 13 31.978 0.000 . 1 . . . . . 153 PRO CB . 50620 1 704 . 1 . 1 156 156 TYR H H 1 8.232 0.001 . 1 . . . . . 154 TYR H . 50620 1 705 . 1 . 1 156 156 TYR C C 13 176.020 0.010 . 1 . . . . . 154 TYR C . 50620 1 706 . 1 . 1 156 156 TYR CA C 13 58.051 0.017 . 1 . . . . . 154 TYR CA . 50620 1 707 . 1 . 1 156 156 TYR CB C 13 38.350 0.003 . 1 . . . . . 154 TYR CB . 50620 1 708 . 1 . 1 156 156 TYR N N 15 119.353 0.026 . 1 . . . . . 154 TYR N . 50620 1 709 . 1 . 1 157 157 GLU H H 1 7.938 0.001 . 1 . . . . . 155 GLU H . 50620 1 710 . 1 . 1 157 157 GLU C C 13 175.852 0.032 . 1 . . . . . 155 GLU C . 50620 1 711 . 1 . 1 157 157 GLU CA C 13 56.809 0.013 . 1 . . . . . 155 GLU CA . 50620 1 712 . 1 . 1 157 157 GLU CB C 13 30.589 0.003 . 1 . . . . . 155 GLU CB . 50620 1 713 . 1 . 1 157 157 GLU N N 15 121.964 0.017 . 1 . . . . . 155 GLU N . 50620 1 714 . 1 . 1 158 158 ASP H H 1 8.228 0.002 . 1 . . . . . 156 ASP H . 50620 1 715 . 1 . 1 158 158 ASP C C 13 176.098 0.009 . 1 . . . . . 156 ASP C . 50620 1 716 . 1 . 1 158 158 ASP CA C 13 54.364 0.013 . 1 . . . . . 156 ASP CA . 50620 1 717 . 1 . 1 158 158 ASP CB C 13 41.229 0.010 . 1 . . . . . 156 ASP CB . 50620 1 718 . 1 . 1 158 158 ASP N N 15 121.074 0.012 . 1 . . . . . 156 ASP N . 50620 1 719 . 1 . 1 159 159 PHE H H 1 8.114 0.001 . 1 . . . . . 157 PHE H . 50620 1 720 . 1 . 1 159 159 PHE C C 13 175.905 0.002 . 1 . . . . . 157 PHE C . 50620 1 721 . 1 . 1 159 159 PHE CA C 13 58.293 0.005 . 1 . . . . . 157 PHE CA . 50620 1 722 . 1 . 1 159 159 PHE CB C 13 39.292 0.006 . 1 . . . . . 157 PHE CB . 50620 1 723 . 1 . 1 159 159 PHE N N 15 120.774 0.014 . 1 . . . . . 157 PHE N . 50620 1 724 . 1 . 1 160 160 GLN H H 1 8.105 0.002 . 1 . . . . . 158 GLN H . 50620 1 725 . 1 . 1 160 160 GLN C C 13 175.965 0.001 . 1 . . . . . 158 GLN C . 50620 1 726 . 1 . 1 160 160 GLN CA C 13 56.101 0.014 . 1 . . . . . 158 GLN CA . 50620 1 727 . 1 . 1 160 160 GLN CB C 13 29.412 0.010 . 1 . . . . . 158 GLN CB . 50620 1 728 . 1 . 1 160 160 GLN N N 15 121.303 0.021 . 1 . . . . . 158 GLN N . 50620 1 729 . 1 . 1 161 161 GLU H H 1 8.290 0.001 . 1 . . . . . 159 GLU H . 50620 1 730 . 1 . 1 161 161 GLU C C 13 176.524 0.005 . 1 . . . . . 159 GLU C . 50620 1 731 . 1 . 1 161 161 GLU CA C 13 57.084 0.007 . 1 . . . . . 159 GLU CA . 50620 1 732 . 1 . 1 161 161 GLU CB C 13 29.971 0.003 . 1 . . . . . 159 GLU CB . 50620 1 733 . 1 . 1 161 161 GLU N N 15 121.164 0.009 . 1 . . . . . 159 GLU N . 50620 1 734 . 1 . 1 162 162 ASN H H 1 8.332 0.001 . 1 . . . . . 160 ASN H . 50620 1 735 . 1 . 1 162 162 ASN C C 13 175.500 0.003 . 1 . . . . . 160 ASN C . 50620 1 736 . 1 . 1 162 162 ASN CA C 13 53.617 0.010 . 1 . . . . . 160 ASN CA . 50620 1 737 . 1 . 1 162 162 ASN CB C 13 38.784 0.013 . 1 . . . . . 160 ASN CB . 50620 1 738 . 1 . 1 162 162 ASN N N 15 118.772 0.019 . 1 . . . . . 160 ASN N . 50620 1 739 . 1 . 1 163 163 TRP H H 1 8.116 0.005 . 1 . . . . . 161 TRP H . 50620 1 740 . 1 . 1 163 163 TRP C C 13 176.527 0.006 . 1 . . . . . 161 TRP C . 50620 1 741 . 1 . 1 163 163 TRP CA C 13 58.171 0.019 . 1 . . . . . 161 TRP CA . 50620 1 742 . 1 . 1 163 163 TRP CB C 13 29.307 0.019 . 1 . . . . . 161 TRP CB . 50620 1 743 . 1 . 1 163 163 TRP N N 15 121.317 0.019 . 1 . . . . . 161 TRP N . 50620 1 744 . 1 . 1 164 164 ASN H H 1 8.241 0.003 . 1 . . . . . 162 ASN H . 50620 1 745 . 1 . 1 164 164 ASN C C 13 175.791 0.001 . 1 . . . . . 162 ASN C . 50620 1 746 . 1 . 1 164 164 ASN CA C 13 53.805 0.016 . 1 . . . . . 162 ASN CA . 50620 1 747 . 1 . 1 164 164 ASN CB C 13 38.542 0.011 . 1 . . . . . 162 ASN CB . 50620 1 748 . 1 . 1 164 164 ASN N N 15 119.047 0.006 . 1 . . . . . 162 ASN N . 50620 1 749 . 1 . 1 165 165 THR H H 1 7.946 0.002 . 1 . . . . . 163 THR H . 50620 1 750 . 1 . 1 165 165 THR C C 13 174.929 0.005 . 1 . . . . . 163 THR C . 50620 1 751 . 1 . 1 165 165 THR CA C 13 62.569 0.007 . 1 . . . . . 163 THR CA . 50620 1 752 . 1 . 1 165 165 THR CB C 13 69.556 0.006 . 1 . . . . . 163 THR CB . 50620 1 753 . 1 . 1 165 165 THR N N 15 113.727 0.003 . 1 . . . . . 163 THR N . 50620 1 754 . 1 . 1 166 166 LYS H H 1 8.108 0.002 . 1 . . . . . 164 LYS H . 50620 1 755 . 1 . 1 166 166 LYS C C 13 176.557 0.004 . 1 . . . . . 164 LYS C . 50620 1 756 . 1 . 1 166 166 LYS CA C 13 56.747 0.029 . 1 . . . . . 164 LYS CA . 50620 1 757 . 1 . 1 166 166 LYS CB C 13 32.803 0.002 . 1 . . . . . 164 LYS CB . 50620 1 758 . 1 . 1 166 166 LYS N N 15 122.568 0.007 . 1 . . . . . 164 LYS N . 50620 1 759 . 1 . 1 167 167 HIS H H 1 8.204 0.003 . 1 . . . . . 165 HIS H . 50620 1 760 . 1 . 1 167 167 HIS C C 13 175.333 0.009 . 1 . . . . . 165 HIS C . 50620 1 761 . 1 . 1 167 167 HIS CA C 13 56.110 0.031 . 1 . . . . . 165 HIS CA . 50620 1 762 . 1 . 1 167 167 HIS CB C 13 30.306 0.019 . 1 . . . . . 165 HIS CB . 50620 1 763 . 1 . 1 167 167 HIS N N 15 119.571 0.009 . 1 . . . . . 165 HIS N . 50620 1 764 . 1 . 1 168 168 SER H H 1 8.240 0.004 . 1 . . . . . 166 SER H . 50620 1 765 . 1 . 1 168 168 SER C C 13 174.713 0.000 . 1 . . . . . 166 SER C . 50620 1 766 . 1 . 1 168 168 SER CA C 13 58.484 0.028 . 1 . . . . . 166 SER CA . 50620 1 767 . 1 . 1 168 168 SER CB C 13 63.842 0.000 . 1 . . . . . 166 SER CB . 50620 1 768 . 1 . 1 168 168 SER N N 15 116.986 0.020 . 1 . . . . . 166 SER N . 50620 1 769 . 1 . 1 169 169 SER H H 1 8.470 0.005 . 1 . . . . . 167 SER H . 50620 1 770 . 1 . 1 169 169 SER C C 13 175.092 0.003 . 1 . . . . . 167 SER C . 50620 1 771 . 1 . 1 169 169 SER CA C 13 58.772 0.021 . 1 . . . . . 167 SER CA . 50620 1 772 . 1 . 1 169 169 SER CB C 13 63.879 0.005 . 1 . . . . . 167 SER CB . 50620 1 773 . 1 . 1 169 169 SER N N 15 117.900 0.012 . 1 . . . . . 167 SER N . 50620 1 774 . 1 . 1 170 170 GLY H H 1 8.419 0.002 . 1 . . . . . 168 GLY H . 50620 1 775 . 1 . 1 170 170 GLY C C 13 174.218 0.011 . 1 . . . . . 168 GLY C . 50620 1 776 . 1 . 1 170 170 GLY CA C 13 45.504 0.006 . 1 . . . . . 168 GLY CA . 50620 1 777 . 1 . 1 170 170 GLY N N 15 110.734 0.040 . 1 . . . . . 168 GLY N . 50620 1 778 . 1 . 1 171 171 VAL H H 1 7.960 0.001 . 1 . . . . . 169 VAL H . 50620 1 779 . 1 . 1 171 171 VAL C C 13 176.511 0.009 . 1 . . . . . 169 VAL C . 50620 1 780 . 1 . 1 171 171 VAL CA C 13 62.607 0.007 . 1 . . . . . 169 VAL CA . 50620 1 781 . 1 . 1 171 171 VAL CB C 13 32.755 0.000 . 1 . . . . . 169 VAL CB . 50620 1 782 . 1 . 1 171 171 VAL N N 15 119.431 0.007 . 1 . . . . . 169 VAL N . 50620 1 783 . 1 . 1 172 172 THR H H 1 8.114 0.001 . 1 . . . . . 170 THR H . 50620 1 784 . 1 . 1 172 172 THR C C 13 174.739 0.005 . 1 . . . . . 170 THR C . 50620 1 785 . 1 . 1 172 172 THR CA C 13 62.228 0.027 . 1 . . . . . 170 THR CA . 50620 1 786 . 1 . 1 172 172 THR CB C 13 69.817 0.021 . 1 . . . . . 170 THR CB . 50620 1 787 . 1 . 1 172 172 THR N N 15 117.895 0.007 . 1 . . . . . 170 THR N . 50620 1 788 . 1 . 1 173 173 ARG H H 1 8.397 0.001 . 1 . . . . . 171 ARG H . 50620 1 789 . 1 . 1 173 173 ARG C C 13 176.746 0.004 . 1 . . . . . 171 ARG C . 50620 1 790 . 1 . 1 173 173 ARG CA C 13 56.976 0.007 . 1 . . . . . 171 ARG CA . 50620 1 791 . 1 . 1 173 173 ARG CB C 13 30.664 0.005 . 1 . . . . . 171 ARG CB . 50620 1 792 . 1 . 1 173 173 ARG N N 15 123.295 0.009 . 1 . . . . . 171 ARG N . 50620 1 793 . 1 . 1 174 174 GLU H H 1 8.444 0.001 . 1 . . . . . 172 GLU H . 50620 1 794 . 1 . 1 174 174 GLU C C 13 176.862 0.010 . 1 . . . . . 172 GLU C . 50620 1 795 . 1 . 1 174 174 GLU CA C 13 57.348 0.017 . 1 . . . . . 172 GLU CA . 50620 1 796 . 1 . 1 174 174 GLU CB C 13 29.950 0.003 . 1 . . . . . 172 GLU CB . 50620 1 797 . 1 . 1 174 174 GLU N N 15 121.321 0.007 . 1 . . . . . 172 GLU N . 50620 1 798 . 1 . 1 175 175 LEU H H 1 8.140 0.001 . 1 . . . . . 173 LEU H . 50620 1 799 . 1 . 1 175 175 LEU C C 13 177.725 0.003 . 1 . . . . . 173 LEU C . 50620 1 800 . 1 . 1 175 175 LEU CA C 13 55.771 0.011 . 1 . . . . . 173 LEU CA . 50620 1 801 . 1 . 1 175 175 LEU CB C 13 42.239 0.017 . 1 . . . . . 173 LEU CB . 50620 1 802 . 1 . 1 175 175 LEU N N 15 122.581 0.004 . 1 . . . . . 173 LEU N . 50620 1 803 . 1 . 1 176 176 MET H H 1 8.250 0.001 . 1 . . . . . 174 MET H . 50620 1 804 . 1 . 1 176 176 MET C C 13 176.584 0.001 . 1 . . . . . 174 MET C . 50620 1 805 . 1 . 1 176 176 MET CA C 13 56.054 0.025 . 1 . . . . . 174 MET CA . 50620 1 806 . 1 . 1 176 176 MET CB C 13 32.476 0.048 . 1 . . . . . 174 MET CB . 50620 1 807 . 1 . 1 176 176 MET N N 15 120.254 0.011 . 1 . . . . . 174 MET N . 50620 1 808 . 1 . 1 177 177 ARG H H 1 8.147 0.001 . 1 . . . . . 175 ARG H . 50620 1 809 . 1 . 1 177 177 ARG C C 13 176.702 0.015 . 1 . . . . . 175 ARG C . 50620 1 810 . 1 . 1 177 177 ARG CA C 13 56.869 0.006 . 1 . . . . . 175 ARG CA . 50620 1 811 . 1 . 1 177 177 ARG CB C 13 30.773 0.006 . 1 . . . . . 175 ARG CB . 50620 1 812 . 1 . 1 177 177 ARG N N 15 121.567 0.007 . 1 . . . . . 175 ARG N . 50620 1 813 . 1 . 1 178 178 GLU H H 1 8.364 0.002 . 1 . . . . . 176 GLU H . 50620 1 814 . 1 . 1 178 178 GLU C C 13 176.963 0.003 . 1 . . . . . 176 GLU C . 50620 1 815 . 1 . 1 178 178 GLU CA C 13 57.057 0.043 . 1 . . . . . 176 GLU CA . 50620 1 816 . 1 . 1 178 178 GLU CB C 13 30.063 0.012 . 1 . . . . . 176 GLU CB . 50620 1 817 . 1 . 1 178 178 GLU N N 15 121.275 0.005 . 1 . . . . . 176 GLU N . 50620 1 818 . 1 . 1 179 179 LEU H H 1 8.245 0.000 . 1 . . . . . 177 LEU H . 50620 1 819 . 1 . 1 179 179 LEU C C 13 177.489 0.001 . 1 . . . . . 177 LEU C . 50620 1 820 . 1 . 1 179 179 LEU CA C 13 55.574 0.012 . 1 . . . . . 177 LEU CA . 50620 1 821 . 1 . 1 179 179 LEU CB C 13 42.273 0.016 . 1 . . . . . 177 LEU CB . 50620 1 822 . 1 . 1 179 179 LEU N N 15 122.485 0.006 . 1 . . . . . 177 LEU N . 50620 1 823 . 1 . 1 180 180 ASN H H 1 8.380 0.001 . 1 . . . . . 178 ASN H . 50620 1 824 . 1 . 1 180 180 ASN C C 13 175.636 0.003 . 1 . . . . . 178 ASN C . 50620 1 825 . 1 . 1 180 180 ASN CA C 13 53.470 0.009 . 1 . . . . . 178 ASN CA . 50620 1 826 . 1 . 1 180 180 ASN CB C 13 39.115 0.010 . 1 . . . . . 178 ASN CB . 50620 1 827 . 1 . 1 180 180 ASN N N 15 118.681 0.006 . 1 . . . . . 178 ASN N . 50620 1 828 . 1 . 1 181 181 GLY H H 1 8.297 0.001 . 1 . . . . . 179 GLY H . 50620 1 829 . 1 . 1 181 181 GLY C C 13 173.803 0.002 . 1 . . . . . 179 GLY C . 50620 1 830 . 1 . 1 181 181 GLY CA C 13 45.566 0.011 . 1 . . . . . 179 GLY CA . 50620 1 831 . 1 . 1 181 181 GLY N N 15 109.574 0.005 . 1 . . . . . 179 GLY N . 50620 1 832 . 1 . 1 182 182 GLY H H 1 7.973 0.001 . 1 . . . . . 180 GLY H . 50620 1 833 . 1 . 1 182 182 GLY C C 13 179.102 0.000 . 1 . . . . . 180 GLY C . 50620 1 834 . 1 . 1 182 182 GLY CA C 13 46.066 0.001 . 1 . . . . . 180 GLY CA . 50620 1 835 . 1 . 1 182 182 GLY N N 15 115.141 0.007 . 1 . . . . . 180 GLY N . 50620 1 stop_ save_